smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(c5ccc(OC)cc5)CC4)CC3)sc2n1 8933871 PQTPEZKGPIXWSP-UHFFFAOYSA-N 496.637 2.677 10 10 JFCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 16908210 PJNLSKSHPSFANA-LFIBNONCSA-N 473.488 2.995 10 10 JFCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152424 SVAINKIMIKITDF-CMHHUMAZSA-N 451.526 2.946 10 10 JFCE O=C(O)CCCCN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O 101974003 GPYBLUPZHPGBSC-CKXDQPNJSA-N 452.941 2.924 10 10 JFCE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103099305 BVUDOHAXVORKLL-YPCMJIQLSA-N 494.489 2.723 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 210701023 FYTJEWZFVMRAFH-LFIBNONCSA-N 465.553 2.703 10 10 JFCE COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(C)c1 1211461952 SKPJISAQZBMVPK-UHFFFAOYSA-N 450.557 2.849 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)cc2)CC1 1296400288 PTZWWIAHXIFIEX-BGYRXZFFSA-N 450.583 2.899 10 10 JFCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871510951 GMJRURWRGAPTKM-UHFFFAOYSA-N 484.004 2.814 10 10 JFCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C=O)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40318449 QUWGXBMFWSSVQP-RPWUZVMVSA-N 474.623 2.774 10 10 JFCE COC[C@H]1[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCCN1Cc1ccccc1 1614594515 GLGZKXGIKHGYEJ-UIOOFZCWSA-N 450.627 2.982 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3c(OC)cccc3OC)CC2)cc1 1862124729 ZBMANGINYLSBKP-FQEVSTJZSA-N 487.622 2.913 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865029031 DNLVBLPCBJCZEC-OAQYLSRUSA-N 477.565 2.965 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865031029 XKFPXNSJCIVEAS-OAQYLSRUSA-N 496.539 2.580 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865034003 MXZAKWSFROCWDK-PGUXBMHVSA-N 482.459 2.663 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865035105 LDEDBIUIEHFQKY-OAQYLSRUSA-N 483.613 2.760 10 10 JFCE O=C(CSCc1cc(=O)n2ncsc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179044 JUADKDTZMWAPEM-UHFFFAOYSA-N 462.512 2.798 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136241181 WAYYBQLROFKNJZ-OAGGEKHMSA-N 465.547 2.563 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(CC)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 651090 YMFZCZGUBKJPEX-CVGPFBNFSA-N 493.633 2.698 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)CCSc4ccccc43)CC2)cc1 9833375 QPMCGPFKWDIRMS-UHFFFAOYSA-N 468.623 2.853 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1861917829 CCGCBCXAYFPCDJ-NRFANRHFSA-N 472.567 2.804 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccco4)n(C)n3)C(C)C)CC2)cc1 1869034127 GYNRHVIHJWWFRP-QHCPKHFHSA-N 465.554 2.792 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCO)nc12 2053497429 JUIDPSDRVIPQQJ-UHFFFAOYSA-N 496.570 2.537 10 10 JFCE CCCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399815 DVHUPMWKPINGJP-UHFFFAOYSA-N 485.635 2.706 10 10 JFCE CC(C)CCOC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944808 GKGTUAAVJQMAIB-UHFFFAOYSA-N 462.549 2.669 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 210459556 XSLDSZRMSDTOLY-BOPFTXTBSA-N 494.572 2.643 10 10 JFCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858612380 ZHZARQPWGZFLCC-UHFFFAOYSA-N 451.416 2.881 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868726980 PHFSWQIHJSMRSZ-IBGZPJMESA-N 467.566 2.643 10 10 JFCE CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868776354 HYZXVNAKGBTEGN-OAQYLSRUSA-N 474.508 2.546 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C 2068621122 MHGCQZRHUJMAGQ-UHFFFAOYSA-N 453.492 2.648 10 10 JFCE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074387 SETZBBZUHHNBDG-QHCPKHFHSA-N 472.611 2.908 10 10 JFCE CC1(C)OC(=O)C(=Cc2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)O1 59422470 BHFCUPWNWKQLTO-UHFFFAOYSA-N 453.436 2.941 10 10 JFCE COc1ccc(N2CCN(C(=O)CN3C(=O)CCn4nc(-c5ccc(C)cc5)cc43)CC2)cc1 64817787 ABHUHJXJAJCKBR-UHFFFAOYSA-N 459.550 2.953 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](Cc1ccccc1)n1cnnn1 107981358 MCIYQIRBDRWOQQ-FQEVSTJZSA-N 460.460 2.629 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)CCc4cccc(OC)c4)C3)CC2)cc1 1858392182 ZMRSTWVCDKOCTI-OAQYLSRUSA-N 451.567 2.834 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865033206 UQSHPPZXQXUIPK-JOCHJYFZSA-N 490.560 2.832 10 10 JFCE COC(=O)CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 2314717526 SVNZDTSUBIQNQP-UHFFFAOYSA-N 487.946 2.776 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1741051780 KJCXXWLBXJZRHN-QGZVFWFLSA-N 451.550 2.574 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862044050 BXZMDSKHEVWNHF-JOCHJYFZSA-N 468.510 2.565 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864010162 JETMOHAJQBCXNG-FQEVSTJZSA-N 464.522 2.803 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864021347 AZQGTFBMEHKABS-FQEVSTJZSA-N 494.548 2.744 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865030612 NEUVIJNEMJQSGQ-FQEVSTJZSA-N 469.586 2.514 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032943 OIWNBIVOVKAPPE-OAQYLSRUSA-N 478.549 2.690 10 10 JFCE CN(C)c1ccc([C@@H](NC(=O)CCCN2C(=O)Cc3ccccc3C2=O)c2nccn2C)cc1 1866216968 OUQGZBLVHJNLNI-XMMPIXPASA-N 459.550 2.697 10 10 JFCE CCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869045868 GKDWVQXMAPQADD-HSZRJFAPSA-N 491.592 2.910 10 10 JFCE CCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 2295927357 CRTJTDGKZHOATP-UHFFFAOYSA-N 461.474 2.753 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1OC 2314833792 WHYKXMZCFZNWJN-HNNXBMFYSA-N 498.538 2.935 10 10 JFCE COc1cccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1OC 2323840781 WDAUCXNBQJZUTI-UHFFFAOYSA-N 464.590 2.795 10 10 JFCE CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c2cccnc21 21153125 RZTYHDGASQRSOW-UHFFFAOYSA-N 457.534 2.622 10 10 JFCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066481 XRQNGVLUGRSEEX-NVMNQCDNSA-N 498.586 2.955 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCN(C)C)CC1 1540963037 WTVWIQWNRYQFLQ-UHFFFAOYSA-N 493.656 2.989 10 10 JFCE CC(C)N1C[C@H](NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1=O 1860347306 IYGJPBLBOOACCZ-DNOBIOAJSA-N 485.588 2.914 10 10 JFCE CCC[C@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861988937 FGYYPRKKNNZSOU-QHCPKHFHSA-N 468.598 2.760 10 10 JFCE COc1ccc([C@H](C)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079843183 DURHRXXGGNGPOB-LURJTMIESA-N 455.174 2.929 10 10 JFCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H](Cc4cnc[nH]4)C(=O)O)C3=O)n12 1858587286 TVYHDQWMSJGPJC-RGTFSGHUSA-N 453.958 2.978 10 10 JFCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4cccn(C)c4=O)CC3)c2)c1 1860880544 OIJJNMNSSIIJCH-UHFFFAOYSA-N 473.577 2.662 10 10 JFCE CC[C@H](NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862166854 YBPNOIALAFDDLD-KJWPAHLWSA-N 492.620 2.848 10 10 JFCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018232 GHFFHSBSQXBMFE-FQEVSTJZSA-N 498.967 2.752 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864021299 AAZYGXXCSMYYHR-MRXNPFEDSA-N 497.518 2.732 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccccc3)CC2)cc1 1865014796 NTZNYGSGMDCSCY-JOCHJYFZSA-N 459.550 2.781 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N21 2297345479 AKLMJHBYAFQROB-UHFFFAOYSA-N 498.542 2.926 10 10 JFCE CCOc1cccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1O 2323686597 SRHFNQSGFQPBGL-UHFFFAOYSA-N 450.563 2.840 10 10 JFCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccccn3)CC2)cc1 20289371 DROMAFYGSKVGSV-CYFREDJKSA-N 493.633 2.836 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33350087 AXHXXGSYRWZLTF-SAPNQHFASA-N 485.635 2.788 10 10 JFCE O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cc2)CCN1 247504462 RAJHRYOQMHZKDG-NHTMILBNSA-N 460.578 2.713 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3ccccc3CN3CCCC3)CC2)cc1 743358310 HTQHJNXLNQXIMC-UHFFFAOYSA-N 451.615 2.912 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC1 1690853993 SRJUQQFIWLXVGZ-UHFFFAOYSA-N 453.616 2.725 10 10 JFCE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864015546 BVUKAWMCIQNYAS-BTYIYWSLSA-N 499.527 2.537 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864018838 RUWMRJWHDXPVEI-NRFANRHFSA-N 494.548 2.775 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3F)CC1)[C@H]2c1ccc(O)c(O)c1 1865025615 ASVDIZWJSXVYOM-QFIPXVFZSA-N 493.539 2.805 10 10 JFCE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)C1 1865029207 IOBQHXCCSTXCQJ-LAUBAEHRSA-N 498.580 2.755 10 10 JFCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033212 UUQIYNNOHADALI-NRFANRHFSA-N 492.532 2.562 10 10 JFCE CCc1cccc(C)c1NC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872641467 FQCMFCFLWHZSTB-UHFFFAOYSA-N 493.564 2.858 10 10 JFCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 2313556998 QJPDXYHOJVULGM-UHFFFAOYSA-N 469.406 2.787 10 10 JFCE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc43)cc2F)C[C@@H](C)O1 730637606 FOVXHCVWESNBRB-CALCHBBNSA-N 454.502 2.649 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCCOc3cccc(Br)c3)CC2)cc1 742927966 CPFKFNYOCGDFOG-UHFFFAOYSA-N 477.403 2.958 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)C)CC1 1741042270 QFSFMODBXKTOPO-UHFFFAOYSA-N 477.613 2.793 10 10 JFCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864020445 ZDBBDMWJOQFGHJ-HXPMCKFVSA-N 484.940 2.691 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864021611 QOCBNAVYNZUUDF-QVKFZJNVSA-N 492.532 2.527 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706171 RPRJMETZHYTUCK-UHFFFAOYSA-N 494.556 2.533 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2200969022 GKWPMHNPAWUQHB-INIZCTEOSA-N 481.546 2.545 10 10 JFCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314769369 PGJUZQSSLUUGNO-NRFANRHFSA-N 498.582 2.951 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc(OC)c1O 15044707 WRYUUHXEDQSJNL-VBKFSLOCSA-N 482.580 2.762 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33807103 GXRUGPQRMMPDQM-YVLHZVERSA-N 470.551 2.948 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864009864 MGDQEPVBUUHMCP-NRFANRHFSA-N 471.602 2.946 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864015740 DTBQRNMKCKNYOX-XLIONFOSSA-N 476.533 2.971 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865035084 KYENIJFGHSXNSR-FQEVSTJZSA-N 469.586 2.516 10 10 JFCE CC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802526 HVOPUDSZVFAOQX-QHCPKHFHSA-N 483.524 2.654 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc(I)c1O 2293772169 LGVZRSYVTAVNIT-UHFFFAOYSA-N 465.290 2.681 10 10 JFCE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345377 QYLBSTADWCEYKK-UHFFFAOYSA-N 468.516 2.835 10 10 JFCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(N)=O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2314541332 JXDZLXNPXLDCTB-CYBMUJFWSA-N 461.477 2.693 10 10 JFCE COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15047610 SNUASWBCAYKNSC-ZSAINHDTSA-N 477.589 2.571 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCCC(=O)O 16912206 PKUCUORGNCMFON-MHWRWJLKSA-N 462.505 2.996 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@](N)(c3cccc(F)c3)C(F)(F)F)cc2)CC1 1472557221 JPIQVIYYEQXLSX-OAQYLSRUSA-N 452.452 2.527 10 10 JFCE CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 1508239002 VNEIBXGGSQIKTQ-LJQANCHMSA-N 454.619 2.716 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019411 YBGLRUSAZHKCKH-HXUWFJFHSA-N 482.512 2.501 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865030808 RMPQYJXAEDSIRJ-IBGZPJMESA-N 458.559 2.582 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(N(C)C)c4)[nH]3)CC2)cc1 1871615724 ZSENSWDELWEXJE-UHFFFAOYSA-N 476.629 2.928 10 10 JFCE O=C1C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2040498335 HXKUCCGZNCBCRD-UHFFFAOYSA-N 474.608 2.649 10 10 JFCE O=C1N=C(NS(=O)(=O)c2ccccc2)SC1=Cc1ccc(I)o1 2295902829 XHQJHLXGSYRNDB-UHFFFAOYSA-N 460.274 2.833 10 10 JFCE COc1cc(OC)c(-n2cccc2C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 2297346881 UYRFAXPQHBYIAN-UHFFFAOYSA-N 493.954 2.769 10 10 JFCE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1540978128 RZPWKIKYDQYZRA-AVRWGWEMSA-N 488.608 2.629 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1741018003 MYJDPBLEKLZGCA-IBGZPJMESA-N 451.550 2.898 10 10 JFCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018517 MTVJKFARCMUABL-ZUOKHONESA-N 498.967 2.750 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865031809 OITRBQANMDFYLQ-LJQANCHMSA-N 464.522 2.517 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865033451 ABEGNNBQBUDODI-MRXNPFEDSA-N 488.422 2.970 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865035592 XIJDYTZVUXBNKP-PZPWOCDFSA-N 491.548 2.571 10 10 JFCE CCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674586 CORXCYIKHTUJJC-RPWUZVMVSA-N 452.599 2.932 10 10 JFCE CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1871342533 NWFDCUTYDYLCJZ-UHFFFAOYSA-N 450.472 2.631 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2272025304 ZVGVDDQGFQFCST-UHFFFAOYSA-N 484.619 2.545 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 256037282 BPNZJYQMLDCEDQ-PMACEKPBSA-N 497.455 2.944 10 10 JFCE COC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)nc1C 1858693092 VMBDCUZZZADBAK-UHFFFAOYSA-N 457.468 2.844 10 10 JFCE CCc1sc(NC(=O)C(=O)NCCNC(C)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763332 FRXZDPACMFUZFW-UHFFFAOYSA-N 496.383 2.717 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864021222 NHWBYPMDLCLMII-IBGZPJMESA-N 458.559 2.750 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@H]2c1ccc(O)c(O)c1 1865033760 HSWILKWRLUDWLS-FQEVSTJZSA-N 494.548 2.525 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866239877 XJRMFBRLXLKCQR-KRWDZBQOSA-N 451.479 2.559 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867673558 VSMAFHQHXVZBPX-LOSJGSFVSA-N 477.609 2.668 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCO3)CC2)cc1 1874642794 NEMJVKSTAIJGKX-RPBOFIJWSA-N 476.577 2.732 10 10 JFCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875215615 QWWKDNHACAJWNW-UHFFFAOYSA-N 493.612 2.750 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2297313706 YKIMRUGFZKCHTO-UHFFFAOYSA-N 465.553 2.703 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c(C)nc4cc(C)c(C)cc43)CC2)cc1 32974669 QPUOEQNKKOBRJP-UHFFFAOYSA-N 477.609 2.659 10 10 JFCE COC(=O)c1ccccc1N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 39861671 SBCDVCCNTVOGRL-MSUUIHNZSA-N 454.485 2.680 10 10 JFCE CCC1=Cc2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 257463660 KIEAOQXPJFQGAF-KCRAVRMASA-N 465.502 2.951 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(C)ccc4Cl)C3)CC2)cc1 1615106753 SFNQTFGOAREUOG-RSXGOPAZSA-N 491.028 2.865 10 10 JFCE CCCC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585336 BTLHRIBNPWUQCO-HRAATJIYSA-N 496.585 2.900 10 10 JFCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2314414376 XOTOETHJQRKNPZ-CVEARBPZSA-N 486.619 2.974 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760581163 IHRVFJUJSJPNPU-PMACEKPBSA-N 458.582 2.730 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020420 YQADDUJNCNXYFL-IBGZPJMESA-N 484.940 2.693 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2136241219 WKXHTDOSLRADNE-XHSDSOJGSA-N 465.547 2.706 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328599305 WPLNRGZTTSVOOA-HSZRJFAPSA-N 464.522 2.956 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15036224 WSOFCUJWFFLDFR-DHDCSXOGSA-N 467.981 2.827 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2)CC1 1447715215 WANQJPPZKXCHTL-NRFANRHFSA-N 458.603 2.864 10 10 JFCE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)CCCN2C 1705629995 BYUSOVGWLPPSQG-UHFFFAOYSA-N 478.622 2.786 10 10 JFCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864009840 LNCAZOVEAXXNRE-FQEVSTJZSA-N 457.575 2.555 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864021187 MPXMQCSAIHNTJG-VQXSCYTKSA-N 494.592 2.771 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCC2)cc1 1865943244 JPJDNIMGUILRHX-QHCPKHFHSA-N 484.622 2.776 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1 1868609922 ORNDQMXSSSHFKR-JOCHJYFZSA-N 499.633 2.596 10 10 JFCE CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868787322 SAXZLKFPJNNKQG-RDPSFJRHSA-N 478.593 2.682 10 10 JFCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)c(O)c1Br 2380797468 HVXSZTCIIYGBPS-ZIAGYGMSSA-N 463.394 2.585 10 10 JFCE Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 35960663 KTHCWGPCZNHSLI-VWLOTQADSA-N 494.640 2.763 10 10 JFCE CCN1/C(=c2/s/c(=C3\SC(=S)NC3=O)n(-c3ccccc3)c2=O)C=Cc2cc(OC)ccc21 101629596 XGKYXPSACOUPPM-BMUZNATDSA-N 493.635 2.825 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)n3cc(C)c(C(F)(F)F)n3)cc2)CC1 1556199870 XPCSOMNFVJICOT-UHFFFAOYSA-N 451.493 2.930 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4c(OC)cccc4OC)C3)CC2)cc1 1858366513 ZFNOLYUEBKSPAW-SFHVURJKSA-N 453.539 2.523 10 10 JFCE CCOc1cccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1O 1860711241 OOOAMWXIYPEIIP-UHFFFAOYSA-N 485.566 2.809 10 10 JFCE COc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826800 NJHPXCSMBVCWJN-VXPUYCOJSA-N 497.554 2.727 10 10 JFCE CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861930244 AUNDJLGHVDSQMV-FQEVSTJZSA-N 471.554 2.578 10 10 JFCE CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862149563 ZDXFZPOHBAJWQB-ZFLSFVSKSA-N 467.566 2.969 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011801 YMYYXOKFENODRE-QFIPXVFZSA-N 491.592 2.917 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@@H]2c1ccc(O)c(O)c1 1865031735 NESFOOVPSDBLOT-HXUWFJFHSA-N 478.549 2.763 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865034802 FDLYZZZXFXTFKK-IBGZPJMESA-N 458.559 2.582 10 10 JFCE CCCC[C@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867019827 OHSXPBAGPACDDD-IBGZPJMESA-N 470.547 2.510 10 10 JFCE CCOc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869969574 QRBWQUZGOTXFSY-UHFFFAOYSA-N 466.542 2.567 10 10 JFCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2296979371 NYGJQEDISVOGKW-CYBMUJFWSA-N 478.460 2.993 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nc1-c1ccc2c(c1)NC(=O)CO2 11857966 AJWKBRSVSZITFF-UHFFFAOYSA-N 456.505 2.745 10 10 JFCE CCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 33437820 PFUCCQIHQYLHJP-GHRIWEEISA-N 485.635 2.706 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760584991 QCZDREPPEWYMAL-NRFANRHFSA-N 465.577 2.822 10 10 JFCE CCCC[C@H](NC(=O)c1cccn(CCC)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862016415 BAQTWYBTIMFLER-QHCPKHFHSA-N 468.598 2.904 10 10 JFCE CCOc1ccccc1OCC(=O)N[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862176614 NFQWFMXBTAQKOD-OAQYLSRUSA-N 455.555 2.716 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012472 AGKLVTAMBFZSKV-NRFANRHFSA-N 496.539 2.891 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864017900 XYHIIRGJNIGQIO-JLTOFOAXSA-N 494.548 2.572 10 10 JFCE CCN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 39983440 JZYUGKHQRVZMAY-WBNXYMAISA-N 487.422 2.574 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 726245838 BQSKNKFQXWGBPF-FQEVSTJZSA-N 475.634 2.764 10 10 JFCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c(I)c1 1084461324 WTJUJERFMGAHEO-YFHOEESVSA-N 468.247 2.967 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(-c4ccccc4)c3C(F)F)cc2)CC1 1556199376 JPBZVNWJJXMHEJ-UHFFFAOYSA-N 454.481 2.803 10 10 JFCE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016180 JDENPIVXIFEUKP-IBGZPJMESA-N 464.522 2.734 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccncc2)=C(N)O3)cc1 1864022054 JNULBAQAASMNME-NRFANRHFSA-N 499.527 2.913 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2 1865030605 MWFDDCQJTTWRGO-HXUWFJFHSA-N 498.580 2.763 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871512791 KKDCPWHQPZETIV-UHFFFAOYSA-N 484.004 2.550 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCC(=O)O 210455184 PXMIFUFICNRXTK-YVLHZVERSA-N 458.517 2.634 10 10 JFCE CCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(N(C)C)cc3)N2N1 588226227 LKQREJWEGPKPCQ-LJQANCHMSA-N 472.412 2.801 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N21 2297345435 WKHUESDUSWTLIW-UHFFFAOYSA-N 472.479 2.666 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O 2314933988 XNEAZURJBCMUQQ-UHFFFAOYSA-N 489.487 2.613 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccccc3OC)c3ccco3)CC2)cc1 38619643 PCDZOHIMCYYUQV-QFIPXVFZSA-N 478.549 2.915 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-c4nccs4)c3)CC2)cc1 743432008 DASSVBKUHYHAKM-UHFFFAOYSA-N 465.579 2.696 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862131931 PSGLAMUFISMZRG-LJQANCHMSA-N 480.609 2.576 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864010595 OOIGPBOXRNDYBK-OAQYLSRUSA-N 488.548 2.714 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864014069 MRTYSMAJZLZOSF-LJQANCHMSA-N 458.559 2.893 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864021441 BWEKWEOYNBFHKM-HNNXBMFYSA-N 484.475 2.959 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864023262 WSWHYWRGPCOWAA-HNNXBMFYSA-N 475.427 2.739 10 10 JFCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 2297550633 DYGMGNQZWPQYBI-UHFFFAOYSA-N 486.871 2.859 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934836 KUQKVXQJPVUZTD-HNNXBMFYSA-N 480.608 2.861 10 10 JFCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101764977 BXHFHHJIPWCHHI-IBGZPJMESA-N 453.543 2.901 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 504693160 TXDFHSXTKSUUGO-RMAROTPOSA-N 475.545 2.620 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865030045 AYGVUTZVRCKYRJ-HXUWFJFHSA-N 470.570 2.582 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(-n5cccc5)cc4)n(C)[nH]3)CC2)cc1 1869970125 YYBYDENTQXGJOC-UHFFFAOYSA-N 457.538 2.615 10 10 JFCE CCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169604 RCWYGTFTVQVXFD-UHFFFAOYSA-N 450.583 2.896 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2080889900 WXCUDMPDAHELPX-IBGZPJMESA-N 485.537 2.671 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1O 2297342047 BVCZQKFHKHPJCJ-UHFFFAOYSA-N 482.205 2.811 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 16915208 QCOMZVFUIOHPCE-LICLKQGHSA-N 494.572 2.562 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)/C(=C\NNc3ccc(I)cc3)C2=O)c1 101346795 YYBNXPOQCDIMEE-XNTDXEJSSA-N 462.247 2.683 10 10 JFCE CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](C=CCO2)C1 958317653 RYKQWFGPFJHCCV-SFTDATJTSA-N 478.593 2.738 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010901 QKRAVOOHGGLQJU-IBGZPJMESA-N 452.486 2.934 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865034205 RKBCGXLRMIBURO-LRDDRELGSA-N 496.486 2.649 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cccc21 1866937828 DHTWCBKEXHBCBE-VWPQPMDRSA-N 472.472 2.820 10 10 JFCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 2040482369 OJWCPRLYVHEPNX-FQEVSTJZSA-N 493.029 2.713 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccsc3)c3ccco3)CC2)cc1 49486608 YCLKCCVPOBJIDV-NRFANRHFSA-N 468.579 2.646 10 10 JFCE Cc1c(-c2ccnc(N3CCN(c4ccc5c(c4)OCO5)CC3)n2)nnc2nc(-c3ccco3)nn12 72452707 JNLZZYFHJHHDKC-UHFFFAOYSA-N 483.492 2.600 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248256591 UUJAUZGELUIRND-GBWYYYKWSA-N 452.507 2.513 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)CC2)cc1 1518370510 PZBXOJHZYOFLIU-NRFANRHFSA-N 453.564 2.762 10 10 JFCE COc1ccc(N2CCN(C(=O)CC3(N4Cc5ccccc5C4=O)CCN(C(C)=O)CC3)CC2)cc1 1860216773 COBVSGLUZLWZKR-UHFFFAOYSA-N 490.604 2.771 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861919748 FQMIEQVUHCZEOA-OAQYLSRUSA-N 472.567 2.804 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1 1864010462 TWXJFNSCJVBYEA-FQEVSTJZSA-N 460.494 2.510 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864016441 PGANWJTVWPGQNC-LJQANCHMSA-N 464.522 2.565 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 2294093671 BPJGKTITDIKVDQ-UHFFFAOYSA-N 462.212 2.738 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 6798417 UFULVJLJAHEIHA-ZSOIEALJSA-N 459.252 2.887 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(Cl)c4)C3)CC2)cc1 1858419310 VEESURBSLGLJNT-QGZVFWFLSA-N 463.987 2.708 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865029714 UCRMKMBNQFHJIE-FQEVSTJZSA-N 458.559 2.574 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1 1869009066 RFWJOFAKFZJYTN-NRFANRHFSA-N 488.588 2.930 10 10 JFCE CCCCn1c(N)c(N(C)C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2Cl)c(=O)[nH]c1=O 229939000 XWNKPBXJWARMFP-QXMHVHEDSA-N 470.961 2.802 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3C(=O)O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084580586 CVOYKBVPDJQOQW-JOCHJYFZSA-N 491.569 2.563 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)C)CC2)cc1 1862299163 BJTOVZOFHFUVJF-XMMPIXPASA-N 467.566 2.653 10 10 JFCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011431 HNSMSXNZRUYFNK-OAQYLSRUSA-N 497.983 2.677 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864019066 VINYLHXGHZPESU-FQEVSTJZSA-N 469.586 2.563 10 10 JFCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031703 MOLUGYQRTIZFMK-IINYFYTJSA-N 452.433 2.946 10 10 JFCE CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866118819 PKKWYTFUVYNGJE-LOSJGSFVSA-N 452.599 2.849 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871495641 LUQNZOBBTMEVHN-IBGZPJMESA-N 477.613 2.710 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871505507 BTYJRBRNAHEAPF-UHFFFAOYSA-N 463.586 2.900 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCOCC3)n4CC(C)C)CC2)cc1 1873550263 BVQJIJQKSPZSAT-UHFFFAOYSA-N 478.597 2.895 10 10 JFCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 2040482370 OJWCPRLYVHEPNX-HXUWFJFHSA-N 493.029 2.713 10 10 JFCE O=C(NN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S)[C@H]1CC(=O)N(c2ccccc2)C1 2294741869 WBIRKBJCEKDVND-AWEZNQCLSA-N 468.516 2.880 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc5ccccc5n(C)c4=O)CC3)CC2)cc1 22581180 ULKOBMBNDAJGIF-UHFFFAOYSA-N 461.566 2.507 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccc(OCCN(C)C)cc3)cc2)CC1 1634073667 BMFUXMCHGMAZDV-MDWZMJQESA-N 450.583 2.625 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 1760612462 MGGVWOPSBUSKIO-GOSISDBHSA-N 458.582 2.558 10 10 JFCE CCc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862277194 BIMAZHFIEFLGIE-HSZRJFAPSA-N 451.567 2.976 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864008221 GESRJSYPVSRJFZ-QFIPXVFZSA-N 478.549 2.874 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865034010 NAODXXGETPXRNB-HNNXBMFYSA-N 484.475 2.649 10 10 JFCE CCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868978253 BBIMWLMADBIOCN-OAQYLSRUSA-N 462.554 2.728 10 10 JFCE C[C@@H](CN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136254361 WLKCOKHELZDNQG-HOCLYGCPSA-N 467.563 2.905 10 10 JFCE COc1ccc(N2CCN(C(=O)CCn3cnc4onc(-c5ccc(F)cc5)c4c3=O)CC2)cc1 8595950 MLQCFWJUSHAWTL-UHFFFAOYSA-N 477.496 2.938 10 10 JFCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 33247749 HJRPQDUCRGBRJM-LGMDPLHJSA-N 495.469 2.833 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3c(N4CCCCC4)nc4ccccc4c3=O)CC2)cc1 33308569 KCLLDFPWMUGPFI-UHFFFAOYSA-N 461.566 2.744 10 10 JFCE 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COc1ccc(N2CCN(C(=O)CNC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868906223 MPJZGFVLWRHANO-UHFFFAOYSA-N 465.579 2.611 10 10 JFCE COc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314837468 SNUASWBCAYKNSC-LBPRGKRZSA-N 477.589 2.571 10 10 JFCE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1)C(=O)O 2314930488 FAWVNESRGLBPLZ-LLVKDONJSA-N 473.488 2.993 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)ccc1O 15044680 WQUROFRWJMDFSE-VBKFSLOCSA-N 452.554 2.753 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(C(=O)CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 257628238 CZZMNZIRCAAODV-QHCPKHFHSA-N 460.644 2.858 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(OC)c3OC)CC2)cc1 1860333342 YCMHKOLDHUBIGX-REWPJTCUSA-N 453.539 2.581 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864020047 VBWJQJFPXLJWEX-LJQANCHMSA-N 484.940 2.957 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865035079 KUEMZRIEJJZZFP-OAQYLSRUSA-N 494.523 2.598 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 8674006 YSSPGBYKWWBTJY-UHFFFAOYSA-N 473.482 2.909 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1 34869770 LLIASOYHAPOCAL-CLXYIWAZSA-N 453.545 2.981 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5OC(C)=CC5=NC4=O)cc3OC)nc2s1 96484470 UEQSOXKCWDJFAJ-OGUWXHFSSA-N 492.517 2.751 10 10 JFCE Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c12 109150859 AXLRKLABDATMTN-UHFFFAOYSA-N 481.560 2.868 10 10 JFCE CC[C@](C)(NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862045006 MGZGRCXJUQQSIH-DEOSSOPVSA-N 470.526 2.859 10 10 JFCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871597757 APLUPOAHHVJFGR-UHFFFAOYSA-N 463.586 2.633 10 10 JFCE CCOc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)ccc1O 2297100602 PVPZWSGTGXZZCR-UHFFFAOYSA-N 450.232 2.857 10 10 JFCE CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)cc3)C2=O)cc1OC 2297454278 RBDXUOSTWQFYIJ-UHFFFAOYSA-N 468.462 2.609 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1 33060257 NLFZPHUQOQYKGS-UHFFFAOYSA-N 498.584 2.880 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OS(C)(=O)=O 102468906 MLONYJUXNWGWSS-GPBTZJJPSA-N 460.493 2.684 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O 210453549 XNEAZURJBCMUQQ-PXNMLYILSA-N 489.487 2.613 10 10 JFCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 727248224 KEYAGMDAVDNESG-UHFFFAOYSA-N 481.577 2.648 10 10 JFCE CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)c(F)c1 1471190626 JEJBBBAWLKBPEK-UHFFFAOYSA-N 453.562 2.812 10 10 JFCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(C)=O)CC1 1705895826 UDYGYUGBNMVVGF-UHFFFAOYSA-N 475.597 2.760 10 10 JFCE COc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc(OC)c1OC 1857951804 INVMZBVRTLXBEH-UHFFFAOYSA-N 489.594 2.522 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)c3snc4ccccc34)cccc21 1867268945 AZOXBWRJAWRQOK-LJQANCHMSA-N 471.494 2.801 10 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469.607 2.543 10 10 JFCE COc1ccc(N2CCN(c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)cn3)CC2)cc1 1858430359 CTHVGUFEBGHRRG-IBGZPJMESA-N 477.487 2.909 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864007863 WKVFMDFNECICEX-OAQYLSRUSA-N 464.522 2.565 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccccc3)CC2)cc1 1870357645 ILZVWMZXEKHNNV-UHFFFAOYSA-N 463.578 2.989 10 10 JFCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670068 KLSOUQYDUOVLJZ-UHFFFAOYSA-N 477.613 2.859 10 10 JFCE O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179996 VBKSKAHIGCUGFP-UHFFFAOYSA-N 460.467 2.635 10 10 JFCE COc1ccc(N2CCN(C(=O)C[C@@H](C)S(=O)(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 9152721 UEEHOJOWGQUXLF-MRXNPFEDSA-N 489.619 2.641 10 10 JFCE COC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)CC1 35638363 AEOBLICEEIIXSB-GXDHUFHOSA-N 484.397 2.561 10 10 JFCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCn1cccn1 1860344918 HMIYCGRHDLELAC-UHFFFAOYSA-N 452.518 2.977 10 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UHCFKTNNYVWNCI-WOJBJXKFSA-N 453.004 2.835 10 10 JFCE COC(=O)CN(CC(=O)OC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1 147355385 DSYAJHRMVXOBRK-OCOZRVBESA-N 468.426 2.993 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1 248046639 MPCZZXJLACWCGW-VXNXHJTFSA-N 470.614 2.890 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 1862128841 LONPZRDYXSPOAB-HNNXBMFYSA-N 493.391 2.585 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868991200 PTJYPROLLFYRIY-SFHVURJKSA-N 465.529 2.796 10 10 JFCE CCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870522098 WAVCLIZQVFGXSO-FQEVSTJZSA-N 470.614 2.883 10 10 JFCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 2297352731 QPASQMNPAHLGRT-UHFFFAOYSA-N 491.529 2.823 10 10 JFCE Cn1c(=O)c2c(-c3cccc(Br)c3)n3c(c2n(C)c1=O)[C@@H](c1cccc(O)c1O)OCC3 35373221 BEZWAKWOECPVLJ-OAQYLSRUSA-N 498.333 2.999 10 10 JFCE CC(=O)Nc1ccc2c(=O)cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c2c1 1866521659 ATABTPQBMSWPRD-QHCPKHFHSA-N 458.522 2.805 10 10 JFCE CCc1nc(N2CCC(CN3CCOCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869120809 HZBGXSQJFQVWHH-UHFFFAOYSA-N 480.657 2.923 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2200954161 XVUBOGFZLUVKMO-IRXDYDNUSA-N 479.574 2.907 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 2296885226 JXYNHZQFPPPJLQ-UHFFFAOYSA-N 474.516 2.948 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(C)c4)C3=O)o2)cc1 2297577839 AHZGYKKAOYBCEA-UHFFFAOYSA-N 465.487 2.541 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCCO)nc12 33803786 GHBWOPPKMMZNCM-GZTJUZNOSA-N 470.551 2.948 10 10 JFCE O=C(COc1ccccc1/C=C1\SC(=S)N(N2CCOCC2)C1=O)Nc1nccs1 35519775 GXMOOULGTJTLBK-PTNGSMBKSA-N 462.578 2.609 10 10 JFCE CCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862159984 SCNCTMLCCKDFDD-HBAHQKBISA-N 467.566 2.969 10 10 JFCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018444 LDTZARMHGWNHHM-FQEVSTJZSA-N 498.967 2.752 10 10 JFCE COC(=O)c1c(NC(=O)[C@@H](N)CCC(N)=O)sc(C)c1-c1ccc(Br)cc1 1866104126 APNAWPKRHZGUMD-LBPRGKRZSA-N 454.346 2.804 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 1868966975 BTGOFEVRWRWVPL-VWLOTQADSA-N 473.577 2.986 10 10 JFCE O=C1CN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CCN1 1874180893 XCTQFKQHWKKNHM-UHFFFAOYSA-N 468.469 2.678 10 10 JFCE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2040515964 YMJSJYZRSPBJMO-LSDHHAIUSA-N 472.592 2.666 10 10 JFCE CNc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1[N+](=O)[O-] 10273123 ZBHVSLRMICMXMK-GIJQJNRQSA-N 486.531 2.996 10 10 JFCE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467382 XCAXOKVBJPTBGN-QGOAFFKASA-N 459.641 2.801 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3OC[C@H]3CCCCO3)CC2)cc1 743432030 FONIOEFFCXFZGZ-HSZRJFAPSA-N 496.608 2.520 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCc4nc(C)nc(C(F)(F)F)c4C3)cc2)CC1 857494590 RKALMBJSCXKGPG-SFHVURJKSA-N 475.515 2.894 10 10 JFCE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)c(F)c1 1705580806 QTFFRIVKCFUFBM-UHFFFAOYSA-N 479.585 2.564 10 10 JFCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)s2)N2CCOCC2)cc1 1858074344 GVQBYKVCQJSHCZ-MRXNPFEDSA-N 474.446 2.928 10 10 JFCE CCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1O 1858591157 ZRDZXWBSQCVTJO-SFQUDFHCSA-N 464.590 2.882 10 10 JFCE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858660003 BVKLKBBQBDNGNH-UHFFFAOYSA-N 477.498 2.609 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029639 RYAPBVLYNIOIAN-HXUWFJFHSA-N 462.506 2.904 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCO)ncnc4n3Cc3ccco3)CC2)cc1 1875234614 SUZDDSDYCNKAPY-UHFFFAOYSA-N 490.564 2.838 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@H]3CCCO3)nc12 2053496950 QJRRZEPCNWGRGT-HZPDHXFCSA-N 486.619 2.974 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc(OC)c1OC 2423764 FJZFQVKXMNWSFL-LFIBNONCSA-N 466.562 2.807 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(COC4CCOCC4)c3)cc2)CC1 857494128 JKSFCYGYBJHAAO-UHFFFAOYSA-N 451.567 2.981 10 10 JFCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4ccccc4)CC3)cc2F)C[C@@H](C)O1 916972854 BZDPMKCRGDQPGP-OYRHEFFESA-N 454.590 2.873 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1301731818 DJNIXFJNUCLZTA-KRWDZBQOSA-N 451.550 2.959 10 10 JFCE COC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCCN1Cc1ccccc1 1614594513 GLGZKXGIKHGYEJ-IZZNHLLZSA-N 450.627 2.982 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864007719 SOWGNZAJNIWKGI-QFIPXVFZSA-N 477.565 2.745 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009667 JSRCNGKNEABWTH-HXUWFJFHSA-N 450.495 2.642 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865027848 MILFKCODGORMMU-FQEVSTJZSA-N 484.940 2.781 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027868 MQUPMHTZJZGOIS-PGRDOPGGSA-N 476.533 2.578 10 10 JFCE C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1868016359 FRDZZIRSILJVET-SBUREZEXSA-N 492.576 2.779 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CC(=O)N(C(C)(C)C)C4)n(C(C)(C)C)n3)CC2)cc1 1869971139 YXMQAVZHYLEXFS-GOSISDBHSA-N 497.644 2.954 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(N3CCC(C)CC3)nc12 2295838608 OILFDDBILBPEDP-UHFFFAOYSA-N 458.565 2.525 10 10 JFCE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 2297346132 GJXFNLNVLOUFSU-UHFFFAOYSA-N 484.515 2.536 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 2297346146 HKDIHQZUSDKDHE-UHFFFAOYSA-N 498.542 2.926 10 10 JFCE CCCCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 33897254 QDOKVPCNZULNBJ-FBMGVBCBSA-N 487.651 2.830 10 10 JFCE Cc1ccc(CCN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 40325446 OMSRQEZAIFCXRC-NOZRDPDXSA-N 497.661 2.668 10 10 JFCE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cccc1[N+](=O)[O-] 1859007454 PQEKUKHAFMVFJT-UHFFFAOYSA-N 498.517 2.935 10 10 JFCE O=C(O)c1cc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)ccc1O 1859466245 KEJNOWFVJXBZGK-UHFFFAOYSA-N 452.444 2.687 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865025514 AQNQJHYODDHEGW-KIMHZCHSSA-N 476.533 2.922 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865029030 DNLVBLPCBJCZEC-NRFANRHFSA-N 477.565 2.965 10 10 JFCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)o2)cc1 2296727683 YDMKVQUJYHVMJF-UHFFFAOYSA-N 474.563 2.914 10 10 JFCE COc1cc(C=C2SC(N3CCN(CCO)CC3)=NC2=O)ccc1OCc1ccccc1 2297317679 BSTZOZTYGQYAIL-UHFFFAOYSA-N 453.564 2.854 10 10 JFCE CC[C@@H](C)OC(=O)[C@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944867 UWMSWBXJHLFAOU-NEPJUHHUSA-N 462.549 2.810 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(N3CCCCC3)nc12 33450864 IBFGLIAUYFWKTE-NTCAYCPXSA-N 458.565 2.669 10 10 JFCE COC(=O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 197860778 SVNZDTSUBIQNQP-WUKNDPDISA-N 487.946 2.776 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864019663 OKXYLKXDAPBLJY-OAQYLSRUSA-N 473.533 2.929 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865034675 BNOKUJKFORWAKG-QFIPXVFZSA-N 492.576 2.982 10 10 JFCE CC(=O)NCCC(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866801757 UNDKQKJZZQNUTG-XMMPIXPASA-N 469.497 2.784 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccccc3)N(C)C)CC2)cc1 1868674155 AEUOCKBOIFPCNC-ZEQRLZLVSA-N 484.666 2.885 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 2294134095 SCQLAJODUUOJMV-UHFFFAOYSA-N 475.251 2.588 10 10 JFCE N=C1C(=Cc2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352746 RYMZSPXNRDZPHZ-UHFFFAOYSA-N 467.532 2.876 10 10 JFCE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N(CCO)C(C)(C)C)C2=O)cc1 2297580062 KFSRPPAVDVWZGB-UHFFFAOYSA-N 450.582 2.684 10 10 JFCE Oc1ccccc1CNCCN(CCNCc1ccccc1O)CCNCc1ccccc1O 22937516 VMWXSDOYGZCEHC-UHFFFAOYSA-N 464.610 2.775 10 10 JFCE CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864009867 MHDJEECMEOFTEX-OAQYLSRUSA-N 492.532 2.810 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867374900 ZSKDUGZXMHUHMW-PKTZIBPZSA-N 473.017 2.840 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871685169 YJBHBZDMGNKACR-FQEVSTJZSA-N 497.550 2.663 10 10 JFCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc5c(c4)OCO5)CC3)cn2)cc1 2086860553 YACLRJWMBWDZHV-UHFFFAOYSA-N 465.531 2.914 10 10 JFCE CN(CCCNC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136253956 RVYURZVWTCNJQZ-INIZCTEOSA-N 467.563 2.907 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)CC2)cc1 9067797 CHABMFWBIKUCSM-UHFFFAOYSA-N 454.546 2.834 10 10 JFCE COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(N2CCOCC2)cc1OC 20496458 YQQIVZKBOUYDIQ-UHFFFAOYSA-N 472.498 2.538 10 10 JFCE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066408 HDJXCHIFNWZBEG-WQRHYEAKSA-N 482.587 2.989 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)C2=O)c1 62059837 YKXMUHTWLMOKFS-XMHGGMMESA-N 495.582 2.699 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864008803 SKXINIBBQZMDSH-GCJKJVERSA-N 476.533 2.641 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871581666 RKYTZUFVRYTDSU-UHFFFAOYSA-N 495.603 2.816 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166275 JRFIBUJZWJLIEJ-QFIPXVFZSA-N 459.550 2.908 10 10 JFCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)c1 2296936318 MJVKRACFHBLEIZ-UHFFFAOYSA-N 477.267 2.847 10 10 JFCE Cc1ccc(C)n1N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2297560962 BCZSNPUTGWVADJ-UHFFFAOYSA-N 457.577 2.880 10 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NAODXXGETPXRNB-OAHLLOKOSA-N 484.475 2.649 10 10 JFCE COc1cccc(OC)c1C(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867349717 WTAHOSCBBKRKRV-NRFANRHFSA-N 468.598 2.843 10 10 JFCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c23)C1=O 2740027 IRWAFVFXXNFFAT-BOPFTXTBSA-N 460.833 2.761 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33811942 BXDRSQMFONHCPQ-BOPFTXTBSA-N 474.608 2.868 10 10 JFCE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567870 UZCPHOIBFQTSNQ-UHFFFAOYSA-N 498.508 2.650 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864013837 HBWSVKIUJMCWSB-KXBFYZLASA-N 456.543 2.647 10 10 JFCE CCN1C(=O)C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296716944 JZYUGKHQRVZMAY-JTQLQIEISA-N 487.422 2.574 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1 1868674153 AEUOCKBOIFPCNC-DNQXCXABSA-N 484.666 2.885 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3cccnc3)N(C)C)c3ccccc3)CC2)cc1 1869054937 FFOMXWIWOUAKRH-CLJLJLNGSA-N 487.604 2.899 10 10 JFCE CCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870474970 WMUBMGVYDIRHPV-UHFFFAOYSA-N 487.597 2.548 10 10 JFCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294095133 KRVKFWYOIGSCKZ-UHFFFAOYSA-N 452.463 2.920 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2358026226 GNJHOXCLAUGGTB-YYAJDYIMSA-N 477.558 2.658 10 10 JFCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCO)nc4ccccn4c3=O)SC2=S)cc1 33535808 HTELVBYMMUKMHR-XDJHFCHBSA-N 496.614 2.941 10 10 JFCE O=C1/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 97447389 VDNNBDIFCKDGBX-OBGWFSINSA-N 466.588 2.933 10 10 JFCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)C[C@@H](C)O1 584905932 IIBGDNXDVUXBRS-FWNUPQRCSA-N 486.619 2.688 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccccc4oc3=O)cc2)cc1 1858958554 FXSSTIVJHKWQIJ-UHFFFAOYSA-N 493.497 2.783 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(OC)cc3OC)CC2)cc1 1861932276 KBVSEPOOPSJBCQ-QFIPXVFZSA-N 487.622 2.913 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2040499199 UVHJGHUJBIMFAH-UHFFFAOYSA-N 488.635 2.958 10 10 JFCE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200961778 FXWDPARFAXUFIC-IRXDYDNUSA-N 479.574 2.907 10 10 JFCE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352579 CPYNWLCFSNOUPH-UHFFFAOYSA-N 479.493 2.954 10 10 JFCE CCN1C(=O)C(=Cc2cn(CC(=O)O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509086 UVUBCCKWMXDMJE-UHFFFAOYSA-N 495.557 2.654 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3Cl)CC2)cc1 12025569 VTBRFCCIWPPEMO-OAHLLOKOSA-N 477.970 2.624 10 10 JFCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 33812539 BDWWQDWOQRHMRL-AQTBWJFISA-N 459.641 2.801 10 10 JFCE COc1ccc(N2CCN(C(=O)CC[C@@]3(c4cc(Cl)ccc4OC)NC(=O)NC3=O)CC2)cc1 1858174095 UIUCAPNGSJYGJS-DEOSSOPVSA-N 486.956 2.521 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccn(Cc4cccc(F)c4)c3=O)CC2)cc1 1862029015 QNLXNLLCTMGGKH-LJQANCHMSA-N 492.551 2.511 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@@H]2c1ccc(O)c(O)c1 1865031677 LWSLXMITGNYQRW-LJQANCHMSA-N 464.522 2.517 10 10 JFCE C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1868016357 FRDZZIRSILJVET-HXOBKFHXSA-N 492.576 2.779 10 10 JFCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2296567579 SCECIFLCBXEPIW-UHFFFAOYSA-N 480.315 2.849 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837471 SPVSXMJTALEXCI-JTQLQIEISA-N 498.007 2.921 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)cc2C[C@@H]1C 9118154 QEXUWVZICVRTFF-SFHVURJKSA-N 498.649 2.767 10 10 JFCE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 247954670 LNTHGQYRXOUNCN-MFCZKXCZSA-N 451.317 2.576 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2C[C@H]1C 1654292647 KGMAARHWUBRHRO-QGZVFWFLSA-N 457.596 2.671 10 10 JFCE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859004285 MLYDNJNQUOPBIT-UHFFFAOYSA-N 469.519 2.727 10 10 JFCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)n(C)c(=O)n4C)cs2)cc1 1859573643 UVUTWLHBPGYJAO-UHFFFAOYSA-N 457.537 2.760 10 10 JFCE CCC[C@H](NC(=O)c1cccn(CCC)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862016778 HZTWWWAELJSAPP-QFIPXVFZSA-N 454.571 2.514 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864021510 PDNQAPCLXHEHAM-NRFANRHFSA-N 488.548 2.806 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC)[C@@H]2c1ccc(O)c(O)c1 1864023181 VFCYZZMJCSEYFQ-CQSZACIVSA-N 470.448 2.570 10 10 JFCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H](S(C)(=O)=O)C1 2192660372 FXOBQBAVXVOJQA-KBPBESRZSA-N 483.812 2.930 10 10 JFCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCOCC5)c(C)c34)CC2)cc1 10013177 POTRIKZJCHMCOC-UHFFFAOYSA-N 453.568 2.807 10 10 JFCE CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 96893034 STNSLQWWJFJZEY-RIYZIHGNSA-N 461.268 2.773 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 248070392 SEXNWEVKWUTKEN-GUNRNRDWSA-N 480.521 2.980 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C(=O)c3ccc(Br)s3)cc2)CC1 1138228981 QNIRAJIWXIBUDV-UHFFFAOYSA-N 450.358 2.678 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cc2)CC1 1211512455 IKZLCLGOIJYPAG-UHFFFAOYSA-N 459.465 2.992 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3ccco3)CC2)cc1 1862037023 RXGJVOIVZCNDID-XMMPIXPASA-N 491.544 2.903 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864007718 SOWGNZAJNIWKGI-JOCHJYFZSA-N 477.565 2.745 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008510 LSEKABCIVFSKTR-IBGZPJMESA-N 470.913 2.703 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2 1865030604 MWFDDCQJTTWRGO-FQEVSTJZSA-N 498.580 2.763 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865033392 YRWKHQWFODWWFL-AVRDEDQJSA-N 490.560 2.832 10 10 JFCE CCC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921699 GHSPEWYANXJGBT-HRAATJIYSA-N 496.585 2.900 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400169 JWOZSYCRPFPZBD-HZPDHXFCSA-N 488.635 2.854 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 248046628 MPCZZXJLACWCGW-HJOGWXRNSA-N 470.614 2.890 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1508267494 DMWDIGHVOFUBLZ-JPYJTQIMSA-N 485.652 2.818 10 10 JFCE Brc1cc(CN[C@@H]2CCN(CCN3CCOCC3)C2)ccc1N1CCCCC1 1661398161 YOCLXORPJIUXFS-HXUWFJFHSA-N 451.453 2.936 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)CC1 1749776262 UHEHUXLKDZYGED-UHFFFAOYSA-N 450.591 2.548 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864008299 HTDXGEJVDRZQLS-QFIPXVFZSA-N 478.549 2.624 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019387 JXFVDSGETLOLPN-OAQYLSRUSA-N 478.549 2.752 10 10 JFCE COc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1 1865632688 CVSPCUYYHACZGB-HSZRJFAPSA-N 489.576 2.789 10 10 JFCE CCOC(=O)CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870451657 UXKRLIXFOAGKNG-DEOSSOPVSA-N 499.608 2.690 10 10 JFCE CNC(=O)COc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870568020 PILXZPNUWOFRND-UHFFFAOYSA-N 490.604 2.661 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc5c[nH]nc5c4)[nH]3)CC2)cc1 1871702000 NRPCQGULJRLWNR-UHFFFAOYSA-N 497.563 2.876 10 10 JFCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)CC1 2053515578 AUQUNUFCQWJFFS-UHFFFAOYSA-N 472.592 2.997 10 10 JFCE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 2314399953 FQGGWSFVNROTAC-UHFFFAOYSA-N 458.565 2.669 10 10 JFCE Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)n1-c1ccc(S(N)(=O)=O)cc1 25484400 ZYEBVXLTIJMMMW-UHFFFAOYSA-N 482.587 2.885 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]32)cc1 33630594 XQLPUGUATHQKFA-LMMUWCHVSA-N 465.550 2.568 10 10 JFCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCOCC3)nc12 33780922 WOAYJQVXUNSEPB-LGMDPLHJSA-N 456.593 2.983 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(OC)c3OC)CC2)cc1 1860333341 YCMHKOLDHUBIGX-OFNKIYASSA-N 453.539 2.581 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865028649 XGDVMYMNODOQRZ-QHCPKHFHSA-N 489.576 2.839 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865033295 WIRXPGDLQFQHNU-OAQYLSRUSA-N 476.533 2.524 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868900793 DIOJMPNLGSKSTF-GOSISDBHSA-N 479.606 3.000 10 10 JFCE COC(=O)COc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870446451 YGBCBCVZTSPERH-UHFFFAOYSA-N 491.588 2.974 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871667186 RNEAISQTJHTSAL-UHFFFAOYSA-N 498.591 2.810 10 10 JFCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873164835 UZLLJZKYUIAQCC-UHFFFAOYSA-N 450.583 2.896 10 10 JFCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)cc3)C2=O)ccc1Br 2294095683 YHBGVJXOXPTNIY-UHFFFAOYSA-N 459.252 2.887 10 10 JFCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(N(C)C)c(Br)c1 2297302821 QVEZWVHECCKLGP-UHFFFAOYSA-N 463.357 2.969 10 10 JFCE CCOc1cccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)NC2=S)c1 2297329801 OFRNRSWVEHNVBU-UHFFFAOYSA-N 457.464 2.842 10 10 JFCE CCN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 102429415 CTLPQMOYDRMZEJ-VAFHRPCXSA-N 452.623 2.704 10 10 JFCE COc1ccc(/C=C\C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 206311916 QIOFCELIMBJJAU-YHYXMXQVSA-N 456.524 2.849 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1 210434451 KKRJAXLKICWKMK-YBEGLDIGSA-N 464.546 2.553 10 10 JFCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018410 KRKACQPBDVFIDW-NRFANRHFSA-N 496.539 2.891 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865028919 BAJCJIYMXVJUPE-OAQYLSRUSA-N 469.586 2.506 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873164327 WOPKJAKORIPFTN-UHFFFAOYSA-N 485.588 2.691 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1 2294093668 BKADBUAZSAZZEE-UHFFFAOYSA-N 476.283 2.554 10 10 JFCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 2294581308 DNZDKMDEVPIXMB-UHFFFAOYSA-N 462.325 2.710 10 10 JFCE Cc1ccc(N2NC(=O)C(=Cc3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 2297307468 LVFBSIKHMCTEMZ-UHFFFAOYSA-N 456.911 2.548 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)c1C 1084120691 WSQAEEJBBKXHND-QGOAFFKASA-N 463.494 2.630 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1508252034 JXXAWZLWCNOCSZ-UHFFFAOYSA-N 458.582 2.559 10 10 JFCE COC(=O)[C@H](CCSC)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344959 KEMTWPSTPPJJCZ-FQEVSTJZSA-N 490.585 2.985 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861909119 BOEVRJQVRRCHTR-OAQYLSRUSA-N 470.551 2.776 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865418549 WDXSATMEBXEJJR-QFIPXVFZSA-N 488.592 2.912 10 10 JFCE O=C(NN1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O)c1ccccc1 1874180019 VYWWUTDXDVZRIO-MRXNPFEDSA-N 453.454 2.594 10 10 JFCE COCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414516 BLHASKRJWDOWJJ-HNNXBMFYSA-N 474.608 2.832 10 10 JFCE COC(=O)c1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 2331399805 YSCIMEADQPFDKP-UHFFFAOYSA-N 476.537 2.589 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012632 FQGPSLXRNBSANT-LHSJRXKWSA-N 496.539 2.626 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2 1865030342 IAQODAPCPZCFIQ-JXFKEZNVSA-N 498.580 2.763 10 10 JFCE CC[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867281643 QNXBMICOJDHYPK-REWPJTCUSA-N 470.529 2.993 10 10 JFCE CCOc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542135 PXDUICLJVSMMKW-LOSJGSFVSA-N 482.625 2.585 10 10 JFCE COc1cccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)c1 16915143 TUJVWNCZNGWAAP-RQZCQDPDSA-N 474.516 2.713 10 10 JFCE COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 33292961 VBEGVAPBEUSNCA-UHFFFAOYSA-N 493.589 2.949 10 10 JFCE COCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33888733 YOOVMQPSTUQSLX-NAVNFMRLSA-N 482.587 2.688 10 10 JFCE COc1cccc([C@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 59086931 YPNWDNDKDSHHQD-SBZFUYPRSA-N 477.517 2.602 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 254440084 AGZQEEJYOYJWAQ-HSZRJFAPSA-N 491.569 2.593 10 10 JFCE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 1301711771 QKZVDNSPAAYSDG-HXUWFJFHSA-N 481.645 2.758 10 10 JFCE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705564412 CAMFMEBOSKVQAR-SFHVURJKSA-N 461.607 2.747 10 10 JFCE O=C(CCNCc1cc(Cl)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860715119 NJETYSSEUVZCNR-UHFFFAOYSA-N 488.393 2.838 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865033412 YZKMYCADPFHLIJ-UTKZUKDTSA-N 476.533 2.524 10 10 JFCE CC[C@@](C)(NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866926059 DFTXPZDRDIYBQD-AKJBCIBTSA-N 496.585 2.900 10 10 JFCE CCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053493289 MMHOTJTVYBOXGL-UHFFFAOYSA-N 457.625 2.756 10 10 JFCE COC(=O)c1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 10671467 BPNRRIGYQMUIJI-WOJGMQOQSA-N 470.528 2.833 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2)cc1 742927982 DUFMJNSGFWUHPA-UHFFFAOYSA-N 466.630 2.699 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 1858590845 LOXUPPBCNLOLDV-LDADJPATSA-N 464.590 2.882 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865406930 TYHAUKTYEHWSSF-JOCHJYFZSA-N 488.592 2.820 10 10 JFCE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSc2nccs2)CC1 1286885882 RLYOXLMDEPPEOC-UHFFFAOYSA-N 491.668 2.577 10 10 JFCE CC(=O)N[C@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 1540567168 BQYKINRJKZLWDU-DEOSSOPVSA-N 457.596 2.700 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)SC1=S 1860826591 ITYGMXNXZLNLTO-VXPUYCOJSA-N 482.539 2.823 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864019721 PTFZRJANURMSBX-ZUOKHONESA-N 464.522 2.974 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2 1865030156 DPSRCIVNHYVVJN-FQEVSTJZSA-N 486.569 2.619 10 10 JFCE O=C(O)CCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2416709 HUYVPMGUQRKVAS-QGOAFFKASA-N 492.582 2.933 10 10 JFCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCOC(C)C)cc1C2=O 1873864409 IAWVXDUYZHTHIY-UHFFFAOYSA-N 467.474 2.858 10 10 JFCE COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874016283 DYLISNQXAXVCMU-FQEVSTJZSA-N 483.480 2.920 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 252677477 YWPFESBYZCDXLL-QFIPXVFZSA-N 492.557 2.773 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCCN3C(=O)c3cccs3)CC2)cc1 742919676 CCHKJOWMZSTPPI-OAQYLSRUSA-N 456.612 2.690 10 10 JFCE C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(CS(C)(=O)=O)c3)cc2F)C[C@H](C)O1 749193325 IFYOXQFGVSAVBP-IRXDYDNUSA-N 463.575 2.983 10 10 JFCE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCSCC2)cc1 1705621884 RDCIQTMVVHLQNX-UHFFFAOYSA-N 491.621 2.613 10 10 JFCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007285 JSADLNROABSSOZ-HXUWFJFHSA-N 450.495 2.821 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865031532 IVLUSIPEJDVMLX-GHTZIAJQSA-N 490.560 2.956 10 10 JFCE COc1cc(C=C2SC(=S)N(CC(=O)NCC(=O)O)C2=O)ccc1OCc1ccccc1 2323829087 UDJGWVKWYORQHK-UHFFFAOYSA-N 472.544 2.676 10 10 JFCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 16907925 VYXNAQUCRLWQIH-FOWTUZBSSA-N 464.546 2.635 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cn2cnnc2)cc1 20287466 XUCMKAQGVSVLMI-PXLXIMEGSA-N 475.465 2.886 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)n(C)n3)CC2)cc1 1869969067 CBUIIWHNPMCXSW-UHFFFAOYSA-N 471.905 2.964 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4OC)n(C)n3)CC2)cc1 1869969404 MLZTVQCVCPAKCM-UHFFFAOYSA-N 450.543 2.730 10 10 JFCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314837323 QZJXKENZBXUNAR-GFCCVEGCSA-N 452.554 2.752 10 10 JFCE CCN1C(=O)/C(=C2/SC(=S)N([C@@H](C)C(=O)OC)C2=O)c2cc(Br)ccc21 35110546 LOWMTYQCKHUVHD-PSISUFTRSA-N 455.355 2.949 10 10 JFCE CN(C)c1ccc(/C=C2/N=C(SCC(=O)c3c(O)on[n+]3C)N(c3ccccc3)C2=O)cc1 104842795 WRCKEPAEMNVXSK-QGOAFFKASA-O 464.527 2.631 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCCN(Cc4ccccc4)CC3)CC2)cc1 742939127 AETKDTMFDCHBKQ-UHFFFAOYSA-N 451.615 2.735 10 10 JFCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200958323 KRALRWLRUJEJBH-XIRDDKMYSA-N 479.574 2.905 10 10 JFCE CC[C@H](C)OC(=O)[C@@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944868 UWMSWBXJHLFAOU-NWDGAFQWSA-N 462.549 2.810 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)CC2)cc1 743432025 FEXRRZGUJYRBAD-UHFFFAOYSA-N 481.597 2.557 10 10 JFCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@H]3c2ccc(O)c(O)c2)c1 1864011343 HBLOWSIBPBZXHE-QHCPKHFHSA-N 491.592 2.640 10 10 JFCE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864022383 MSHQPNNDYBRMAD-MRXNPFEDSA-N 497.518 2.876 10 10 JFCE CC(C)(NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866907640 VUXKZOPZRJPGBT-OAHLLOKOSA-N 482.558 2.510 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(OC)cc4OC)n(C)n3)CC2)cc1 1869969084 CVMKCDRDZDHKHM-WUXMJOGZSA-N 478.553 2.819 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518653 OSDKKMLTGBZPEW-UHFFFAOYSA-N 464.530 2.524 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2136258734 LRZWWYAGRRWORR-CVEARBPZSA-N 465.547 2.659 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1 2297350782 TWNBCGPHQFRFOW-UHFFFAOYSA-N 479.547 2.931 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 729346752 DNYSBIPGKXORNN-JOCHJYFZSA-N 489.041 2.802 10 10 JFCE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705569458 HMMVSMHOPGVMQU-FQEVSTJZSA-N 473.618 2.891 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 1861931937 GWGAAQBFLUSWMR-NRFANRHFSA-N 471.579 2.576 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861956751 PKHXZKSLICTKID-JNKLARPZSA-N 452.511 2.860 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864014641 ZMJCPVJCBYYXGA-HXUWFJFHSA-N 471.602 2.809 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864015029 IISXINJMTUMCIP-YWZLYKJASA-N 478.549 2.809 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4)n(C)n3)CC2)cc1 1869969489 OBOCDOVWHPKWFN-UHFFFAOYSA-N 450.543 2.948 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc5c[nH]nc5c4)[nH]3)CC2)cc1 1871700316 KIHBYNWCTRFXBX-UHFFFAOYSA-N 473.585 2.738 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3ccccc3SCC(=O)NC(C)C)CC2)cc1 742916097 CCLYGXVINLUBOL-UHFFFAOYSA-N 470.639 2.864 10 10 JFCE CC(=O)N1CCc2sc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2C1 1667485331 XSJVALRULVCYAF-GOSISDBHSA-N 450.582 2.728 10 10 JFCE COc1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)N([C@@H](C)c4ccccc4)C3=O)CC2)cc1 1860382371 OZHKWUZNSFTHEQ-PGRDOPGGSA-N 450.539 2.806 10 10 JFCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864019972 SOSGHKSRILVEII-IBGZPJMESA-N 484.940 2.693 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)CC2)cc1 1868992384 RSOMURBFUGRYIE-UHFFFAOYSA-N 490.608 2.991 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869970088 NCPHPIUAWVNWTC-UHFFFAOYSA-N 469.549 2.980 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040499157 UHNYFHIRQWLYLT-UHFFFAOYSA-N 476.649 2.794 10 10 JFCE CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9222029 KZBMAQCXGFABHS-UHFFFAOYSA-N 469.494 2.659 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3COc4ccc(OC)cc4C3)CC2)cc1 15820902 AEYODDROIODGSB-FQEVSTJZSA-N 454.571 2.519 10 10 JFCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 1857997072 ZWUWQZUDDOSUBP-UHFFFAOYSA-N 464.519 2.919 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864011019 YFLDQYBVFBYMBB-OAQYLSRUSA-N 464.522 2.903 10 10 JFCE CCCOc1ccc(Nc2nc(=NC[C@@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871725261 AYDPOSJVKGLCOW-LJQANCHMSA-N 493.612 2.954 10 10 JFCE O=C1CN(c2ccc(CNC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CCN1 29473207 XYEBLXWQWBCHIY-UHFFFAOYSA-N 452.518 2.801 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCCOCCO)nc12 33362488 VXEXCYQFGMNNMG-GHRIWEEISA-N 474.608 2.568 10 10 JFCE COc1ccc(CN2C(=O)/C(=C\c3c(NCCCO)nc4ccccn4c3=O)SC2=S)cc1 33624044 GBZCFSQVDTUNBJ-QGOAFFKASA-N 482.587 2.899 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCCC(=O)O 210447360 VDXMTJAKLANJOW-ATVHPVEESA-N 494.572 2.643 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862151299 XACQWKNFZXKCLR-ZNGDTJSRSA-N 477.561 2.819 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864015027 IISXINJMTUMCIP-MGPUTAFESA-N 478.549 2.809 10 10 JFCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296715274 CDRPLSYRSBBPGA-UHFFFAOYSA-N 467.572 2.567 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c(C)c1 1084125213 PQOLMQNDBFONKL-ATVHPVEESA-N 450.451 2.715 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)[C@@H]2c1ccc(O)c(O)c1 1865025642 BCLWCBNLVJECJA-OXQOHEQNSA-N 484.553 2.509 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3Cc3ccc(C)cc3)CC2)cc1 1870369023 DZJUTJDSWIWAMG-UHFFFAOYSA-N 463.578 2.907 10 10 JFCE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC)C2=O)CC1 2040498540 MDFHFNQWMQXDJE-UHFFFAOYSA-N 487.607 2.503 10 10 JFCE C[C@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1)C(=O)O 2314931247 MZWMMGXPHNJRRM-LBPRGKRZSA-N 464.546 2.633 10 10 JFCE CC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328595725 PKHXZKSLICTKID-QFIPXVFZSA-N 452.511 2.860 10 10 JFCE COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 10674955 KULROHLNGIPXDO-GIJQJNRQSA-N 487.515 2.963 10 10 JFCE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 35241416 DEIMMTJXRPJHPP-NTCAYCPXSA-N 476.580 2.597 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017066 DNYCIJHRGUQGBK-FQEVSTJZSA-N 464.522 2.612 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2 1864018441 LCOMWHVKQXUHQJ-HXUWFJFHSA-N 492.532 2.674 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1869121603 XRZYZXKIIBCICG-SFHVURJKSA-N 463.586 2.848 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873166999 NSUUWBCJRNQFQK-UHFFFAOYSA-N 450.583 2.752 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)n3)cc2NC1=O 11857995 CGEMLQTWQMJWHY-LLVKDONJSA-N 470.532 2.849 10 10 JFCE COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)cc(O)c1O 14642649 XGTBMCGGGJLOPS-IRLDBZIGSA-N 456.403 2.831 10 10 JFCE biogenic COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 20332025 SVHQLMVUYLZRPI-JUORLOPYSA-N 495.546 2.686 10 10 JFCE COC(=O)c1ccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)o1 586233584 HBMSOBLQIYVOLR-UHFFFAOYSA-N 468.487 2.655 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c2)CC1 1466193021 NNWROJKZKXMWIT-XMMPIXPASA-N 452.603 2.846 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21 1565532483 RGGHTDNUGBUOLN-FTVJIILJSA-N 469.925 2.513 10 10 JFCE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865027253 WXKZIGBLAOOROU-HXUWFJFHSA-N 472.542 2.509 10 10 JFCE CSCC[C@H](NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C 2296943303 DCHVZOHFSKBYSQ-HNNXBMFYSA-N 498.399 2.969 10 10 JFCE O=C(O)CCOc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 2314932423 VYXNAQUCRLWQIH-UHFFFAOYSA-N 464.546 2.635 10 10 JFCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)c(Br)c1 104800966 LGMOVBWDJHLCGD-SSZFMOIBSA-N 477.359 2.993 10 10 JFCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 210402794 GFHPGMGAQZHEHG-GDNBJRDFSA-N 474.516 2.957 10 10 JFCE O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 918788009 DZXQRUBAUKUKDU-UHFFFAOYSA-N 478.520 2.758 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864011223 RUMDKAMAXMSHNG-HXUWFJFHSA-N 464.522 2.674 10 10 JFCE CC(=O)Oc1cccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867291467 MBSQHZYRVJUGNO-DEOSSOPVSA-N 466.582 2.751 10 10 JFCE CCC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868818785 WYTVGUVHIUCOEZ-HSZRJFAPSA-N 492.580 2.532 10 10 JFCE COCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873586216 NASYIPLLWYQRQC-UHFFFAOYSA-N 496.612 2.569 10 10 JFCE CCN(CC)c1ccc(C=C2N=C(c3ccc(S(=O)(=O)N4CCOCC4)cc3)OC2=O)cc1 2053614199 GMWIUFFIIAIDGZ-UHFFFAOYSA-N 469.563 2.898 10 10 JFCE CC[C@@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136243788 IARMKHQXTJCDMP-HOTGVXAUSA-N 467.563 2.953 10 10 JFCE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)S1 2293763612 TVYWWPHXURJLLG-UHFFFAOYSA-N 478.118 2.781 10 10 JFCE Cc1c(/C=C2\SC(=S)N(C)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 33812459 POESFISTSPCIAG-UNOMPAQXSA-N 483.594 2.862 10 10 JFCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)O 1083993197 OAVHSNDNUDZOAQ-WDZFZDKYSA-N 464.858 2.782 10 10 JFCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1 1858590918 OKKOEPQVMSXMHO-UKTHLTGXSA-N 455.564 2.748 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864010680 APKVYZSNKHPZID-AVRDEDQJSA-N 494.523 2.780 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865031535 IVLUSIPEJDVMLX-WIYYLYMNSA-N 490.560 2.956 10 10 JFCE CN1CCc2c(sc(NC(=O)CCN3C(=O)CSC3=S)c2C(=O)OC(C)(C)C)C1 1865767595 AFFLUFWPNVSQQO-UHFFFAOYSA-N 455.627 2.880 10 10 JFCE COc1cccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 2314933359 AUQPXRBJQRUYTM-UHFFFAOYSA-N 472.500 2.932 10 10 JFCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 38645417 FAXOFYIOZKPTKG-PGMHBOJBSA-N 466.632 2.978 10 10 JFCE CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 749008764 CEHTZZDROJQIKL-FQEVSTJZSA-N 473.618 2.835 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@](O)(c3ccc(C)o3)C(F)(F)F)cc2)CC1 1138229207 YELDADLVYRHIJE-NRFANRHFSA-N 453.461 2.713 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1 1864009436 HJWCGZSBPBDLCC-JOCHJYFZSA-N 494.548 2.693 10 10 JFCE C[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867259336 AGBCEJMAQBBBAU-NYHFZMIOSA-N 456.502 2.603 10 10 JFCE CCOCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871719310 DOUGDOWZGUDKQW-UHFFFAOYSA-N 479.585 2.916 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2200954079 WYSQPVBEFJNLFO-INIZCTEOSA-N 477.558 2.755 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1ccc2c(c1)NC(=O)CO2 11857889 QMJPAPIBMCLVBG-UHFFFAOYSA-N 472.504 2.695 10 10 JFCE COc1cc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1OCC(=O)Nc1nccs1 35520067 NXMAPZCENNLJJT-LFIBNONCSA-N 492.604 2.618 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 504095979 BYMISFGRUKMVOU-UDQIJZATSA-N 469.925 2.514 10 10 JFCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2053471905 GENOXLNJRSMFSK-UHFFFAOYSA-N 477.589 2.573 10 10 JFCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)cc1 2323702530 QWNFUMGOZPZXGM-UHFFFAOYSA-N 477.652 2.857 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2332910426 SGDFJAHCDIFDPT-XHSDSOJGSA-N 465.547 2.706 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2357907025 PNUDLVRJBWLXEE-RCJHGTSTSA-N 477.558 2.515 10 10 JFCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 102824362 VBVWCKQACUNTCK-YHZJOHHESA-N 474.608 2.832 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)cc2)CC1 857494438 NNVABBQOGKEFQX-UHFFFAOYSA-N 472.973 2.891 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(Cl)cc4)cc3O)cc2)CC1 1625193141 OPWADDNHDDRXTD-UHFFFAOYSA-N 453.930 2.830 10 10 JFCE COc1cc(/C=C2/SC(=S)N(CC(=O)NCC(=O)O)C2=O)ccc1OCc1ccccc1 1858596450 UDJGWVKWYORQHK-VCHYOVAHSA-N 472.544 2.676 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864013947 JRDRBAXVNHNFLA-LJQANCHMSA-N 458.559 2.750 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864021974 SHQZHHWDCDVRKL-HNAYVOBHSA-N 456.543 2.503 10 10 JFCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296715307 LEBRWYUCFYBWEL-UHFFFAOYSA-N 481.599 2.958 10 10 JFCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15044926 FRCNMEIZTFGQPK-WJDWOHSUSA-N 452.554 2.840 10 10 JFCE COC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 40839967 SVNZDTSUBIQNQP-MSUUIHNZSA-N 487.946 2.776 10 10 JFCE CCOC(=O)Oc1ccc(C(=O)N2CCC(CNC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 216543372 IOJZYOQMXMQZHR-UHFFFAOYSA-N 458.467 2.621 10 10 JFCE CN(C)c1ccc([C@H](CNCC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N(C)C)cc1 257625994 AEYMIEGYBKQAIO-QHCPKHFHSA-N 458.628 2.612 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 1565532586 TXDFHSXTKSUUGO-DVKZLHNRSA-N 475.545 2.620 10 10 JFCE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705628181 ZSNVXCOWXSENKW-HSZRJFAPSA-N 467.614 2.515 10 10 JFCE COC(=O)c1cccc(CCNC(=O)c2cnc(C)nc2C2CCN(C(=O)CCN=[N+]=[N-])CC2)c1 1857517552 MQHHPVBRURAMDA-UHFFFAOYSA-N 479.541 2.951 10 10 JFCE CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009866 MHDJEECMEOFTEX-NRFANRHFSA-N 492.532 2.810 10 10 JFCE O=C(O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(=S)NC3=O)cc2)c1)C(=O)O 2043120749 ZDOPULPHJIBVJX-QGZVFWFLSA-N 499.570 2.835 10 10 JFCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 102824358 VBVWCKQACUNTCK-YSKWHIJTSA-N 474.608 2.832 10 10 JFCE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 728748536 HCLUCJKNSKADLK-NHCUHLMSSA-N 459.635 2.544 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])s3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084366065 GSTQDEKZCLGHCU-FQEVSTJZSA-N 498.586 2.834 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864009891 MVFCMLAJPCIXOC-RLVMLRPRSA-N 494.592 2.907 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 1868611716 GSRVWBZLRZFXCO-UHFFFAOYSA-N 464.566 2.679 10 10 JFCE CCC1=Cc2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 13309601 KIEAOQXPJFQGAF-UWUGZLLCSA-N 465.502 2.951 10 10 JFCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 20207860 ZWDFDCBPGMWFJZ-VRENQZFPSA-N 457.537 2.724 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)CC1 1596165818 JESNLPBRXKPOJX-UHFFFAOYSA-N 463.586 2.546 10 10 JFCE CCOc1cccc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1O 1858588695 SRHFNQSGFQPBGL-MHWRWJLKSA-N 450.563 2.840 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3F)cc2)cc1 1858961109 XCOSTBOHGNURNB-UHFFFAOYSA-N 457.483 2.744 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864014640 ZMJCPVJCBYYXGA-FQEVSTJZSA-N 471.602 2.809 10 10 JFCE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1)C(=O)O 2314930657 HICNPBXFMYDSLJ-NSHDSACASA-N 473.488 2.993 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328473532 XTGXQEZMACJAIG-GOSISDBHSA-N 453.539 2.579 10 10 JFCE CCC1=Cc2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 13309593 KIEAOQXPJFQGAF-NNQGUDBFSA-N 465.502 2.951 10 10 JFCE biogenic O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 35518251 DSIDQDFXRQWHED-QGOAFFKASA-N 488.547 2.810 10 10 JFCE CCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCC)C2=O)SC1=S 35624532 BUWDKWMZOCIINT-YPKPFQOOSA-N 490.650 2.605 10 10 JFCE CCCn1c(=O)n(CCC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 742927034 FDJKJPWZNPSMGT-UHFFFAOYSA-N 465.598 2.550 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861964801 DPCBOWRQMGOWNX-RUZDIDTESA-N 482.600 2.552 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865029637 RWKPBXSJVZZMSM-QFIPXVFZSA-N 489.576 2.705 10 10 JFCE CCN(CC)CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871483258 LMNNRAWJLOWUPK-UHFFFAOYSA-N 490.656 2.856 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2040498408 JLCOUPBBRGMYNS-GJZGRUSLSA-N 474.608 2.546 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nc1-c1ccc2c(c1)NC(=O)CO2 11857988 SNGXZVBVMWLNOZ-UHFFFAOYSA-N 470.532 2.769 10 10 JFCE CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1 35962914 ITQDYIIMJQLHEU-XMMPIXPASA-N 483.588 2.659 10 10 JFCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 214758616 QTIQEAAVYASLAT-NTCAYCPXSA-N 451.526 2.947 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 252672784 QNPXYVAGRYRISI-HSZRJFAPSA-N 477.586 2.873 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864007604 QCYRDHQNJPMRPZ-NRFANRHFSA-N 464.522 2.828 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864018429 KYTSTNUONBCFAS-OAQYLSRUSA-N 478.549 2.939 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029854 WPCWEXYPSAGREG-MNVSYLFESA-N 456.543 2.589 10 10 JFCE COc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1 1865632689 CVSPCUYYHACZGB-QHCPKHFHSA-N 489.576 2.789 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869029232 IXXDQCNEYTYMCD-UHFFFAOYSA-N 460.372 2.774 10 10 JFCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2230117 HUWZZKARTFEKPG-SFQUDFHCSA-N 477.589 2.573 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nnc(-n5cccc5)s4)C3)CC2)cc1 15728094 UFLMSCXQZJFNBT-SFHVURJKSA-N 452.584 2.903 10 10 JFCE COc1ccc(N2CCN(C(=O)C[C@@H](C)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1 21872014 VXBJWTXJMPYEDA-GOSISDBHSA-N 485.606 2.505 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1 40314617 NUDLJBICRISJNM-DHIUTWEWSA-N 476.639 2.970 10 10 JFCE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)cc2)C1 1705925626 RTYSLRGNNRNZJV-IRLDBZIGSA-N 473.643 2.856 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1722745504 FMAUIXUMERVKKP-UHFFFAOYSA-N 490.612 2.795 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3c(OC)cccc3OC)CC2)cc1 1862124433 RQYHTLZTYIHTPV-IBGZPJMESA-N 471.579 2.576 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1 1864010125 PUPMNNSLQYHJIV-OAQYLSRUSA-N 478.505 2.752 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026821 BAZOBKMEGYCVHZ-OAQYLSRUSA-N 496.951 2.923 10 10 JFCE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314761301 RRPOSNWGWVHNJQ-UHFFFAOYSA-N 492.619 2.859 10 10 JFCE CCN(CC)C(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 20289276 OXVJYAJGAKUZMJ-XMSQKQJNSA-N 458.628 2.993 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 742919672 BZZOEIXQUSWOTH-OZXSUGGESA-N 498.624 2.663 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](CO)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027763 KPXPWTYRLUJVKO-UZUQRXQVSA-N 490.560 2.826 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865030999 WRDYKPYOAGUJGZ-HXUWFJFHSA-N 498.580 2.717 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2136241216 WKXHTDOSLRADNE-JYJNAYRXSA-N 465.547 2.706 10 10 JFCE O=S(=O)(O)c1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 2296605614 BXJVJUOEYHVTNK-UHFFFAOYSA-N 488.477 2.701 10 10 JFCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1Cl 2297360522 LEBVGLVJQGNVFV-UHFFFAOYSA-N 452.823 2.860 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 20332001 BBAGZOSUYHYDFD-JUORLOPYSA-N 495.546 2.686 10 10 JFCE COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619634 HPXKDFIICLTQFI-HSZRJFAPSA-N 478.549 2.915 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(OC(C)=O)cc3)CC2)cc1 1862066369 LOLHEYBYWPRTKE-QHCPKHFHSA-N 451.523 2.574 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012459 ADRFXFGLRDKLSW-QKKBWIMNSA-N 496.539 2.626 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864017139 GGWNRYSSOLSQPP-QFIPXVFZSA-N 491.592 2.917 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)CC2)cc1 1868938114 QRUTYUAIZMAYTP-KRWDZBQOSA-N 495.555 2.711 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1 1869034165 IBXPMGJAVRXQIX-FQEVSTJZSA-N 497.621 2.889 10 10 JFCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(C)C)ncnc21 1873557115 KNXPZWGKONSPFW-UHFFFAOYSA-N 452.559 2.505 10 10 JFCE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261228 JTUYQNLIQSXORT-ZBFHGGJFSA-N 467.563 2.953 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2200971902 PVILIMOHTBVFPO-YPCHGGDPSA-N 477.558 2.659 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@H](C)C(=O)O)C2=O)ccc1O 15044952 RZGRFEMLAUITFF-COOUDCDJSA-N 452.554 2.752 10 10 JFCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(O)c(Br)c3)C(=N)N21 96460899 WDBMRRCNTHYZBC-FLKJDDIFSA-N 457.331 2.555 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 210721848 YHJALFPASHCARM-GHRIWEEISA-N 461.590 2.954 10 10 JFCE CCOC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2N(C)c3ccccc3C2(C)C)c(=O)n1C 254480780 JLDISEGRFANHIB-UHFFFAOYSA-N 474.586 2.530 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)cc3Br)CC2)cc1 743432178 HSFFDAPAXXVGJX-UHFFFAOYSA-N 475.387 2.643 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)cc2)CC1 1154276251 PJXLDAMJUYPYAY-RTWAWAEBSA-N 458.603 2.911 10 10 JFCE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1722797923 QXTGYMDDTAFISK-UHFFFAOYSA-N 497.688 2.504 10 10 JFCE CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858396151 FKQHNTPJEHULCS-FQEVSTJZSA-N 457.596 2.617 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865027605 JSSWSASPMYDLSP-MBSDFSHPSA-N 490.560 2.577 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865030330 HYEQXPNHYHTCFO-FQEVSTJZSA-N 472.586 2.972 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc21 1867058617 LRMYEWAEBGTSQK-SJBKTWHCSA-N 454.482 2.681 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868901677 PPPGMIOHKLANHG-UHFFFAOYSA-N 465.579 2.611 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=N)N21 20206823 YDFKBSBFAVDKOT-PMOKRTJVSA-N 498.542 2.926 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 35963740 RHMARWDJTJXYKU-QHCPKHFHSA-N 482.581 2.995 10 10 JFCE COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40928140 WMJWHVGAIJISMX-XDJHFCHBSA-N 492.619 2.859 10 10 JFCE O=C1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)cc2)CCN1 106187310 NNLOQRZSTPPBHD-UHFFFAOYSA-N 458.497 2.668 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864017879 XQSYJZPLWJLONB-HXUWFJFHSA-N 464.522 2.693 10 10 JFCE CC(=O)NCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167815 YQMHWLKFWBEOHU-UHFFFAOYSA-N 491.636 2.776 10 10 JFCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2140602445 PSZLXDJHIBIKKT-QFIPXVFZSA-N 474.627 2.810 10 10 JFCE CCCOC(=O)[C@H](CC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944796 BQKMCFGRYMGWLF-ZDUSSCGKSA-N 462.549 2.811 10 10 JFCE CN(C)c1ccc(CNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 8583621 UHODNQKTCNXGTO-UHFFFAOYSA-N 486.594 2.542 10 10 JFCE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 12758880 POXOKBMQNUKVQF-RGHBXIHOSA-N 474.633 2.628 10 10 JFCE CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O 105679485 LCUDDFAELKJQGV-PKOBYXMFSA-N 467.430 2.685 10 10 JFCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4ccccc4)CC3)cc2F)C[C@H](C)O1 916972855 BZDPMKCRGDQPGP-SFTDATJTSA-N 454.590 2.873 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)cc2C)C1 1359361976 PFJOQAXWXXYITQ-QFIPXVFZSA-N 461.614 2.991 10 10 JFCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc21 1464372615 GTAZXQIHULQDJG-SFHVURJKSA-N 456.612 2.777 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)COc4ccc(Cl)cc4)C3)CC2)cc1 1858370859 DIGTXAMJKPPTDM-SFHVURJKSA-N 457.958 2.925 10 10 JFCE O=C(C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)OCc1ccccc1)OCc1ccccc1 1865875838 JXKORPVVMRNFGS-LJQANCHMSA-N 465.458 2.779 10 10 JFCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)c2nccn2C)cc1 1866068033 HENNRGWJTLIWIC-JOCHJYFZSA-N 459.506 2.618 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCN(C)C)CC2)cc1 1870567120 LJVHHCJWKMNWON-UHFFFAOYSA-N 495.624 2.925 10 10 JFCE O=C(CN1C(=O)SC(=Cc2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCO2 2293829942 HCVAGMQHGBWYHD-UHFFFAOYSA-N 467.503 2.927 10 10 JFCE CC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)[nH]c2ccccc12 2296079119 DMCMZKXVYMMBIT-UHFFFAOYSA-N 450.495 2.817 10 10 JFCE CC[C@H](C)OC(=O)[C@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944869 UWMSWBXJHLFAOU-RYUDHWBXSA-N 462.549 2.810 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 10069879 ZGZKQPFBYDXEQZ-UHFFFAOYSA-N 472.394 2.884 10 10 JFCE COc1cc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c(N2CCOCC2)cc1OC 20496624 UWHJSEVWHSHZCI-UHFFFAOYSA-N 491.566 2.693 10 10 JFCE Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 40940606 CZLOGFIUXXCIFC-XSFVSMFZSA-N 497.598 2.779 10 10 JFCE CC[C@@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862124365 QCJODTPQZUCMNX-RUZDIDTESA-N 455.555 2.960 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(CC)CC1)[C@H]2c1ccc(O)c(O)c1 1865033756 HQHKPZSXAZGJQB-INIZCTEOSA-N 495.502 2.582 10 10 JFCE CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 14653426 MZSQOHGDIIORRB-ZHACJKMWSA-N 453.455 2.667 10 10 JFCE CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 19848982 XVLZDGWUSHUVAJ-GRXQJBFDSA-N 459.296 2.838 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1 254817457 WMDWUDGQMXFQOS-FQEVSTJZSA-N 453.589 2.926 10 10 JFCE CC(=O)N[C@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 1124835935 QDLKQEVRBPLUSH-DEOSSOPVSA-N 457.596 2.699 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)n(C)c(=O)n2C 1859573136 ABFSITAZZOSKPC-UHFFFAOYSA-N 471.520 2.957 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)N4CCCCCC4)cc3)CC2)cc1 1872725154 UJLUNKVHXTVLDA-UHFFFAOYSA-N 487.622 2.988 10 10 JFCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297302883 HJRPQDUCRGBRJM-UHFFFAOYSA-N 495.469 2.833 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2297346188 KNKONWYGSRXXHS-UHFFFAOYSA-N 498.542 2.926 10 10 JFCE CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20560292 FPTBXPLERBWZLX-XMMPIXPASA-N 464.566 2.997 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 103068126 JCLKBOUXFOIRQJ-QGOAFFKASA-N 476.942 2.949 10 10 JFCE CCN(CC)CCCN(Cc1ccc2c(c1)CCCN2C)C(=O)[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 575314745 HDIBFYYLDAZXAO-XMMPIXPASA-N 494.684 2.750 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)cc2)CC1 1616252388 QUZQYAPAIQITHO-FQEVSTJZSA-N 452.530 2.554 10 10 JFCE CC(=O)N1CCCc2cc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccc21 1668077622 YCXIOHLOUAXNBF-UHFFFAOYSA-N 456.568 2.542 10 10 JFCE COc1ccc(CCC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861938686 RQNWPSWDZHDMFZ-QHCPKHFHSA-N 469.607 2.887 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864019134 GUHVVNPWWRFCBO-ASSNKEHSSA-N 494.548 2.983 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865031416 GJPZQLNYKPSZNE-IIBYNOLFSA-N 490.560 2.907 10 10 JFCE O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178974 FBMCDZZZBRQJRJ-HXUWFJFHSA-N 453.454 2.931 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 2294093710 HJYHBFGYSZVDOY-UHFFFAOYSA-N 489.278 2.676 10 10 JFCE COc1cc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 2323812678 STDMYHASYPQQMP-CQSZACIVSA-N 476.488 2.912 10 10 JFCE CCOC(=O)/C=c1\s/c(=C\c2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1 3372844 ZECUAWOGBFIEGX-JZTLMNBPSA-N 470.978 2.685 10 10 JFCE COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 1084326825 CXSBTCOFTFZKKA-LCYFTJDESA-N 493.310 2.971 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1301768180 SYVKXZLKZYZQBP-YADARESESA-N 485.652 2.719 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 1668582267 XIKQQSSNAMFUOK-UHFFFAOYSA-N 455.502 2.994 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865029414 MQJLCJAZRPHXGX-HSZRJFAPSA-N 492.576 2.974 10 10 JFCE CCN(C(=O)CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296885100 CKGQMJGLVQGLRU-CYBMUJFWSA-N 459.014 2.577 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CSCc3ccccc3)CC2)cc1 11796534 JKWWYNHLUZQXBV-UHFFFAOYSA-N 477.652 2.587 10 10 JFCE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1 210422291 DQOSYASKQRKIFI-YBEGLDIGSA-N 473.488 2.995 10 10 JFCE Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccn1 914903102 FDJPFOHBLPDFDI-RDJZCZTQSA-N 470.551 2.559 10 10 JFCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 1084618335 QJPDXYHOJVULGM-VGOFMYFVSA-N 469.406 2.787 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 1861968362 KQCAZGYFMGQUHS-OAQYLSRUSA-N 464.610 2.761 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(N(C)C)cc3)CC2)cc1 1862294629 FEOIMAALIFUTKP-QFIPXVFZSA-N 454.596 2.625 10 10 JFCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871532402 LEXBGDKQIMLURL-UHFFFAOYSA-N 477.569 2.735 10 10 JFCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945116 NMAVUNCNNCXIBY-GOSISDBHSA-N 482.539 2.994 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CCO)COCc1ccccc1 2369515954 JYSIIBHQXRHDRL-PMACEKPBSA-N 474.554 2.618 10 10 JFCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 96912690 OJWCPRLYVHEPNX-AQWUKCDYSA-N 493.029 2.713 10 10 JFCE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1705792456 UGJYVGWOAUWSIV-IBGZPJMESA-N 463.604 2.555 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865032722 JDMZJDNRWNPNGW-OPAMFIHVSA-N 490.560 2.771 10 10 JFCE CCc1ccc(Nc2nc(=NCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584897 FGAZPYRWDBJDAO-UHFFFAOYSA-N 476.629 2.908 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCOC(C)C)n4C)CC2)cc1 1873568693 SWHMXNCJMGYTQP-UHFFFAOYSA-N 466.586 2.848 10 10 JFCE CN(CCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1O 1912191093 NBYHCABTNPZIHU-UHFFFAOYSA-N 472.024 2.984 10 10 JFCE CC(C)(CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136246451 YUUSDFKELSONHS-HNNXBMFYSA-N 467.563 2.953 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)CC2)cc1 2330582007 DRGWHWWKHVLPKQ-UHFFFAOYSA-N 495.576 2.886 10 10 JFCE COc1ccc(N2CCN(c3ncnc(N4CCN(c5ccc(F)cc5)CC4)c3N)CC2)cc1 40727911 YOCJEZKNQJXAIB-UHFFFAOYSA-N 463.561 2.860 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 1860827102 RUNDHGFAPJXKAV-HNENSFHCSA-N 485.518 2.857 10 10 JFCE CC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868793650 QYLSVKUYAZHJFN-CCLHPLFOSA-N 478.593 2.682 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 1868978541 IQLPSNMRJLEPOW-OAQYLSRUSA-N 494.621 2.681 10 10 JFCE COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874016236 DBDZHJGHQALMJJ-NRFANRHFSA-N 483.480 2.920 10 10 JFCE CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 33581938 LDWZSOPBDAFDNC-OBGWFSINSA-N 469.636 2.980 10 10 JFCE CN(C)c1ccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 65098890 DCKQGICNMUOCIA-UHFFFAOYSA-N 461.569 2.579 10 10 JFCE CC(=O)N1CCC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2O)C1 1741032063 XZVGNHXTXIRYPU-HXUWFJFHSA-N 451.575 2.740 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861957016 WPLNRGZTTSVOOA-QMZDIEEXSA-N 464.522 2.956 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864008352 ISQQSLUWVWVADZ-NRFANRHFSA-N 459.506 2.675 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864011874 ZJSZQZULCUWAOA-FQEVSTJZSA-N 471.602 2.717 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864013464 WYZUQOKEKXUVTC-SZNDQCEHSA-N 496.539 2.626 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3ccccc3Cl)CC2)cc1 11796590 LMMUELQLMZMAEL-UHFFFAOYSA-N 466.003 2.549 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C=O)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40318140 VKOANHLFMGMRKJ-DNQXCXABSA-N 474.623 2.774 10 10 JFCE COc1cc(Cl)c(OC)c(N2C(=O)[C@@H]3[C@@H]4CCCN4C4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 247870298 CUJNFUYPFZNNDR-QXAKKESOSA-N 480.904 2.759 10 10 JFCE Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)NC2=S)cc1 1084422509 TWBWWBBDKLZVOH-KGENOOAVSA-N 488.569 2.640 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(OC)c3)CC2)cc1 1862047334 SIDTXKUCAFDKEQ-JOCHJYFZSA-N 457.596 2.904 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865025512 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1864021665 FCSXRPPOWVGZBI-OAHLLOKOSA-N 475.427 2.918 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(O)cc1 1865114487 ZGLUDBIHWGLLGH-QHCPKHFHSA-N 489.576 2.969 10 10 JFCE CCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1873559939 KDBFZLMCYMUYNZ-UHFFFAOYSA-N 466.586 2.895 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc2N(C)C1=O 11857887 HMKWSEDXPNJILG-SNVBAGLBSA-N 472.504 2.789 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857967 WYEALHYUUOLVOH-UHFFFAOYSA-N 470.532 2.769 10 10 JFCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33812595 IXDIQIQBJYKHPR-PDGQHHTCSA-N 459.641 2.800 10 10 JFCE CCOCCCN1C(=O)/C(=C\c2c(NCCOC)nc3c(C)cccn3c2=O)SC1=S 33920817 AJFFYUDLZBWHGB-DTQAZKPQSA-N 462.597 2.689 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@H](C4)[C@H]4CCCC(=O)N4C5)nc3)CC2)cc1 257194964 VBLDTDBCRAZPDK-QFZWGZQFSA-N 489.620 2.890 10 10 JFCE COc1ccc(N2CCC(NC(=O)[C@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 726562403 JMHGKUGOJGJGMR-SFHVURJKSA-N 476.555 2.833 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)n(C)c(=O)n2C 1859570474 NEGCQPWTVHJSSL-UHFFFAOYSA-N 458.521 2.808 10 10 JFCE CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861956750 PKHXZKSLICTKID-CGIBVWHJSA-N 452.511 2.860 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864018080 CCXGWAVNZYMZQD-FQEVSTJZSA-N 464.522 2.766 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cn(-c4cc(OC)c(OC)c(OC)c4)c(=O)cc3O)CC2)cc1 1870130407 LBSCOJRMXCMCER-UHFFFAOYSA-N 495.532 2.540 10 10 JFCE COc1cc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)cc(I)c1O 2293509347 HXAJHFMLVBILNT-UHFFFAOYSA-N 454.195 2.606 10 10 JFCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(I)c1OC 2293911588 OAMIBAAUVFUKGT-UHFFFAOYSA-N 479.317 2.984 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2304357 XBNKXRJBNULJFX-GZTJUZNOSA-N 457.625 2.612 10 10 JFCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 727743166 PFCKOYCIKGFBJE-UHFFFAOYSA-N 452.580 2.965 10 10 JFCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1 918462531 BXJNNYIZEKUFJO-HXUWFJFHSA-N 463.582 2.634 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC3CCN(c4cccc(OC)c4)CC3)CC2)cc1 1251330558 HPMHGQDQFMTNGY-UHFFFAOYSA-N 467.614 2.794 10 10 JFCE CC(=O)c1cc(F)cc(CN2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1O 1659913959 ZYBYQHNFIBWEJM-UHOSZYNNSA-N 463.506 2.748 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cc1 1859005280 MTBXLZKLXBLTKZ-UHFFFAOYSA-N 453.520 2.648 10 10 JFCE CCOc1ccccc1OCC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175018 WAXZQMIDHYTNMZ-UHFFFAOYSA-N 455.555 2.716 10 10 JFCE COc1ccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(O)cc2=O)cc1 1866269074 XCEWOXMJMVULLE-QHCPKHFHSA-N 491.592 2.970 10 10 JFCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488827 UJZMMMLKEMMXDB-UHFFFAOYSA-N 484.004 2.814 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2053508583 ANCHOWIBKSYOKZ-UHFFFAOYSA-N 481.603 2.749 10 10 JFCE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CC)C2=O)CC1 2314399365 TURQMXGNVAVFIX-UHFFFAOYSA-N 487.607 2.503 10 10 JFCE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 16909618 TWGMMRGEMONCCS-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3ccccc3)CC2)cc1 38483518 YJXNXELMCUHSDP-UHFFFAOYSA-N 471.565 2.520 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 56966429 AXWITBQNJFEKAO-UHFFFAOYSA-N 450.461 2.591 10 10 JFCE O=C1c2ccccc2C(=O)[C@@H]2C=CC(NC3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)=C(Cl)[C@H]12 101349129 XCYXJSNBCYENDD-RHSMWYFYSA-N 469.862 2.965 10 10 JFCE CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 103859945 MDHSBYSFTBTDPA-FEEIMYBTSA-N 467.279 2.997 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](NC(=O)CC(C)C)c3ccccc3)cc2)CC1 1296398660 BODJQDZZYBSIST-VWLOTQADSA-N 450.583 2.875 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(N4CCCC4=O)c3)C(C)C)CC2)cc1 1868609351 UEAPNTHKNKNVNE-VWLOTQADSA-N 478.593 2.925 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871601452 HTWHUWPLLJPKPO-UHFFFAOYSA-N 468.565 2.801 10 10 JFCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc21 11857892 XWWXJIBIPNTETL-UHFFFAOYSA-N 486.531 2.801 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CC1 35963753 YWCYUIOSUJJJTH-QFIPXVFZSA-N 468.554 2.605 10 10 JFCE CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 103040662 FCGHQSOTJDSEBF-KTZOAPACSA-N 452.623 2.705 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccncc4)c4ccccn34)CC2)cc1 1858223838 GVNYSWXODUTPHW-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE Cc1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859005754 MFRIZWHDJNXKNX-UHFFFAOYSA-N 483.546 2.792 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccn(Cc4ccc(F)cc4)c3=O)CC2)cc1 1862025812 YLVIVLHULLVING-IBGZPJMESA-N 492.551 2.511 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010904 QKRAVOOHGGLQJU-LJQANCHMSA-N 452.486 2.934 10 10 JFCE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866120641 FPWFERGOZUWNOD-OAQYLSRUSA-N 485.496 2.961 10 10 JFCE CN1CCC(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1 1873863982 PFPNBORBOCAJAI-SANMLTNESA-N 457.578 2.999 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)[C@H]4Sc5ccccc5NC4=O)CC3)CC2)cc1 33140664 BZQVOSNDRSTULY-QHCPKHFHSA-N 494.617 2.695 10 10 JFCE CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c2ccccc21 39861770 UFZGWMHYSIAUCU-NXVVXOECSA-N 468.468 2.752 10 10 JFCE CCN(CC)c1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 54421858 NHHJACFJBSKYON-NFBKMPQASA-N 458.580 2.889 10 10 JFCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459954 HGRMEJHVRMVWIX-HSJXSQSUSA-N 484.515 2.536 10 10 JFCE CN(C(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 103040729 UJCLDEOOPYRGEZ-GWQWUEFDSA-N 459.014 2.577 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3cc(OC)ccc3OC)CC2)cc1 1862238989 OSZADGLDLQOFGW-WKULQNPOSA-N 497.617 2.976 10 10 JFCE NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016736 WMAKLNCXCMDDMK-NRFANRHFSA-N 499.527 2.539 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032401 BNKFFJGMRFNTAL-OAQYLSRUSA-N 476.533 2.708 10 10 JFCE CCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542134 PXDUICLJVSMMKW-JWQCQUIFSA-N 482.625 2.585 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CN(Cc2ccccc2)C1 2136258273 HMAYVHKFCGQNFR-FQEVSTJZSA-N 455.555 2.782 10 10 JFCE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2162520662 OHBDRBONMAUCQD-UHFFFAOYSA-N 474.562 2.602 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)COc2ccc(N)cc2)C1 2271977790 FCOSCQZRUTZYMD-UHFFFAOYSA-N 464.563 2.620 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 1858074552 LLXQELGFHSTVTE-XMMPIXPASA-N 488.654 2.586 10 10 JFCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3cnc[nH]3)C(=O)O)C2=O)cc1 1858587128 OCWLKUGLVIYGIP-WENWWWKYSA-N 488.591 2.554 10 10 JFCE CSCC[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344724 BHMJXJIYDQODFO-INIZCTEOSA-N 462.575 2.805 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018151 DJNIJVYVYDZDRQ-HXUWFJFHSA-N 473.489 2.845 10 10 JFCE COc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867293840 MTGHMPZKVLSPRK-QFIPXVFZSA-N 468.598 2.843 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3cc(OC)ccc3OC)CC2)cc1 2331197105 OSZADGLDLQOFGW-HSZRJFAPSA-N 497.617 2.976 10 10 JFCE Cc1c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33383574 OUGVXNXYWBWTAR-CLXYIWAZSA-N 458.609 2.936 10 10 JFCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33621347 BDVSQARLBDRXLB-DTQAZKPQSA-N 462.597 2.689 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)C1 1690789461 GTGCQDRAIIDXNT-IAGOWNOFSA-N 450.634 2.726 10 10 JFCE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1OC 1859004434 UOBARBCMEZUADH-UHFFFAOYSA-N 499.545 2.736 10 10 JFCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031292 DPIUWUQCWNRFNP-NRFANRHFSA-N 489.576 2.840 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865033653 FORABQBBQVGMQF-CJNGLKHVSA-N 496.486 2.647 10 10 JFCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871645677 QNQRCODZMCTXSX-UHFFFAOYSA-N 469.977 2.506 10 10 JFCE CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136253071 IZTBUZXTFSATQH-INIZCTEOSA-N 467.563 2.907 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNC3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@H]34)C2=O)c1 2297511342 DCXLJAINQRQEKK-NQIIRXRSSA-N 453.454 2.817 10 10 JFCE CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)C(=O)N2 504688779 ONEXPVCGLIADDB-ZSFWRHGTSA-N 497.551 2.824 10 10 JFCE biogenic COc1ccc(N2CCN(CCNC(=O)NCc3cccc(CN4CCO[C@H](C)C4)c3)CC2)cc1 726241079 ARTSXRXCBQCBTJ-JOCHJYFZSA-N 481.641 2.537 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCc4nc(C)nc(C(F)(F)F)c4C3)cc2)CC1 857494589 RKALMBJSCXKGPG-GOSISDBHSA-N 475.515 2.894 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)CC1 1705954605 QVFIQAMJGZWJMO-UHFFFAOYSA-N 498.653 2.844 10 10 JFCE CCCCS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1858623746 GFOMVAUFKFJFAA-UHFFFAOYSA-N 455.536 2.741 10 10 JFCE COc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)cc1 1859616615 UJLFAUCTTRREIF-UHFFFAOYSA-N 467.437 2.974 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864013468 XBNAQHBPZCXICL-OAQYLSRUSA-N 496.539 2.891 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032435 CHKDQNKOFLZFDM-LJQANCHMSA-N 484.940 2.645 10 10 JFCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871684996 RPNPXLLEVRKLBR-UHFFFAOYSA-N 485.539 2.521 10 10 JFCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccs2)SC1=S 2314837743 WFUDVUAJPBISQG-SNVBAGLBSA-N 453.592 2.624 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314933059 RXZZOASJILEPBV-NSHDSACASA-N 462.505 2.995 10 10 JFCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3cccnc3)CC2)cc1 20289382 IYTZCNQJFKVAFM-NTKDMRAZSA-N 493.633 2.836 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3ccccc3C)CC2)cc1 38483363 KIOVRVSCLXNSFW-UHFFFAOYSA-N 471.565 2.900 10 10 JFCE CCC1=Cc2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 257463662 KIEAOQXPJFQGAF-WDOOGCPGSA-N 465.502 2.951 10 10 JFCE CCCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)C=[N+]=[N-] 1073349396 IIPZPLSBQVJCBO-HJNYFJLDSA-N 487.601 2.623 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cc(C)c(OC)cc4C)C3)CC2)cc1 1858403816 BGILQBGCPGNKNN-HXUWFJFHSA-N 487.622 2.680 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C(=O)O)o3)c3ccccc32)SC1=S 1860826394 FATRHMXCVVHXDL-NXVVXOECSA-N 458.473 2.571 10 10 JFCE CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153825 UYMKVYJRENXDTP-PXWJQCMDSA-N 465.550 2.723 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026829 BFMAFLOBGFCCIG-OAQYLSRUSA-N 496.951 2.923 10 10 JFCE COc1ccc(CCn2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1 1870120282 UXAORPYTRUDFGY-UHFFFAOYSA-N 463.534 2.776 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549025 GPHMVXBCPWUZLH-UHFFFAOYSA-N 490.656 2.775 10 10 JFCE CCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873551008 WKVRUIPHRYGXQZ-UHFFFAOYSA-N 480.613 2.877 10 10 JFCE CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040498478 LBKNWXPBFSRJBB-UHFFFAOYSA-N 452.517 2.866 10 10 JFCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 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COC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826983 NMAVUNCNNCXIBY-VZCCSQPZSA-N 482.539 2.994 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864012210 UPNOEHZZOZDPLH-HTAPYJJXSA-N 494.523 2.780 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864014509 WUHHWHGPVKIYRZ-HXUWFJFHSA-N 472.586 2.876 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019385 JXFVDSGETLOLPN-NRFANRHFSA-N 478.549 2.752 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1868045612 NYFQFDGMUSNWOC-JOCHJYFZSA-N 493.564 2.990 10 10 JFCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 2314931302 DQBAXNGLWGBIED-UHFFFAOYSA-N 474.516 2.713 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2)C(=O)C1CCC1 40389475 PEWGRTNFYVKLOA-NRFANRHFSA-N 466.538 2.707 10 10 JFCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152286 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CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCN(C)C)[C@@H](C)C1 1722780214 FXCPCGWTBTYCTQ-NRFANRHFSA-N 493.656 2.988 10 10 JFCE CCc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1 1861903927 DOSUCPFONUGVDC-FQEVSTJZSA-N 475.593 2.970 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864012212 UPNOEHZZOZDPLH-VGOFRKELSA-N 494.523 2.780 10 10 JFCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018396 KIXWANQPPBRJHH-RBZFPXEDSA-N 498.967 2.750 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865030121 CVNMPJPDWGFAAJ-OAQYLSRUSA-N 483.613 2.762 10 10 JFCE CCCCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872718373 OUSVGXZNWCCFJS-UHFFFAOYSA-N 462.568 2.928 10 10 JFCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2297351137 IUOWWDZASBZQDH-UHFFFAOYSA-N 450.454 2.609 10 10 JFCE Cc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314827425 DRKOIIANVFLXCE-UHFFFAOYSA-N 461.590 2.872 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(OC)cc3OC)CC2)cc1 2330493340 MYIPNWJGTBXGST-QHCPKHFHSA-N 497.617 2.976 10 10 JFCE CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 10960401 PYDVUQGHSHATFL-NRFANRHFSA-N 470.481 2.518 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 1861950192 UXPMOPLNWUNVNT-NYYWCZLTSA-N 458.356 2.936 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031298 DRVAVUWXTIQZFL-FQEVSTJZSA-N 492.532 2.605 10 10 JFCE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136255470 GULLWBZUDNYCMQ-HOCLYGCPSA-N 467.563 2.905 10 10 JFCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C)cc1 2297345329 NCOMTJWGFKLXFA-UHFFFAOYSA-N 498.542 2.844 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 95927073 BGDWOFBADRXQIK-ATVHPVEESA-N 464.565 2.762 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3CSc3nc[nH]n3)cc2)CC1 1567592626 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CCC1=Cc2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 257463661 KIEAOQXPJFQGAF-SXZLRMMJSA-N 465.502 2.951 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCS(C)(=O)=O)[C@@H](C)C1 1540977578 HHQNTRYNOGVDMU-IBGZPJMESA-N 498.653 2.844 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862050150 XIIUHAGMTCVPRB-RPWUZVMVSA-N 483.634 2.941 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008759 RHTHQUIYVBJUET-OAQYLSRUSA-N 464.522 2.748 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871528990 YCSYJXOPAGOTAO-UHFFFAOYSA-N 476.629 2.963 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1 1873169440 ASAOKJBFUCCAAJ-UHFFFAOYSA-N 450.583 2.752 10 10 JFCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951416 BAWNBEDUDNKORY-BBWFWOEESA-N 479.574 2.953 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)cc1 4762915 TWOBNBVSSHMFQJ-JOCHJYFZSA-N 485.631 2.995 10 10 JFCE COc1ccc(N2CCN(C(=O)CCCc3nnc4n5nc(C)nc5c5ccccc5n34)CC2)cc1 9860209 AACGWMIITMXXDR-UHFFFAOYSA-N 484.564 2.914 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)c3ccco3)CC2)cc1 38619705 LCBGOUQCOQUEBA-OAQYLSRUSA-N 492.532 2.635 10 10 JFCE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 728396845 BVUWFSNICHICAV-UHFFFAOYSA-N 467.614 2.751 10 10 JFCE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[C@@H](C)O)cc1 746424542 CDKMJRRLUAKUPP-YKSBVNFPSA-N 469.607 2.789 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 1861997335 RUNSOEFRYGFNFE-IFMALSPDSA-N 482.600 2.900 10 10 JFCE CC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862167975 IZCQEAPRHWLXNE-SKCUWOTOSA-N 492.620 2.677 10 10 JFCE COCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)cc1 1869970307 IBQLXGIPVHKGCD-UHFFFAOYSA-N 456.934 2.841 10 10 JFCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCc2cnc[nH]2)[nH]1 1871558746 DFFMPCMOQQIIIP-UHFFFAOYSA-N 499.623 2.734 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCCC3)nc12 2053496695 HMIOXQIWFLOCPU-HNNXBMFYSA-N 456.593 2.983 10 10 JFCE O=C1/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803784 HQBGSJWSOZFKLN-LFIBNONCSA-N 456.524 2.639 10 10 JFCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989711 GPWFAEXUXSOOPM-VJMCZWTHSA-N 460.581 2.570 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076761 GJIOQEGEWMPETM-UHFFFAOYSA-N 471.491 2.768 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3nc(-c4ccncc4)no3)C(C)C)CC2)cc1 728131812 DMRLIZCQKLBHNW-QFIPXVFZSA-N 479.585 2.959 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)c1 1860842579 DKLGDDIAFQAGBF-QFIPXVFZSA-N 467.526 2.741 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 1861997341 RUNSOEFRYGFNFE-UNMCSNQZSA-N 482.600 2.900 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CCCN(C)C3)CC2)cc1 1862000620 DMYLYTOGNXPWOI-PXDATVDWSA-N 482.600 2.552 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(O)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028395 UBZFTXAOXGIHTJ-QHCPKHFHSA-N 490.560 2.637 10 10 JFCE Nc1ccc(NC(=O)Nc2c(I)ncnc2I)cc1 1876148251 DXSXYFWYZGXUML-UHFFFAOYSA-N 481.035 2.912 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N(C)S(=O)(=O)c4ccccc4)ccn3)CC2)cc1 9152028 AYCFNRQXJVJCTR-UHFFFAOYSA-N 466.563 2.878 10 10 JFCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)cc1 65077175 OATTUEJDXBERMI-UHFFFAOYSA-N 489.619 2.642 10 10 JFCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 102847724 POWCQYYTESIFGI-YWJBVVMDSA-N 487.651 2.828 10 10 JFCE CCN1C(=O)/C(=C\c2cn(CC(=O)NCc3cccs3)c3ccccc23)C(=O)NC1=S 1084227432 BKPASUPHRXEKBP-YVLHZVERSA-N 452.561 2.666 10 10 JFCE CCN1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861964098 OHUWIZCGGCOQGC-SANMLTNESA-N 494.636 2.509 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3CCCN(C)C3)c3ccccc3)CC2)cc1 1862006172 WYHPGPTVZSKZDL-XUZZJYLKSA-N 450.583 2.543 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3ccccc3OC)CC2)cc1 1862268625 XLFIBWIWCXPUHU-NRFANRHFSA-N 487.622 2.669 10 10 JFCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018737 BOHSCJHVPFJIPI-ZUOKHONESA-N 498.967 2.750 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2 1865032773 KHUODPKKZKESQR-QFIPXVFZSA-N 489.576 2.746 10 10 JFCE COc1ccc(N2C(=O)N[C@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874179975 UGKSKQLJEOGBKB-HXUWFJFHSA-N 469.453 2.924 10 10 JFCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1c(N)cccc1C(N)=O 2084904295 YYECKEPLLNBZGR-UHFFFAOYSA-N 451.568 2.978 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 2294093871 YUVVAOQNMNRTQF-UHFFFAOYSA-N 475.251 2.588 10 10 JFCE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1 35960447 FBTNPLMLSHPEOE-DEOSSOPVSA-N 465.598 2.582 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21 248380829 RHXQOOFRJNSQRQ-UKXPEHKSSA-N 480.517 2.923 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864009652 JLVQWRZUXMGCNF-JOCHJYFZSA-N 492.532 2.998 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865029026 DHFIBWAHKBRYEF-JOCHJYFZSA-N 490.560 2.914 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029237 JAHKUJYZVRFQAG-QHCPKHFHSA-N 484.512 2.643 10 10 JFCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCO)ncnc21 1875225262 HWXSXFSLOLFXCX-UHFFFAOYSA-N 496.612 2.623 10 10 JFCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2533755 BCHWZDKXLUZSER-QZQOTICOSA-N 481.599 2.610 10 10 JFCE CCCN1C(=O)c2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1 21877841 SQHGEEYSLSWKRQ-SANMLTNESA-N 480.613 2.562 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCSCC3)nc12 33904602 VKHYLJFGKYKHDZ-YSKWHIJTSA-N 488.660 2.936 10 10 JFCE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 40846645 DLZCCWUIZSKSNO-HNENSFHCSA-N 481.555 2.821 10 10 JFCE O=C(O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 1084585241 GUNNJNPQTNQQHY-WQLSENKSSA-N 479.283 2.883 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3[S@](=O)C(F)(F)F)cc2)CC1 1466881910 GBGVRYVUCPMZJM-HKBQPEDESA-N 453.486 2.913 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3F)cc2)cc1 1859003489 LLPJJMWEAWOQCK-UHFFFAOYSA-N 457.483 2.858 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865025632 AXIIYHPBGBPKIN-HSZRJFAPSA-N 489.576 2.662 10 10 JFCE CC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927172 LYBCAMRHJQDVIA-BEFAXECRSA-N 482.558 2.510 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1 210428664 NIRGUSISLYKKPF-YBEGLDIGSA-N 464.546 2.553 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 252677476 YWPFESBYZCDXLL-JOCHJYFZSA-N 492.557 2.773 10 10 JFCE CC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2O)C1 1749813653 AZZZLELMSABHLH-GOSISDBHSA-N 463.542 2.526 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864007406 MCXOFTABUMCZDJ-JOCHJYFZSA-N 469.501 2.998 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864013184 RVCYAAJOZXRZRF-NRFANRHFSA-N 496.539 2.627 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1 1868652638 VFPFKHBDSTWZII-UHFFFAOYSA-N 478.549 2.675 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871530485 LNQBKFSAORLBKX-UHFFFAOYSA-N 476.585 2.575 10 10 JFCE COCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642826 NMSZPOINMFHIHC-XMMPIXPASA-N 464.566 2.589 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](C)O)ncnc4n3Cc3ccco3)CC2)cc1 1875233628 KUQOUZUIHSOOIU-GOSISDBHSA-N 490.564 2.836 10 10 JFCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136252596 DZWLBOGVVSVYFD-YCPHGPKFSA-N 467.563 2.952 10 10 JFCE C[C@H](O)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2296720230 BOWACKKTIDPYLS-HNNXBMFYSA-N 466.588 2.931 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1O 2297342123 VPYLJUXAJOKZAV-UHFFFAOYSA-N 462.212 2.738 10 10 JFCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 2297552029 LZCONOWOGKYWNM-UHFFFAOYSA-N 490.585 2.852 10 10 JFCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 2297577667 NJGOVQSIGUTPDI-UHFFFAOYSA-N 458.517 2.999 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3cccc(OCC(=O)O)c3)SC2=S)cc1 2314931377 NIRGUSISLYKKPF-UHFFFAOYSA-N 464.546 2.553 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)N(C)C(=O)[C@H]3CCCCN43)CC2)cc1 9528823 VIWMWLISFHPXSI-RUZDIDTESA-N 491.636 2.973 10 10 JFCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)C(=O)O 47152292 XWCUGSURUPXVKW-CMHHUMAZSA-N 451.526 2.946 10 10 JFCE O=C(CCn1ncc(=O)c2ccccc21)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980439 NWAYGIRQHMGKEP-UHFFFAOYSA-N 460.456 2.958 10 10 JFCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 109899697 GULVSNSZKWKOJQ-GOSISDBHSA-N 451.639 2.771 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2C[C@@H]1C 1654292646 KGMAARHWUBRHRO-KRWDZBQOSA-N 457.596 2.671 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641252 KLIDWXADFBSFQP-UHFFFAOYSA-N 478.557 2.833 10 10 JFCE CCOC(=O)c1cc(-c2ccccc2)sc1NC=C1C(=O)NC(=S)N(CCOC)C1=O 2042447202 VFSHFTBJEXBQKB-UHFFFAOYSA-N 459.549 2.777 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 33162108 XVYLZGKLDKZWGI-CWJRHKRGSA-N 472.592 2.771 10 10 JFCE Cc1ccc2nc(NCCCO)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 34389168 SYYPUORMOJOYKJ-MHWRWJLKSA-N 456.549 2.792 10 10 JFCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)C[C@@H](C)O1 39716341 IIBGDNXDVUXBRS-XHSNQGIPSA-N 486.619 2.688 10 10 JFCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39989940 RPLPRCDKTWQPHG-RGEXLXHISA-N 490.651 2.903 10 10 JFCE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 729362886 FWSZVGTVMQMQLM-KCGBVJQISA-N 494.708 2.788 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)cc1 1622642920 FEUPPCVXBRYRDU-UHFFFAOYSA-N 454.504 2.709 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 1858590717 GAQRCPWNKQLTKY-LDADJPATSA-N 464.590 2.795 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864015599 SNJZVWLEMRTXPC-OAHLLOKOSA-N 460.412 2.861 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015631 TUHYHGYYCJYQPG-CQSZACIVSA-N 452.433 2.994 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865035618 XRONFBAPWITRHL-NRFANRHFSA-N 478.549 2.592 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871685170 YJBHBZDMGNKACR-HXUWFJFHSA-N 497.550 2.663 10 10 JFCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](Cc3cnc[nH]3)C(=O)O)C2=O)cc1 2323717039 OCWLKUGLVIYGIP-KRWDZBQOSA-N 488.591 2.554 10 10 JFCE COc1ccc(NC(=O)c2nnc(COCC(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)cc1 33256908 TYVZGGHXJDHMLH-UHFFFAOYSA-N 497.577 2.673 10 10 JFCE CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 33262808 FWLHZYDPCBKUOG-LJQANCHMSA-N 484.626 2.795 10 10 JFCE COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2cccc3cccnc23)c(=O)[nH]c1=O 96941241 PLIZYJIYAAUNMC-SEYXRHQNSA-N 471.517 2.560 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1 1615103989 BVKHBWDMJZEODI-IXCJQBJRSA-N 484.637 2.828 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1749882988 KWYFUZWRPCTKME-OFVILXPXSA-N 481.689 2.888 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864010757 WDESELFMTGDQJA-NRFANRHFSA-N 498.580 2.755 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865035078 KUEMZRIEJJZZFP-NRFANRHFSA-N 494.523 2.598 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168982 SQVNPUPKCBEGII-JOCHJYFZSA-N 459.550 2.908 10 10 JFCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2296928526 WFWPNNXHSVIFAC-UHFFFAOYSA-N 468.485 2.903 10 10 JFCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)O 2314931229 MVXCEJGMEPNENO-LLVKDONJSA-N 473.488 2.993 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328603860 ZNWOZNZYJMIASV-UHFFFAOYSA-N 452.511 2.860 10 10 JFCE COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)O 2889256 NSEIJCCIOKDWDJ-VGOFMYFVSA-N 489.278 2.896 10 10 JFCE COc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)c1 210453106 TUJVWNCZNGWAAP-MFOYZWKCSA-N 474.516 2.713 10 10 JFCE COc1cccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O 247933918 UDKLKMMEYPLXBZ-VZUSRKGYSA-N 472.497 2.827 10 10 JFCE CC(=O)N1C(=O)[C@H]([C@H]2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 606618889 BCYPOJMBVVIRLI-AZUAARDMSA-N 492.582 2.895 10 10 JFCE CCCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 2297350746 LZTLGUNZOMXALU-UHFFFAOYSA-N 479.547 2.931 10 10 JFCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(CCCN2CCOCC2)C1=O)C(=O)O 2314931497 GHOGUJQXDJHJGP-MRXNPFEDSA-N 450.582 2.852 10 10 JFCE COc1ccc(OC)c(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 2323840695 LMKZHUSCCTVJAC-UHFFFAOYSA-N 464.590 2.795 10 10 JFCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 2326945337 VUYGMMAAWXVCNS-UHFFFAOYSA-N 473.576 2.566 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38619731 GDEBXIROMBJRQB-QFIPXVFZSA-N 493.520 2.815 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(NCCOCCO)nc12 102824183 IAJUGISDOMSPPN-GHRIWEEISA-N 476.624 2.671 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 742919353 GFGIWZYRBOICMU-QHCPKHFHSA-N 464.610 2.794 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1076221447 QYXPJYWPGHOFPM-RPJCSTDNSA-N 479.508 2.533 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)[C@@H](C)C1 1359383740 HMDQAGVLBNFLHI-KRWDZBQOSA-N 499.566 2.791 10 10 JFCE COc1ccc(N2CCN(c3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cn3)CC2)cc1 1858420814 MQPQSBBREFPROM-UHFFFAOYSA-N 471.517 2.652 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861958656 OKKPXYUTHVQUCF-NWMLYGLHSA-N 464.522 2.956 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C3CCN(C)CC3)c3ccccc3)CC2)cc1 1861967869 BHRHXMQFKMHRBU-DEOSSOPVSA-N 450.583 2.543 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865611689 YPLODAPHWHWVLR-OAQYLSRUSA-N 476.581 2.846 10 10 JFCE O=C(CN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Cl)c1 2053467447 AFCYTWITGLHJPI-UHFFFAOYSA-N 482.949 2.998 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N([C@@H](CC(C)C)C(=O)O)C3=O)C2=O)cc1 2314435806 PGORYVFSXPICJC-CABCVRRESA-N 462.549 2.523 10 10 JFCE O=S(=O)(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)c1cccc2nsnc12 585492211 PCYLXVVOZGRJHY-UHFFFAOYSA-N 469.552 2.862 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030522 LOGOUTUGOPYHNM-NRFANRHFSA-N 496.539 2.580 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865033264 VVTZJJDQPNWCAD-PGRDOPGGSA-N 490.560 2.583 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(CCO)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867964615 VIVNQYLVJCCSIK-UHFFFAOYSA-N 488.636 2.902 10 10 JFCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871649441 GGLGMGMVPYFMDB-UHFFFAOYSA-N 477.613 2.941 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCCC(=O)O 16919778 HJIXTPOGCITZDO-SFQUDFHCSA-N 473.532 2.880 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 256038350 NUDLJBICRISJNM-XZOQPEGZSA-N 476.639 2.970 10 10 JFCE CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 917926269 BHWUJHCDWGJLRH-KRWDZBQOSA-N 457.552 2.543 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)c4ccc(O)nc4)cc3)c2)CC1 1447793804 JKKQKWLOGHDGAI-UHFFFAOYSA-N 459.506 2.960 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)CC2)cc1 1858417791 JJHOILCGEKQNIH-QGZVFWFLSA-N 494.013 2.717 10 10 JFCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)c2)c1 1860905611 HJQDIRHAVLSEBJ-UHFFFAOYSA-N 473.577 2.662 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4ccccc4Cl)c3=O)CC2)cc1 1862031344 JXYDWPKVDGQMNO-UHFFFAOYSA-N 494.979 2.637 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864019137 GUHVVNPWWRFCBO-ZSEKCTLFSA-N 494.548 2.983 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865026882 CDAXFELYYSPONB-HSZRJFAPSA-N 492.576 2.967 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027557 JMADIHMQFYQJFR-FQEVSTJZSA-N 484.940 2.781 10 10 JFCE COc1ccc(N2C(=O)C(=Cc3ccc(I)o3)C(=O)NC2=S)c(OC)c1 2313543774 IZDHEKBBMKFBJD-UHFFFAOYSA-N 484.271 2.733 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(OC)c(OC)c4)n(C)n3)CC2)cc1 2331398826 PIRTXSWLWVFAPJ-UHFFFAOYSA-N 478.553 2.819 10 10 JFCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2902983 ZHONIFGFYSAVJF-SFQUDFHCSA-N 461.590 2.872 10 10 JFCE CCCCN(C(=O)/C=C/c1c(C(=O)OCC)c(C)n(CC)c1C)c1c(N)n(CCC)c(=O)[nH]c1=O 10445603 FUXKOENHVVBYLV-OUKQBFOZSA-N 487.601 2.990 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)CC2)cc1 730674400 IFPVSQVEXZVEQW-UHFFFAOYSA-N 480.613 2.813 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c(C)c1 1084379691 YDFOKYULGNMUED-QGOAFFKASA-N 450.451 2.715 10 10 JFCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031702 MOLUGYQRTIZFMK-HZMBPMFUSA-N 452.433 2.946 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871727247 DFXVKWRENMWPAC-UHFFFAOYSA-N 498.635 2.921 10 10 JFCE C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 2200969816 WZXGGFQKJICSPT-PBHICJAKSA-N 479.574 2.905 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(C)CC3)nc12 2296537435 LZXFJRNGYHBWAP-UHFFFAOYSA-N 457.625 2.612 10 10 JFCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1 10672854 WQPZGNFLNSMEFM-LICLKQGHSA-N 457.489 2.955 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 504095976 BYMISFGRUKMVOU-LGIZFMHMSA-N 469.925 2.514 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2CC1 1475004900 VUMOTWNOLUVOLI-QFIPXVFZSA-N 458.580 2.709 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4cc(OC)cc(OC)c4)C3)CC2)cc1 1858365350 FKARDLJQADPYHU-GOSISDBHSA-N 453.539 2.523 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1 1868983521 INLUWXDMYPFEAD-UHFFFAOYSA-N 474.565 2.571 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21 2297499324 SCAGHMOQKUCNKV-UHFFFAOYSA-N 472.479 2.666 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNNc3ccc(I)cc3)C2=O)c1 2297512633 YYBNXPOQCDIMEE-UHFFFAOYSA-N 462.247 2.683 10 10 JFCE CCCn1c(C)cc(/C=C/C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)c1C 9216651 FGJCCVFLWOOUTG-VAWYXSNFSA-N 479.581 2.840 10 10 JFCE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(CCOC)C3=O)c2C)cc1 254493524 DGNIZBNPEMKAHZ-UYRXBGFRSA-N 455.536 2.544 10 10 JFCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCSc3nccs3)C[C@H]2C)CC1 1508233751 RQSUVESCPNXGLY-APWZRJJASA-N 463.677 2.604 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)[C@@H](C)C1 1722780713 PBPVWWLSVCOUII-IBGZPJMESA-N 477.613 2.888 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)CC2)cc1 1861974897 NQLMMHKEKLDFHO-HXUWFJFHSA-N 482.600 2.900 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1862287152 HWYAJAUOCGMAKP-NRFANRHFSA-N 470.551 2.776 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864007810 VMUIVIZGAPRELZ-JOCHJYFZSA-N 469.501 2.998 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864017376 KUGPIZJTHTZYGU-NRFANRHFSA-N 478.549 2.819 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccn3)CC2)n1 1867953342 ZIRDRWGLXCKYGZ-UHFFFAOYSA-N 489.624 2.722 10 10 JFCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 2314627653 OLKCAVPCJBLOGW-UHFFFAOYSA-N 458.634 2.731 10 10 JFCE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314831780 RUAGHZYGIGRXII-UHFFFAOYSA-N 452.554 2.840 10 10 JFCE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467376 YXMUSOUVMJFAFO-CRRKTRLDSA-N 459.641 2.800 10 10 JFCE COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(Cc2ccc(N(C)C)cc2)CC3)c1 39412768 HCVRTECBDMKNDF-UHFFFAOYSA-N 490.604 2.920 10 10 JFCE CC(=O)O[C@H]1CO[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 229862494 VSDDSBSJVSEXOW-RFRHCEIRSA-N 496.468 2.990 10 10 JFCE COc1cc(N2CCC(NC(=O)c3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)cc(OC)c1OC 1858044455 VKQHVUZDAKXZEG-UHFFFAOYSA-N 491.610 2.670 10 10 JFCE Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1C 1865027515 IYBMUGILPLPVQX-QHCPKHFHSA-N 489.576 2.800 10 10 JFCE CCOC(=O)c1c(NC(=O)[C@@H](N)CC(N)=O)sc(C)c1-c1ccc(Br)cc1 1866106088 ASUQFQUVUHQRTH-LBPRGKRZSA-N 454.346 2.804 10 10 JFCE CC[C@H](NC(=O)C=Cc1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331339444 HTXAIIUNQNKKIB-QHCPKHFHSA-N 465.550 2.739 10 10 JFCE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCc1ccc(N(C)C)cc1 21887961 ZKAUEQGNUKIVSE-HSZRJFAPSA-N 472.611 2.647 10 10 JFCE COc1ccc(N2CCN(c3nccc(-c4nnc5nc(-c6ccncc6)nn5c4C)n3)CC2)cc1 72452627 DNLHSSOTGPSLFM-UHFFFAOYSA-N 480.536 2.682 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254558608 NNRPWAJCAQHJGM-OAQYLSRUSA-N 451.548 2.766 10 10 JFCE COc1ccc(-c2c(C)oc3c(CN4C[C@H](O)C[C@@H]4C(=O)O)c(O)ccc3c2=O)cc1OC 1615247557 DZRVZMASGOPJQI-RHSMWYFYSA-N 455.463 2.511 10 10 JFCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 1858108580 ITSXIXLEFJJSLC-UHFFFAOYSA-N 485.606 2.507 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034129 PWGRYKZRWXNAHE-MRXNPFEDSA-N 496.486 2.649 10 10 JFCE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261375 KYADKNYUIXRBBI-ZBFHGGJFSA-N 467.563 2.905 10 10 JFCE COc1cc(C=C2SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2293665883 ZRXWYPZAAIIAQQ-UHFFFAOYSA-N 452.491 2.860 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)c2)CC1 1523223901 MFAJVJTWYPSVII-UHFFFAOYSA-N 452.536 2.803 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865031534 IVLUSIPEJDVMLX-RXVVDRJESA-N 490.560 2.956 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865034674 BNOKUJKFORWAKG-JOCHJYFZSA-N 492.576 2.982 10 10 JFCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O 110055786 UNODPNAPYHTPEH-OVCLIPMQSA-N 459.457 2.952 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4C)C3)CC2)cc1 1858401679 KEXBUBVVVBXUSJ-GOSISDBHSA-N 461.559 2.502 10 10 JFCE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1 1871033277 YIZHNENKOUBTHO-UHFFFAOYSA-N 492.576 2.824 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCNC(C)=O)ncnc4n3CC(C)C)CC2)cc1 1875211678 POMRFZWQFYPHBV-UHFFFAOYSA-N 493.612 2.606 10 10 JFCE CCOCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2040498386 IVITYDXXTLDURX-OAHLLOKOSA-N 474.608 2.913 10 10 JFCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2313548395 UZVDOICMHZHJIC-UHFFFAOYSA-N 456.842 2.751 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc1OC 2314828993 YBJSMBJCAUPMEE-UHFFFAOYSA-N 452.554 2.666 10 10 JFCE CCCOC(=O)[C@@H](CC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944795 BQKMCFGRYMGWLF-CYBMUJFWSA-N 462.549 2.811 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328578400 BGSCUPZGZZUWGL-QFIPXVFZSA-N 482.562 2.867 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 16909908 KKRJAXLKICWKMK-MHWRWJLKSA-N 464.546 2.553 10 10 JFCE O=C(c1coc(CN2CCN(Cc3ccccc3O)CC2)n1)N1CCN(c2ccccc2)CC1 34678399 PDZIPGWGBUHRSO-UHFFFAOYSA-N 461.566 2.660 10 10 JFCE COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 210486918 FLNZLSGPJBTBOA-CXUHLZMHSA-N 472.500 2.932 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)CC2)cc1 726246412 DGTIFXZEFUESNH-NRFANRHFSA-N 484.576 2.562 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)sc(C)c1-c1ccc(OCC)cc1 1860762828 SNGRXXRXJMTUAB-UHFFFAOYSA-N 487.578 2.961 10 10 JFCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864020444 ZDBBDMWJOQFGHJ-CWTRNNRKSA-N 484.940 2.691 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030467 KIZWDVPQURDIFR-QFIPXVFZSA-N 492.576 2.749 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@@H]3CCCO3)nc12 2053496951 QJRRZEPCNWGRGT-JKSUJKDBSA-N 486.619 2.974 10 10 JFCE O=C(O)CCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2053497496 MFJJRJNEMHEZFX-UHFFFAOYSA-N 456.505 2.576 10 10 JFCE Cc1ccc2[nH]c(C)c(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2c1 2297468678 ZGFQDRYLAABYHQ-UHFFFAOYSA-N 450.524 2.653 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(OC)cc3OC)CC2)cc1 2330485488 PXACPFRSTQLTNS-GOSISDBHSA-N 453.539 2.579 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NCCCN3CCOCC3)nc12 2339941 DXXMZOPYSLWQPG-NBVRZTHBSA-N 487.651 2.747 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 248046633 MPCZZXJLACWCGW-SMIHKQSGSA-N 470.614 2.890 10 10 JFCE CCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(N(C)C)cc3)N2N1 588226226 LKQREJWEGPKPCQ-IBGZPJMESA-N 472.412 2.801 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3nc(-c4ccncc4)no3)C(C)C)CC2)cc1 728131811 DMRLIZCQKLBHNW-JOCHJYFZSA-N 479.585 2.959 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)N3CCc4sccc4C3)CC2)cc1 743362369 AUFFZCTUSBDPHD-IBGZPJMESA-N 457.644 2.625 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4c(C)ccc(C)c4C)C3)CC2)cc1 1615104429 DFENDVHWMOZZTO-NAKRPHOHSA-N 484.637 2.828 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4ccccc4Cl)C3)CC2)cc1 1858407854 BREJWRQAPMTQNQ-SFHVURJKSA-N 478.014 2.849 10 10 JFCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864008814 SNJOFQBHOMHTCC-GTJPDFRWSA-N 480.521 2.729 10 10 JFCE CN(C)c1ccc([C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)c2nccn2C)cc1 1866269821 DLCMKUBDEPDZDP-OAQYLSRUSA-N 478.940 2.910 10 10 JFCE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(-n2cccc2)c1 1866616253 VMZSVVQTVXLZBY-QHCPKHFHSA-N 479.492 2.982 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868757934 UWXGMQRIDZKHKP-QHCPKHFHSA-N 465.529 2.556 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671196 SOHCUGVJJVRAPU-UHFFFAOYSA-N 490.656 2.775 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N([C@@H](C(=O)O)c3ccccc3)c3ccccc32)SC1=S 2326945109 KCNFXTHYNOPLBF-QGZVFWFLSA-N 468.512 2.905 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc(Br)c1O 12763390 XOBUOXJENCISKF-UVTDQMKNSA-N 459.387 2.697 10 10 JFCE COc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858033409 PSMNGBKTFNTGQJ-UHFFFAOYSA-N 459.568 2.959 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864008298 HTDXGEJVDRZQLS-JOCHJYFZSA-N 478.549 2.624 10 10 JFCE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866114685 XRKAKGJSVSOHST-ZEQRLZLVSA-N 458.566 2.920 10 10 JFCE COc1ccc(N2CCN(c3nc(Nc4ccc5c(c4)C(=O)N(C)C5=O)ncc3[N+](=O)[O-])CC2)cc1 1871307679 RZFWOBROVHSTCO-UHFFFAOYSA-N 489.492 2.689 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(NCCOCCO)nc12 2040498343 IAJUGISDOMSPPN-UHFFFAOYSA-N 476.624 2.671 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@H]3CCCO3)nc12 2053496948 QJRRZEPCNWGRGT-CVEARBPZSA-N 486.619 2.974 10 10 JFCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(N3CCCCC3)nc12 33450866 IBFGLIAUYFWKTE-QINSGFPZSA-N 458.565 2.669 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 96484426 BIELJLUGLWULCI-CRZHVYFRSA-N 465.520 2.541 10 10 JFCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)nc12 727559761 RKXJXHDWGBFTBS-UHFFFAOYSA-N 495.536 2.619 10 10 JFCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)N2CCCCC2)cc1 1858074572 MAQCBHKMCTVHFH-QHCPKHFHSA-N 456.612 2.777 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864007326 KMYIHVVKHBJKJG-JOCHJYFZSA-N 486.532 2.690 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864007898 XHWNDDTVEOIHHR-JOCHJYFZSA-N 469.501 2.998 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1864023132 URNZIKDQPUPHBN-MRXNPFEDSA-N 497.518 2.876 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCN3CCOCC3)CC2)cc1 1870610712 ABMKCTXIYYBBPR-UHFFFAOYSA-N 496.652 2.856 10 10 JFCE COCCNC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870967564 RPUKQEJYJSYNJE-IBGZPJMESA-N 480.565 2.726 10 10 JFCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873167865 AVIAJGSKNNOUPK-SFHVURJKSA-N 450.583 2.894 10 10 JFCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017528 RDGHHTFKAHMUGK-MRXNPFEDSA-N 477.542 2.816 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCSCC3)nc12 2040499230 VKHYLJFGKYKHDZ-HNNXBMFYSA-N 488.660 2.936 10 10 JFCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352694 MQGGJYSKXAWGIL-UHFFFAOYSA-N 461.503 2.815 10 10 JFCE CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(N(C)C)cc3)ccc21 33263114 SLFDQTINHWEBSX-HSZRJFAPSA-N 484.626 2.767 10 10 JFCE Cc1occc1C(=O)NC1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 727436582 FIAJWDBVACHWIR-QZTJIDSGSA-N 486.588 2.851 10 10 JFCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1084288060 NSVXOMAKMORQDJ-MHWRWJLKSA-N 456.842 2.751 10 10 JFCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)=O)CC1 1705895277 ABJXLTBKVFUDHK-UHFFFAOYSA-N 475.597 2.713 10 10 JFCE Cc1noc(CCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860345220 UZRGUZJFBCJUMA-UHFFFAOYSA-N 454.490 2.625 10 10 JFCE CCOC(=O)C1=C(C)C(C(=O)Nc2ccccc2)=S=C1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1860746844 HFOBOLJKHQCQSO-UHFFFAOYSA-N 493.541 2.511 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862155295 ZBOATMMKZPBDME-ZCHVWDMZSA-N 495.576 2.886 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012151 SJXGFVOFYOWEGO-OAQYLSRUSA-N 482.512 2.637 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523804 FLRHFCJXEWOHEH-UHFFFAOYSA-N 469.977 2.820 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871599950 JTIBDLOECGIFSH-UHFFFAOYSA-N 457.538 2.999 10 10 JFCE CCN1C(=CC=c2sc(=C3SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(OC)cc21 2297453510 WNWKSAGEFJABLJ-UHFFFAOYSA-N 491.685 2.791 10 10 JFCE COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc(I)c1O 1192509 IRUPQIDLERZMKO-NTUHNPAUSA-N 450.232 2.775 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(OC(C)=O)cc3)CC2)cc1 1862066368 LOLHEYBYWPRTKE-HSZRJFAPSA-N 451.523 2.574 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccn2)=C(N)O3)cc1 1864022826 RKTOBVNMKMVISG-OAQYLSRUSA-N 499.527 2.913 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865032723 JDMZJDNRWNPNGW-ZHRRBRCNSA-N 490.560 2.771 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C(F)(F)F)cc4)n(C)[nH]3)CC2)cc1 1869969817 TYBJLAVBFBFXSK-UHFFFAOYSA-N 460.460 2.843 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NCCOCCO)nc12 2040499251 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COc1ccc(N2CCN(c3nc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)n(C)n3)CC2)cc1 1869969641 SDLSJXMZEWILQZ-UHFFFAOYSA-N 476.537 2.549 10 10 JFCE CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870396162 RVHSSUDIEWICEH-UHFFFAOYSA-N 490.604 2.894 10 10 JFCE CCN(CC)CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871600082 PZAGJXUDLYLZNV-UHFFFAOYSA-N 476.629 2.548 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 1872678063 RLORQPSWVMDWTH-UHFFFAOYSA-N 465.510 2.675 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2136243352 FFQNSGBDXMPDOJ-CVEARBPZSA-N 465.547 2.659 10 10 JFCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297365361 MYWAZGRKAALHOE-UHFFFAOYSA-N 487.475 2.620 10 10 JFCE C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15040820 RZMZSROUFVSCLK-LMRAXHDRSA-N 473.370 2.725 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 96484345 HKFGQJJRLASSNT-UNOMPAQXSA-N 473.514 2.754 10 10 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CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21 2297345271 HLPZGZBFHWRAHP-UHFFFAOYSA-N 485.503 2.795 10 10 JFCE COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2297511141 ALOVPITWHAQIQK-UHFFFAOYSA-N 498.561 2.757 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(C(=O)O)c3)C2=O)c(OC)c1 2297620133 PYDKXYSSXWIWNT-UHFFFAOYSA-N 461.430 2.859 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cccc4ccccc34)CC2)cc1 16953931 KGZSCVNOLHPNNN-UHFFFAOYSA-N 467.591 2.659 10 10 JFCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484349 XRNGZHAKJNEEKR-ZDLGFXPLSA-N 489.513 2.508 10 10 JFCE CC(=O)N[C@@](C)(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccc(S(C)(=O)=O)cc1 1557062984 AEBWPCVIMLZHEG-BXKMTCNYSA-N 459.612 2.563 10 10 JFCE COc1cccc(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860827476 ZXTDYSGGVCWZEP-VXPUYCOJSA-N 482.539 2.971 10 10 JFCE COc1ccc(CCOc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872626115 LASQKRCOJVFRDP-UHFFFAOYSA-N 452.511 2.600 10 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10 10 JFCE COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)C(C)(C)C)C2=O)cc1 110226135 KFSRPPAVDVWZGB-DTQAZKPQSA-N 450.582 2.684 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(OCCN(C)C)cc3)cc2)CC1 1447715022 SUKCNUVPDJIETC-UHFFFAOYSA-N 452.599 2.545 10 10 JFCE COCc1n[nH]c(=NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)s1 1860767004 SHTQSNGFPMPNIF-UHFFFAOYSA-N 460.537 2.816 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC)[C@H]2c1ccc(O)c(O)c1 1864016630 UJJIEOMQGPRKTA-IBGZPJMESA-N 464.522 2.829 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019150 HBKUYFHWLYJLKH-CWTRNNRKSA-N 484.940 2.691 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028529 WKYSQCIFGSVEFD-NRFANRHFSA-N 495.967 2.714 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1 1865038069 TWWOJZHZRBULLO-OAQYLSRUSA-N 483.613 2.762 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3coc(C)n3)CC2)cc1 1869017817 QLVDVVNHKQGNHU-DEOSSOPVSA-N 462.550 2.610 10 10 JFCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O)C(C)=O 2314928343 UIFVWDCYKFEAGL-UONOGXRCSA-N 451.522 2.952 10 10 JFCE CCc1nn(CCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc3occc3n12 8611199 ATAXDLQHFSKCDK-UHFFFAOYSA-N 463.538 2.942 10 10 JFCE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 757220602 ZFFGBUHOYBFMNQ-OAQYLSRUSA-N 476.485 2.748 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccnc2)=C(N)O3)cc1 1864022266 LCZXGRYATUAUII-OAQYLSRUSA-N 499.527 2.913 10 10 JFCE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccccc2)on1 1866824197 RCOJFNZWSAWCGR-OAQYLSRUSA-N 481.464 2.846 10 10 JFCE CCCc1nc(N2CCN(C(=O)C3CC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869219460 XRHDDVCBGNGJEU-UHFFFAOYSA-N 464.614 2.823 10 10 JFCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2040515970 POXOKBMQNUKVQF-AWEZNQCLSA-N 474.633 2.628 10 10 JFCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350699 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COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3ccccc3F)CC2)cc1 38483388 HZCWEIGCZBRZFP-UHFFFAOYSA-N 475.528 2.731 10 10 JFCE COCCN(C(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 96859877 QZOATILOPUZWDP-QXMHVHEDSA-N 479.581 2.875 10 10 JFCE CC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101764339 WRSBAIIGKMLITD-IBGZPJMESA-N 467.913 2.648 10 10 JFCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 727371829 STCFGISHSIBFAU-UHFFFAOYSA-N 498.649 2.502 10 10 JFCE CCS(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 748095477 GAUFJLBGDASMDM-FQEVSTJZSA-N 455.540 2.701 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3ncc4ccccn34)CC2)cc1 1868799572 AIMUJGBDTQLPSQ-HSZRJFAPSA-N 495.649 2.862 10 10 JFCE CCc1ccccc1NC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872635189 JTYSHVOFBGCAAO-UHFFFAOYSA-N 479.537 2.549 10 10 JFCE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N)cc1 2044682166 UKGMIYCCMNACRI-UHFFFAOYSA-N 451.568 2.559 10 10 JFCE C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 2200969817 WZXGGFQKJICSPT-YOEHRIQHSA-N 479.574 2.905 10 10 JFCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 2296740615 FNSMHQKIZBSHDH-UHFFFAOYSA-N 478.549 2.802 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c(C(=O)O)c1OC 16906235 VJLSAHPNKAYHSD-NTEUORMPSA-N 489.487 2.856 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccco3)cc2)cc1 1859006206 IRTBWDNBQGKWSG-FMIVXFBMSA-N 455.492 2.711 10 10 JFCE COc1cc(-c2noc(CCCC(=O)NCCc3ccc(O)c(O)c3)n2)cc(OC)c1OC 1860305425 OFPIBFAIEYCSCI-UHFFFAOYSA-N 457.483 2.855 10 10 JFCE CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870361001 KQMKQCOKJBGXJZ-UHFFFAOYSA-N 468.598 2.590 10 10 JFCE CCc1ccc(Nc2nc(=NCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585751 OVQCTLXRJBPGHY-UHFFFAOYSA-N 463.586 2.729 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4onc(C(=O)N5CCCCC5)c4c3)CC2)cc1 65115335 PXVSRDCQSIJVAC-UHFFFAOYSA-N 484.578 2.973 10 10 JFCE COC(=O)c1cc(OCCOCCOCCN=[N+]=[N-])cc(OCCOCCOCCN=[N+]=[N-])c1 725240087 XZHQTKPSQTWDDL-UHFFFAOYSA-N 482.494 2.918 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864020150 WLYJGKYFIZWAIT-QFIPXVFZSA-N 487.560 2.939 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccn1C 1865348093 XIBPVVUMAURPLK-QHCPKHFHSA-N 490.608 2.992 10 10 JFCE C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866604736 WDEFDOKBZQBVKJ-OAHLLOKOSA-N 470.481 2.919 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867933173 JJADZSVBHBLQEI-VXKWHMMOSA-N 491.007 2.979 10 10 JFCE COCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(OC)cc1 1869970019 LVCQTJNNAIOAGM-UHFFFAOYSA-N 466.542 2.586 10 10 JFCE COc1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 2297467460 OELLQUYQIFQZLW-UHFFFAOYSA-N 455.536 2.998 10 10 JFCE COc1ccc(-c2n[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)s2)cc1 2297511677 XYNQUMQKFWRBNK-UHFFFAOYSA-N 455.883 2.868 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Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1 101350818 SYWASFRARTZSQZ-SFQUDFHCSA-N 483.531 2.831 10 10 JFCE Cc1ccc(S(=O)(=O)Cc2noc([C@H]3C[C@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1 209396964 HSWZVYUJURIBBT-PZJWPPBQSA-N 456.568 2.726 10 10 JFCE CCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869045869 GKDWVQXMAPQADD-QHCPKHFHSA-N 491.592 2.910 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCNC(C)=O)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527947 JQFKEXVVDJJFGF-UHFFFAOYSA-N 490.612 2.537 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2040498040 AMLPOJDCOPNQJW-UHFFFAOYSA-N 499.662 2.952 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 2297346164 ILZGRGJHYJCHNY-UHFFFAOYSA-N 470.374 2.526 10 10 JFCE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 247954668 LNTHGQYRXOUNCN-ASKKUZCQSA-N 451.317 2.576 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4ccc(F)cc4)c(C)[nH]3)CC2)cc1 1858546325 VRCFAZUFVGIBAG-UHFFFAOYSA-N 479.556 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5cccnc5)n4)CC3)CC2)cc1 1858551379 DPOQGCLABZOXBP-UHFFFAOYSA-N 474.565 2.818 10 10 JFCE CCOC(=O)COc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870694794 RGJOELJCCSZPBD-UHFFFAOYSA-N 481.549 2.762 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871615025 JUHHTQDXEZRRTB-UHFFFAOYSA-N 462.602 2.682 10 10 JFCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873545396 YTDLZGUITJYTLU-UHFFFAOYSA-N 491.640 2.953 10 10 JFCE CN(C)c1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1 9610658 PFKCILXIIHBHGJ-RUZDIDTESA-N 492.601 2.973 10 10 JFCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990298 URDJMVSPSCLBJX-AQTBWJFISA-N 476.624 2.513 10 10 JFCE COC(=O)c1ccc(N2N=C(C)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 103512968 YYJDLTYMXPZLEI-KGENOOAVSA-N 464.503 2.717 10 10 JFCE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 1565532821 BYMISFGRUKMVOU-YJGYRPNBSA-N 469.925 2.514 10 10 JFCE CC[C@](C)(NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862268081 ICROLKXOJYAFCQ-VWLOTQADSA-N 455.555 2.716 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032742 JSNAIBKUQSQEFK-JOCHJYFZSA-N 492.576 2.749 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)COc4c(C)cccc4C)n(C)n3)CC2)cc1 1869969418 MWZRBQKQGOADKJ-UHFFFAOYSA-N 450.543 2.785 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871642766 UPTDHCPBLAJYTA-IBGZPJMESA-N 491.640 2.884 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 1872675933 JURJRGQXUNPLFY-UHFFFAOYSA-N 471.901 2.712 10 10 JFCE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2040501043 VBVWCKQACUNTCK-OAHLLOKOSA-N 474.608 2.832 10 10 JFCE COCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296540704 HZCDORRTIXESGP-GOSISDBHSA-N 496.614 2.996 10 10 JFCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\N1CCN(C(=O)c2ccco2)CC1 208732730 IEGKNCOQSQPUDA-PTNGSMBKSA-N 479.345 2.676 10 10 JFCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N)=NC2=O)c1 213225280 IEPDVALYOAWYDO-LDADJPATSA-N 453.549 2.719 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC 254790202 ALOLBYQZCLXGCL-QHCPKHFHSA-N 477.586 2.873 10 10 JFCE CCN1CCC(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861963799 HYBZSGZMFCIJRC-AREMUKBSSA-N 496.627 2.942 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861995527 BBNCNJJEXPAOHK-JTHBVZDNSA-N 464.610 2.761 10 10 JFCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010546 NIJIPQCKESYWJG-IBGZPJMESA-N 484.940 2.693 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017417 LQFRAIJVUVQAIH-LJQANCHMSA-N 484.940 2.957 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3F)CC2)cc1 1865063339 FSAGMGKKEYTJJO-QFIPXVFZSA-N 477.540 2.920 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCc3ccccc3)CC2)cc1 1870364709 OZOYDGNHGWWIRM-UHFFFAOYSA-N 463.578 2.793 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)CC2)cc1 1872721564 UFABFJYAEVCJGC-UHFFFAOYSA-N 462.568 2.927 10 10 JFCE CN(C)c1nc(Cl)nc2c1ncn2CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179414 CNPDHLATFPQNOL-UHFFFAOYSA-N 460.881 2.960 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCN1Cc1ccccc1 2136258870 NGZJFRVRXVHMPT-UXHICEINSA-N 455.555 2.924 10 10 JFCE CN(C)c1ccc(CNC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 65030785 WJZHPDQPBMCKNR-UHFFFAOYSA-N 466.611 2.893 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc2)CC1 857494314 MTKGIEFQEFTKBW-UHFFFAOYSA-N 454.481 2.803 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871513659 FDMLYALFBUSWLW-KRWDZBQOSA-N 484.004 2.549 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602212 GQAWQTBXXLDCGL-UHFFFAOYSA-N 499.623 2.789 10 10 JFCE C[C@@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C[C@H]1NC(=O)OC(C)(C)C 2200964881 RQLKYFNPUODIGM-HYVNUMGLSA-N 479.574 2.905 10 10 JFCE COc1cccc(C=C2SC(=S)N(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)c1 2297633266 XGKAKVSVYODRTF-SJORKVTESA-N 481.599 2.704 10 10 JFCE Cc1ccc(N2NC(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 678050 LVFBSIKHMCTEMZ-WOJGMQOQSA-N 456.911 2.548 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40316683 SBQPELXEWMWICV-RTWAWAEBSA-N 497.455 2.944 10 10 JFCE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cn(CC)nc4C)c(=O)n32)cc1 254394348 PDNGSODLRYLQKX-HSZRJFAPSA-N 493.633 2.779 10 10 JFCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705895873 VWVNBBIEQMVPHT-IBGZPJMESA-N 491.596 2.932 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(F)(F)F)CC2)cc1 1861966175 WTBZLAQGOLGPDW-NRFANRHFSA-N 493.482 2.559 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccc(Cl)cc3)CC2)cc1 1862244180 CHWDPFFWQDVESH-NRFANRHFSA-N 475.998 2.978 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864009106 ZISZFQXCKFAXMB-KZKXZOASSA-N 450.539 2.919 10 10 JFCE CCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869039497 JIFAETIIMYFFKM-FQEVSTJZSA-N 465.554 2.936 10 10 JFCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)/C=C\c2ccccc2)CC1 101418451 IOCBDBQBMZRLSN-WNJKSNJESA-N 488.548 2.648 10 10 JFCE CN(C)c1ccc([C@H](CNCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N(C)C)cc1 257650182 SBNLDKKVIAJDOX-QHCPKHFHSA-N 458.628 2.612 10 10 JFCE CC(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)CC1 1705978929 XEEOLVSTEZHERN-QGZVFWFLSA-N 450.634 2.870 10 10 JFCE O=C1c2ccccc2C(=O)c2cc(NC(=S)NS(=O)(=O)c3ccc4nc(O)oc4c3)ccc21 1858608450 RGRSMAGUQZTFJA-UHFFFAOYSA-N 479.495 2.984 10 10 JFCE CN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc21 2297311510 NJGRBXSKADIOGC-UHFFFAOYSA-N 487.297 2.901 10 10 JFCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314413752 GSTXQAFDFZMBIM-AWEZNQCLSA-N 492.648 2.685 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 15038194 VZSLWXRTCMIKNG-UVTDQMKNSA-N 453.592 2.626 10 10 JFCE C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(CS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 749193321 IFYOXQFGVSAVBP-IAGOWNOFSA-N 463.575 2.983 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864008067 AYQOEMRSKHDFFD-HXUWFJFHSA-N 483.956 2.618 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864012389 ZAXAJCCOBCJEQO-QFIPXVFZSA-N 495.555 2.553 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCOC(C)C)=C(N)O3)cc1 1864021309 AHFWGEAWWNDYNI-HXUWFJFHSA-N 494.548 2.743 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022987 TTZUGJUORADQAI-OAHLLOKOSA-N 484.475 2.959 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865033410 YZKMYCADPFHLIJ-DYESRHJHSA-N 476.533 2.524 10 10 JFCE CCc1ccc(Nc2nc(=NC[C@@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585685 MLSKJGXTXUBVFV-GOSISDBHSA-N 463.586 2.727 10 10 JFCE Cn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc2n(C)c1=O 1892205796 MGOZAOSJNNJLSS-UHFFFAOYSA-N 462.940 2.815 10 10 JFCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2040515961 YMJSJYZRSPBJMO-CABCVRRESA-N 472.592 2.666 10 10 JFCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 2296721763 QQKZQVAXUFZTPK-ZIAGYGMSSA-N 472.592 2.771 10 10 JFCE COc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314837467 SNUASWBCAYKNSC-GFCCVEGCSA-N 477.589 2.571 10 10 JFCE COc1cccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1OC 2323686555 NVRMRZOYHQCEFE-UHFFFAOYSA-N 450.563 2.753 10 10 JFCE O=C(Cn1c(=O)oc2ccc(C(=O)Nc3ccccc3)cc21)NCc1ccc(N2CCOCC2)cc1 33307461 MCUGISQLJVTZIX-UHFFFAOYSA-N 486.528 3.000 10 10 JFCE CCN1C(=O)/C(=C\c2c(C)n(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(O)=NC1=S 33686588 AMKFXZQNTYUFQD-JQFNYASXSA-N 454.552 2.732 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21 96460094 ZSFDAQPWXNMZEM-HINGXDCCSA-N 484.515 2.616 10 10 JFCE CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008171 DTSJNCVKXWZOBA-OAQYLSRUSA-N 492.532 2.718 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864021696 FRBJJOPLGSXZLP-AWEZNQCLSA-N 470.448 2.569 10 10 JFCE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCN(Cc2ccccc2)C1 2124169725 SFSRDTIJDPQOAI-RUZDIDTESA-N 455.555 2.926 10 10 JFCE Cc1ccc(CN2C(=O)C(=Cc3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1 2296730219 JEWZURCSKWTTDZ-UHFFFAOYSA-N 452.561 2.809 10 10 JFCE Cc1nc2c(C(=O)NCCCN3CCOCC3)cnn2c(O)c1Cc1ccc(F)cc1Cl 20136959 ZFICWFJRMVIGPV-UHFFFAOYSA-N 461.925 2.579 10 10 JFCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724308 GSTXQAFDFZMBIM-IZCBMXNHSA-N 492.648 2.685 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 742939326 DPJALRYCIFSUPT-IBGZPJMESA-N 474.627 2.623 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCO3)CC2)cc1 1874642793 NEMJVKSTAIJGKX-LOSJGSFVSA-N 476.577 2.732 10 10 JFCE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(N4CCOCC4)=NC3=O)c3ccccc32)c1 2040575381 SHEROERXDJVBDB-UHFFFAOYSA-N 476.558 2.961 10 10 JFCE COc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314933168 UQARIRIDRXOEPY-GFCCVEGCSA-N 494.572 2.642 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(OC)c(OC)c4)CC3)CC2)cc1 9068385 HMTMGLGWMLVLSW-UHFFFAOYSA-N 496.608 2.712 10 10 JFCE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 247954672 LNTHGQYRXOUNCN-NLDJYOPPSA-N 451.317 2.576 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 248197873 RRFVRMVEZRPMPJ-XKYJRPCDSA-N 452.507 2.716 10 10 JFCE C[C@H](O)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H](N=[N+]=[N-])[C@@H]1/C=C/c1ccccc1 1772502476 QVFUCLVZCICLAK-YQSQBTCQSA-N 451.439 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4cc(C)ccc4C)c3=O)CC2)cc1 1861902887 QXFGZJJOGGLBOJ-UHFFFAOYSA-N 488.588 2.601 10 10 JFCE COc1ccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296025097 LKVHREGGTWHGSE-UHFFFAOYSA-N 461.474 2.752 10 10 JFCE COc1c(O)cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)cc1O 14642666 BXDRTHBTGNNTEW-SFTDATJTSA-N 456.403 2.831 10 10 JFCE biogenic COc1ccc(N2CCN(CCNS(=O)(=O)c3ccccc3Br)CC2)cc1 56966064 WJDAFFUZOORXKC-UHFFFAOYSA-N 454.390 2.558 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3cccc(C(=O)O)c3)c3ccccc32)SC1=S 1860827294 WISMCUHXZHHWBB-ZCXUNETKSA-N 468.512 2.978 10 10 JFCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CC1)[C@H]2c1ccc(O)c(O)c1 1864017126 GARCACAQACGJAZ-IBGZPJMESA-N 462.506 2.963 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)nn3)c3ccccc3)CC2)cc1 1869057955 AAQXYPBNSOAKNX-QFIPXVFZSA-N 465.941 2.959 10 10 JFCE CN1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1874180074 YSXZNTQDWLAHGG-UXHICEINSA-N 457.530 2.757 10 10 JFCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl 2297469756 SMMJWRWYFVZRCM-UHFFFAOYSA-N 461.912 2.741 10 10 JFCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1OC 2314490624 ZQSSEEWVAWHPCK-UHFFFAOYSA-N 479.624 2.829 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C(C)C)cc2C[C@H]1C 9118223 OIHMXOIIDNFQEI-MZNJEOGPSA-N 486.638 2.669 10 10 JFCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20239072 VYJZAOJPNACUGI-HOMCDIFHSA-N 489.491 2.875 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386061 PWTDTXPLLUPQQK-QGOAFFKASA-N 459.641 2.709 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1 254814117 YWXDSKQZJXAVFZ-DEOSSOPVSA-N 489.597 2.635 10 10 JFCE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705584445 KQZHHXDLUDYERG-UHFFFAOYSA-N 454.578 2.594 10 10 JFCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865034644 BAVHHQTYEICRQV-FQEVSTJZSA-N 498.967 2.704 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1 13574689 TWNBCGPHQFRFOW-HINGXDCCSA-N 479.547 2.931 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 20033329 OYORTVZHPATGLU-UHFFFAOYSA-N 457.493 2.770 10 10 JFCE COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)cc1OC 33321651 VFSCCWMHTNHJLR-YBEGLDIGSA-N 456.476 2.927 10 10 JFCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33436317 RXMAZRNWTGDQCJ-GZTJUZNOSA-N 468.560 2.834 10 10 JFCE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206878266 RRPOSNWGWVHNJQ-CYVLTUHYSA-N 492.619 2.859 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153824 UYMKVYJRENXDTP-NCZOVAKNSA-N 465.550 2.723 10 10 JFCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)N[C@@H](C)C(=O)O)C2=O)ccc1O 2314837407 RZGRFEMLAUITFF-LBPRGKRZSA-N 452.554 2.752 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N([C@H](C(=O)O)c3ccccc3)c3ccccc32)SC1=S 2326945108 KCNFXTHYNOPLBF-KRWDZBQOSA-N 468.512 2.905 10 10 JFCE Cc1cc(CCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccccc1 11085617 BLRWKMGNZHXWAK-UHFFFAOYSA-N 450.564 2.882 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccccc3Cl)CC2)cc1 44441253 UPDBIHKGSSIZOL-UHFFFAOYSA-N 452.964 2.622 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3c(C)oc4ncn(CC(C)C)c(=O)c34)CC2)cc1 65329662 XFJVXBVUMCPFLD-UHFFFAOYSA-N 467.570 2.515 10 10 JFCE COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526315467 YPGFPELPADFPTR-QFIPXVFZSA-N 498.513 2.820 10 10 JFCE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2O)C1 1596075341 GVEOZRSLWDOFJR-SFHVURJKSA-N 482.610 2.870 10 10 JFCE COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]2CC1=O 1616062315 KAAKULQDBRCLRY-DPLHUUCSSA-N 478.630 2.599 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4ccccc4C)C3)CC2)cc1 1858406826 AYOXVBHPLYZKDP-HXUWFJFHSA-N 457.596 2.504 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868991199 PTJYPROLLFYRIY-GOSISDBHSA-N 465.529 2.796 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1869113991 RZFIERFQJQZEQC-DEOSSOPVSA-N 490.608 2.974 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCO)n4Cc3ccco3)CC2)cc1 1873598734 HJFJJBBTFUKFKY-UHFFFAOYSA-N 490.564 2.520 10 10 JFCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 2296928379 JNAFLWKAFGHILQ-UHFFFAOYSA-N 494.548 2.768 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)cc1 6577053 GYNFKFFKXBADSN-OAQYLSRUSA-N 494.617 2.993 10 10 JFCE Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 35960450 RBKBHWKYMZBJKZ-RUZDIDTESA-N 477.609 2.582 10 10 JFCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCOCC5)cc34)CC2)cc1 65002061 MODRGMAEGJVXSN-UHFFFAOYSA-N 475.593 2.632 10 10 JFCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 727308666 RVXXTIOKQJBJEY-DEOSSOPVSA-N 491.636 2.969 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3cccc(I)c3)CC2)cc1 742916031 ADJLORFGKDDZRY-UHFFFAOYSA-N 465.335 2.852 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 1616251246 CMJNSLVPFFGXNL-GOSISDBHSA-N 454.518 2.520 10 10 JFCE CCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)s1 1858406270 FALPDFTUBGQRAV-QGZVFWFLSA-N 463.625 2.679 10 10 JFCE CCOC(=O)c1sc(NC(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1C 1860739097 PFPRTANFTNYVIH-UHFFFAOYSA-N 463.471 2.981 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CNC(=O)c4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869970052 DFJJZQBGIGSNNQ-UHFFFAOYSA-N 491.596 2.737 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871722460 HMNLLNYRMOONIN-IBGZPJMESA-N 493.612 2.952 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873166941 MBICUSHVEUSVKG-UHFFFAOYSA-N 450.583 2.894 10 10 JFCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873547812 VIUBBAXEYQYWAP-UHFFFAOYSA-N 491.640 2.954 10 10 JFCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 1823317 BKDBHYLOOFRUKG-RGHBXIHOSA-N 460.581 2.523 10 10 JFCE COc1ccc(N2CCN(C(=O)CCCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 4038564 LEBNYSXCHFPVER-UHFFFAOYSA-N 456.568 2.669 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 15038427 SDNCECZZDKEEFX-VBKFSLOCSA-N 452.554 2.753 10 10 JFCE Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccncc1 59265153 KSIPSMRZOLDKMQ-UHFFFAOYSA-N 456.487 2.560 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007925 XQVNVXZTTGJAQW-HXUWFJFHSA-N 450.495 2.820 10 10 JFCE CC(=O)Nc1ccc2c(=O)cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c2c1 1866521658 ATABTPQBMSWPRD-HSZRJFAPSA-N 458.522 2.805 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccco3)CC2)cc1 1870360609 SFCFMVAIEGBICJ-UHFFFAOYSA-N 453.539 2.582 10 10 JFCE COCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2053494495 VXNVIYWHDFWBRP-OAHLLOKOSA-N 474.608 2.832 10 10 JFCE COc1ccc(OC)c(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 2323686533 KKOWHEPDVRUGGR-UHFFFAOYSA-N 450.563 2.753 10 10 JFCE COC(=O)C[C@H]1C(=O)NCCN1Cc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 12914002 ZDLMXEIRCBCUHW-QFIPXVFZSA-N 461.518 2.970 10 10 JFCE CCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 33332616 MVLQQEMHFBSCII-SAPNQHFASA-N 457.625 2.756 10 10 JFCE CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCOCC1 40942125 RGRJVQJGTCEFPJ-NTEUORMPSA-N 487.397 2.574 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(Cl)ccc3O)CC2)cc1 1639965216 HLFOAGZQOPCAPU-UHFFFAOYSA-N 450.944 2.965 10 10 JFCE CC(=O)N1CCC[C@@H](Cn2c(N(C)Cc3ccccc3O)nnc2[C@]2(OC(C)C)CCOC2)C1 1760596112 NIEMNBQUQTUZRN-NLFFAJNJSA-N 471.602 2.919 10 10 JFCE COc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1859004280 MHOMJFPXNOIPKK-UHFFFAOYSA-N 469.519 2.727 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864019426 YNMPXQKSWQZOPV-NRFANRHFSA-N 484.516 2.647 10 10 JFCE COCCNC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870964798 VOCPRCYROAONGJ-UHFFFAOYSA-N 480.565 2.992 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCO3)CC2)cc1 1874642791 NEMJVKSTAIJGKX-DQEYMECFSA-N 476.577 2.732 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 20208512 KNKONWYGSRXXHS-XTZGGVIGSA-N 498.542 2.926 10 10 JFCE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 59383157 XJGRHFJTBXMBSE-QINSGFPZSA-N 483.477 2.776 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(OC(F)F)c(OC)c3)CC2)cc1 742939290 COGZWAJPWRFSRE-UHFFFAOYSA-N 464.513 2.927 10 10 JFCE CCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC 1860763643 KYOXVABNSRYNGB-UHFFFAOYSA-N 475.567 2.832 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007699 SFDZAIZQSXDRIX-QFIPXVFZSA-N 494.548 2.838 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865029220 ISBCDBSEBYKOCP-NRFANRHFSA-N 478.549 2.771 10 10 JFCE CC[C@](C)(NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868977605 JOGTUFZIGIKPSD-VWLOTQADSA-N 462.554 2.728 10 10 JFCE COc1ccc(Cn2cc(OCCCO)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870362199 MSYCNDRQYOTEEO-UHFFFAOYSA-N 493.604 2.997 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1 2040498429 JXORLWYBOLOLRN-UHFFFAOYSA-N 455.609 2.590 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)CC1 1296400290 PTZWWIAHXIFIEX-WOJBJXKFSA-N 450.583 2.899 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1540980889 ZOSGQPWITJEYPJ-UHFFFAOYSA-N 490.381 2.958 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCNC(=O)OCc3ccccc3)cc2)CC1 1632945006 JWVNPALSKGIKMQ-UHFFFAOYSA-N 452.555 2.678 10 10 JFCE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859466323 OZLFTINTVNZPLT-UHFFFAOYSA-N 469.409 2.995 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865034207 RKBCGXLRMIBURO-WBMJQRKESA-N 496.486 2.649 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc4[nH]ncc4c3)CC2)cc1 1873534539 KHSCZTXEQLRIPD-UHFFFAOYSA-N 453.506 2.992 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857890 VPAXJUACJUAWOH-UHFFFAOYSA-N 486.531 2.719 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(-n4nnc5cccnc54)cc3)CC2)cc1 64896412 CTKHTYXESGCMHE-UHFFFAOYSA-N 471.565 2.766 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 102439027 SEXNWEVKWUTKEN-MZQDFZGNSA-N 480.521 2.980 10 10 JFCE CCN1CCN(c2ccc(NC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 743287243 GMHXAJDNNZMLQM-UHFFFAOYSA-N 466.630 2.781 10 10 JFCE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSc2nccs2)[C@@H](C)C1 1741040118 AFEFWDGLQPMIPP-HNNXBMFYSA-N 486.627 2.621 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccnc(Cl)c3)cc2)cc1 1858960406 QGIZHPLLXDEESM-UHFFFAOYSA-N 460.899 2.725 10 10 JFCE O=C(NCCc1nc2ccc(F)cc2[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860740658 WIKLYSBIGOSQIR-UHFFFAOYSA-N 456.433 2.775 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3cc(OC)ccc3OC)CC2)cc1 1862238462 BNCHYYBFSJLAGM-OPGJMIRHSA-N 453.539 2.579 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOCC)[C@H]2c1ccc(O)c(O)c1 1864022394 NFQKWQOVQXGGSJ-HNNXBMFYSA-N 484.475 2.961 10 10 JFCE O=C(O)COc1cccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 16926871 PHCQMUGDMDPTSB-WCSRMQSCSA-N 459.457 2.952 10 10 JFCE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 210434160 OYBHOSSUVQZMJR-DHDCSXOGSA-N 459.461 2.604 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)cc2CC1 1661446698 QMHNUHIRRHSVMU-UHFFFAOYSA-N 459.637 2.665 10 10 JFCE CC(C)N1C[C@H](NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1=O 1860344715 AMXGBARXJVNTNX-QGZVFWFLSA-N 469.545 2.700 10 10 JFCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027553 ZBLBVYBGXWQLNW-NRFANRHFSA-N 496.951 2.858 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865033207 UQSHPPZXQXUIPK-QFIPXVFZSA-N 490.560 2.832 10 10 JFCE 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10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871722470 HRODJVQQDZGUBH-UHFFFAOYSA-N 493.612 2.954 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2040498578 NCULNOKVWHFQPH-UHFFFAOYSA-N 497.646 2.848 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2136243353 FFQNSGBDXMPDOJ-HOTGVXAUSA-N 465.547 2.659 10 10 JFCE O=C(N[C@@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)O)OCc1ccccc1 2270521234 HUXZMWZXQSYTJH-AWEZNQCLSA-N 463.295 2.820 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)CC2)cc1 15727990 VUTSQIPAZGMFGI-UHFFFAOYSA-N 452.584 2.903 10 10 JFCE O=C1/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1 35179872 UVDVRCWPQHXQLE-MJWGMMHASA-N 470.597 2.992 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 38619725 JHJGNKLWDYAJCK-QFIPXVFZSA-N 493.520 2.815 10 10 JFCE O=C(O)CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 210415395 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COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H]3CCCN(C)C3)c3ccccc3)CC2)cc1 1862006171 WYHPGPTVZSKZDL-URXFXBBRSA-N 450.583 2.543 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1ccc(O)c(O)c1 1865032014 SWODOTJCPKSBMT-FQEVSTJZSA-N 476.533 2.515 10 10 JFCE CCN(C(=O)CCCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2297500599 CTLPQMOYDRMZEJ-MRXNPFEDSA-N 452.623 2.704 10 10 JFCE Cc1cc(C(=O)CN2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c(C)n1-c1ccccc1 62694182 CEXOGNDGCROKAP-UHFFFAOYSA-N 484.556 2.717 10 10 JFCE CC(=O)N[C@@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 1124835936 QDLKQEVRBPLUSH-XMMPIXPASA-N 457.596 2.699 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861957654 NCBOOUNPDKLHLC-PQCZLFTGSA-N 482.562 2.867 10 10 JFCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864011342 HBLOWSIBPBZXHE-HSZRJFAPSA-N 491.592 2.640 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027214 WEBADGCCDUKRKL-OAQYLSRUSA-N 461.522 2.940 10 10 JFCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865031817 OSYGZZCAHBOIIC-IINYFYTJSA-N 452.433 2.803 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871729886 VVRWUFXPMAFMJC-LJQANCHMSA-N 485.592 2.740 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccnc5)ncnc4n3C)CC2)cc1 1875196094 ILZFXOIWSGLOOV-UHFFFAOYSA-N 457.538 2.946 10 10 JFCE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)ccc21 8600904 VHGAYZQKZXIIPL-UHFFFAOYSA-N 498.649 2.769 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861956372 YMRFXCYMLLCUTC-AWNIVKPZSA-N 452.511 2.860 10 10 JFCE NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864015516 AXOVSPGZJPLKCD-JOCHJYFZSA-N 498.539 2.813 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3cccnc3)N(C)C)c3ccccc3)CC2)cc1 1869054938 FFOMXWIWOUAKRH-FTJBHMTQSA-N 487.604 2.899 10 10 JFCE O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179535 IYKQGTPBUYFYQU-UHFFFAOYSA-N 468.513 2.932 10 10 JFCE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1892086645 NATDXCOFKFYYFP-JBACZVJFSA-N 458.584 2.750 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)C=C3Sc4ccccc4NC3=O)CC2)cc1 2297417137 RPYNNQKYBPRSSC-UHFFFAOYSA-N 452.580 2.952 10 10 JFCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)cc1)C(=O)O 2314930033 WMAHZHXWCFTXAO-QGZVFWFLSA-N 450.582 2.852 10 10 JFCE COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15047607 SNUASWBCAYKNSC-UEMWTREESA-N 477.589 2.571 10 10 JFCE CCCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988007 FAXKJTSZMMIVJL-PEZBUJJGSA-N 472.592 2.649 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 214755631 MSWMQMUVLVHQCQ-NTCAYCPXSA-N 451.526 2.947 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252609306 HRBIMWAVLSEDBL-JOCHJYFZSA-N 480.590 2.523 10 10 JFCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 486526314 LSSAUDLURNGENJ-UHFFFAOYSA-N 484.622 2.775 10 10 JFCE CCOC(=O)CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCC)C2=O)SC1=S 2297450205 BUWDKWMZOCIINT-UHFFFAOYSA-N 490.650 2.605 10 10 JFCE O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1 4098611 LKCOZWLUAKSRQM-UMAWSMADSA-N 452.415 2.693 10 10 JFCE biogenic,in-vitro C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NCc1ccc(N(C)C)cc1 35429023 OWNPDJZYSMLDIT-IBGZPJMESA-N 498.649 2.911 10 10 JFCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989786 VTPCYRCKMFEYNI-KVUXKXQGSA-N 474.608 2.816 10 10 JFCE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 727601196 OBRLOSAOQAHZSD-UHFFFAOYSA-N 458.534 2.792 10 10 JFCE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)n1 1705630749 FIUDEARMPKQJBH-UHFFFAOYSA-N 491.640 2.943 10 10 JFCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4cccc(Br)c4)[nH]3)CC2)cc1 1858527502 PZNKAWXQPNMZSW-UHFFFAOYSA-N 498.381 2.803 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165312 HMKSZVNBBAAKSA-QFIPXVFZSA-N 450.583 2.894 10 10 JFCE Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc4nc(O)[nH]c4c3)C2=O)ccc1Br 2297534430 ZLTSTHYLGFJTSH-UHFFFAOYSA-N 456.256 2.918 10 10 JFCE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1 16909620 YOFABRLJRAUZNB-OVCLIPMQSA-N 459.461 2.604 10 10 JFCE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705590281 GVHIWBMVRFEDJB-MUUNZHRXSA-N 491.636 2.650 10 10 JFCE CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858659983 BAYYZHZRXJFGCC-UHFFFAOYSA-N 491.525 2.999 10 10 JFCE O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868146029 OQNGPIDFFCOHFG-INIZCTEOSA-N 467.481 2.570 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868636295 IKZFQTMJLKZELX-UHFFFAOYSA-N 466.513 2.805 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc5nc[nH]c5c4)[nH]3)CC2)cc1 1871625574 RLBHDRMNPLKEJR-UHFFFAOYSA-N 497.563 2.876 10 10 JFCE COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874016115 ABKLLSLKYJABCT-JOCHJYFZSA-N 497.507 2.962 10 10 JFCE Cc1nc(I)c(NC(=O)c2cccc(O)c2O)c(I)n1 2178366887 BXWXGZFPSCCMJQ-UHFFFAOYSA-N 497.030 2.658 10 10 JFCE CCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccc(C)cn3c2=O)SC1=S 33680321 NXNLURYFKGPODN-LFIBNONCSA-N 454.581 2.923 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=N)N21 96460501 YDFKBSBFAVDKOT-XTZGGVIGSA-N 498.542 2.926 10 10 JFCE COC(=O)c1cc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)ccc1O 1859475158 XHTLVBPMKLPJOR-UHFFFAOYSA-N 466.471 2.776 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1 1865304037 ABHDIYRAXDBMRL-OAQYLSRUSA-N 463.538 2.856 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 1868968657 ASVJBOBHJQAPBA-RUZDIDTESA-N 489.576 2.691 10 10 JFCE COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 6161627 ROSROZBRULJHRM-MHWRWJLKSA-N 450.314 2.911 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(Cc5ccccc5)CC4)ncn3)CC2)cc1 1858248697 GYHUGORICDTJOB-UHFFFAOYSA-N 472.593 2.770 10 10 JFCE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864007195 HMXYESMEXRNPOW-QFIPXVFZSA-N 477.565 2.745 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017797 VJUWNSXXRKAIDP-HXPMCKFVSA-N 484.940 2.691 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2 1865030345 IAQODAPCPZCFIQ-UZLBHIALSA-N 498.580 2.763 10 10 JFCE CC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869040009 NSKRFIAPDYRHQI-IBGZPJMESA-N 451.527 2.546 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2200951424 BCTFKYLYYBBHFW-IRXDYDNUSA-N 477.558 2.825 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@H]1CCCO1 2313631589 SDLYEDIWDOIXIB-HXUWFJFHSA-N 486.528 2.599 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(F)cc4)o3)CC2)cc1 8588359 UKFXAFPENWWJHO-UHFFFAOYSA-N 453.518 2.750 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)CC2)cc1 742916383 GLWKWOYVOFBOFI-UHFFFAOYSA-N 494.636 2.641 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865029380 LYGYAGRXLAFXEB-JOCHJYFZSA-N 489.576 2.827 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@H](C(=O)OCC)C1)[C@H]2c1ccc(O)c(O)c1 1865035186 NNTZKWKNLXXYPW-JXFKEZNVSA-N 498.580 2.763 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3OC)CC2)cc1 1865585219 DQXZEQSEOZGFMT-QHCPKHFHSA-N 489.576 2.789 10 10 JFCE CC[C@@](C)(NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869040253 PTBXKUBOYAWBDA-RUZDIDTESA-N 465.554 2.936 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1869113992 RZFIERFQJQZEQC-XMMPIXPASA-N 490.608 2.974 10 10 JFCE CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873585039 NHUZXJXDIYLGIA-UHFFFAOYSA-N 466.586 2.943 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296546471 ZJRCDBOFRPRBOF-INIZCTEOSA-N 452.561 2.979 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5OC(C)=CC5=NC4=O)cc3OC)nc2s1 2297350855 UEQSOXKCWDJFAJ-UHFFFAOYSA-N 492.517 2.751 10 10 JFCE CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1 8609396 GXEPBOJRHRFPKW-UHFFFAOYSA-N 454.596 2.961 10 10 JFCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1 8609585 IOFSCCPMFPQSGJ-HXUWFJFHSA-N 454.596 2.961 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3c(OC)cccc3OC)CC2)cc1 1862126331 ONNJKWUQLVKTSF-FQEVSTJZSA-N 453.539 2.666 10 10 JFCE COc1ccc(OCCCC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862233417 SODJGRWUNCBNNI-LJQANCHMSA-N 455.555 2.716 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(F)c(F)c3F)CC2)cc1 1862270577 BZSLOUIBXJFFFI-SFHVURJKSA-N 465.497 2.976 10 10 JFCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865031293 DPIUWUQCWNRFNP-OAQYLSRUSA-N 489.576 2.840 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4CC(=O)N(C(C)C)C4)n(C(C)(C)C)n3)CC2)cc1 1869970938 UIOWQVFKFXVDKK-SFHVURJKSA-N 483.617 2.564 10 10 JFCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314414788 MGTBGCVHYXVFKI-UHFFFAOYSA-N 452.561 2.809 10 10 JFCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5)n3)cc2N(C)C1=O 11857974 XGFDGHTTXWWURS-NSHDSACASA-N 470.532 2.849 10 10 JFCE CC(C)C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1)N1C(=O)c2ccccc2C1=O 1858074669 QHEWQUFMKXXXIY-LOSJGSFVSA-N 492.620 2.953 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012320 XRODOGQYPJBESJ-FQEVSTJZSA-N 450.470 2.763 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCN(C)CC5)ncnc4n3CC(C)C)CC2)cc1 1873549980 HGKKFFQMGJPYCP-UHFFFAOYSA-N 491.640 2.810 10 10 JFCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 2136252464 CXCNUISIUPYQIY-INIZCTEOSA-N 465.547 2.611 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)cc1 2314934049 FXRMTBOQELOAMU-UHFFFAOYSA-N 472.500 2.932 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCCO4)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 8674010 XJIJJOKLZSSUDQ-UHFFFAOYSA-N 483.502 2.533 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1 40450171 AVEGBSJUCKXXAQ-UHFFFAOYSA-N 494.411 2.878 10 10 JFCE CN(C)S(=O)(=O)N(Cc1ccc(C(=O)O)o1)c1cccc2c1C(=O)c1ccccc1C2=O 586233173 AOFBFSWCPCZPFE-UHFFFAOYSA-N 454.460 2.566 10 10 JFCE COc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 1858043928 BUBFQSPTUZRKBL-UHFFFAOYSA-N 466.556 2.677 10 10 JFCE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865031875 QKEUFIMUMMKJOB-OAQYLSRUSA-N 489.576 2.746 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)N2CCCCC2)cc1 1866025980 GZSIPEFBSBSYTO-JOCHJYFZSA-N 479.537 2.600 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868761580 UDFOCLSAPOBJCZ-FQEVSTJZSA-N 461.566 2.965 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCNc3ccccc3OC)C(C)C)CC2)cc1 1868796166 PIFFPBYGXRCJFP-RUZDIDTESA-N 468.598 2.995 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)nn3)c3ccccc3)CC2)cc1 1869057954 AAQXYPBNSOAKNX-JOCHJYFZSA-N 465.941 2.959 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 1861979233 XEIPKQOQZBPBGJ-RBBKRZOGSA-N 482.600 2.900 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008511 LSEKABCIVFSKTR-LJQANCHMSA-N 470.913 2.703 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864013466 XBNAQHBPZCXICL-NRFANRHFSA-N 496.539 2.891 10 10 JFCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019657 OJZNZKYKUAXMIU-KSFYIVLOSA-N 492.576 2.713 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021629 DJFUUMUAGZSPRW-SFHVURJKSA-N 450.495 2.726 10 10 JFCE COCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(C)cc1 1869969639 HGNKUDIISJKYEX-UHFFFAOYSA-N 450.543 2.886 10 10 JFCE Cc1cc(-n2c(C)cc(C=CC(=O)N(C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c2C)no1 2040473978 GXYWGEBXXOGAPO-UHFFFAOYSA-N 474.521 2.960 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=N)N21 2297345747 YDFKBSBFAVDKOT-UHFFFAOYSA-N 498.542 2.926 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 2313681358 CIFQYLUNDHUZAD-UHFFFAOYSA-N 452.467 2.975 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 9742242 GGYSEJQRMQUMPG-DEOSSOPVSA-N 484.622 2.521 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33811863 GSITXSHTWQOVTP-WJDWOHSUSA-N 460.581 2.622 10 10 JFCE O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)C(=O)N1 59391688 ANHJFFVWWGSMOC-UHFFFAOYSA-N 458.455 2.879 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248065392 RCLGOHMXMZDSTJ-IMIIHFCZSA-N 494.548 2.773 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865032515 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Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864007407 MCXOFTABUMCZDJ-QFIPXVFZSA-N 469.501 2.998 10 10 JFCE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)C1 1865029206 IOBQHXCCSTXCQJ-DYESRHJHSA-N 498.580 2.755 10 10 JFCE CCOc1cc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2323683563 IFKJZAWTWJNARA-UHFFFAOYSA-N 450.563 2.840 10 10 JFCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 1830150 BITGIPHSUDVEGO-FMQUCBEESA-N 483.571 2.898 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)NCc4ccccn4)n3)CC2)cc1 9650754 AZIGJDRPAUHWKG-UHFFFAOYSA-N 466.567 2.760 10 10 JFCE COc1ccc(S(=O)(=O)NCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1OC 746424327 LJXDEHPEUZKRMR-UHFFFAOYSA-N 471.579 2.749 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c2)CC1 1128145093 VKOFRNYVYQMZMV-UHFFFAOYSA-N 455.458 2.901 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861909118 BOEVRJQVRRCHTR-NRFANRHFSA-N 470.551 2.776 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864020289 AATBUTGWPOVDCI-LJQANCHMSA-N 458.559 2.893 10 10 JFCE CC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927173 LYBCAMRHJQDVIA-DNVCBOLYSA-N 482.558 2.510 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCCO)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871547377 IBLRYZBTHNRXBD-UHFFFAOYSA-N 495.603 2.898 10 10 JFCE COCCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873591991 LTTVHGQJSFPNNB-UHFFFAOYSA-N 490.564 2.936 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2200962735 OXCSEJFDLBWJPP-BBWFWOEESA-N 477.558 2.754 10 10 JFCE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 2314932177 TWGMMRGEMONCCS-UHFFFAOYSA-N 459.461 2.604 10 10 JFCE COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CCN(Cc1ccc(N3CCCC3)cc1)CC2 14975647 WNSGXJBBENIDMZ-UHFFFAOYSA-N 493.633 2.902 10 10 JFCE Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 35960449 RBKBHWKYMZBJKZ-VWLOTQADSA-N 477.609 2.582 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2cc(Cl)cc(Br)c2O)CC1 708111431 RHIBLHJEORANLR-UHFFFAOYSA-N 462.772 2.977 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(-c4nnc(NC(C)=O)s4)n4ccccc34)CC2)cc1 1858354051 SPBZPBBCPRZEMX-UHFFFAOYSA-N 477.550 2.782 10 10 JFCE O=C(O)c1cc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)ccc1O 1859466278 MRFKIUPOMHOXOE-UHFFFAOYSA-N 466.471 2.730 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3cccc(C)c3C)CC2)cc1 1862193289 UQRSDIZXQKEWCC-QFIPXVFZSA-N 469.607 2.941 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864017862 XLGVBVIQQGGMRO-JOCHJYFZSA-N 491.592 2.999 10 10 JFCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864019302 IEQKKUWNNFQJAH-FQEVSTJZSA-N 498.967 2.752 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865028694 YCRALRNOPJCUEW-NRFANRHFSA-N 496.951 2.923 10 10 JFCE 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CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865034741 CUMZMOAKMNVJGZ-LAUBAEHRSA-N 484.597 2.971 10 10 JFCE COc1cc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)ccc1OCc1ccccc1 20058189 BSTZOZTYGQYAIL-JWGURIENSA-N 453.564 2.854 10 10 JFCE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 726245768 AUYHFKMSEGZDKG-RUZDIDTESA-N 480.657 2.908 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Br)ccc3C)CC2)cc1 743432163 HNXYVOTWXXMQLY-UHFFFAOYSA-N 475.387 2.643 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1 1615103992 BVKHBWDMJZEODI-XTEPFMGCSA-N 484.637 2.828 10 10 JFCE O=C(CCc1ccccc1F)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597530 XBWKDQKVRNQCID-NRFANRHFSA-N 460.461 2.650 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867409706 HVCSYVBEOPJUJO-PKTZIBPZSA-N 473.017 2.840 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297345992 UTGDASUVEMUUHM-UHFFFAOYSA-N 490.544 2.597 10 10 JFCE 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FAXOFYIOZKPTKG-UHFFFAOYSA-N 466.632 2.978 10 10 JFCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 2314837130 OSDZFDVVTSNAEA-GFCCVEGCSA-N 482.580 2.760 10 10 JFCE CC(=Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330454796 DXYNNABEXZPPIR-QFIPXVFZSA-N 454.482 2.981 10 10 JFCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989712 WEGVHRRODNVABI-NWRYFCBHSA-N 474.608 2.961 10 10 JFCE Cc1c(NS(=O)(=O)c2ccc(N=NN3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C 254407766 ROPGDTGSOCYBMU-UHFFFAOYSA-N 456.528 2.616 10 10 JFCE CN1CCN(NC(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586691120 BEUWEWWSXXCYCG-UHFFFAOYSA-N 483.528 2.998 10 10 JFCE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 726245771 AUYHFKMSEGZDKG-VWLOTQADSA-N 480.657 2.908 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1 1556199721 TYMSOHQOVMCDJC-UHFFFAOYSA-N 458.562 2.945 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861989958 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CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873167030 PGVAJGOEDXVPFV-UHFFFAOYSA-N 466.582 2.715 10 10 JFCE CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 9135530 LFEMUZVGVRJAFU-NRFANRHFSA-N 450.539 2.690 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C(=O)O)c1OC 16906232 BILSREMRUNZRAS-NTEUORMPSA-N 489.487 2.856 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865029381 LYGYAGRXLAFXEB-QFIPXVFZSA-N 489.576 2.827 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2 1865029703 TZHYMPBGUOGOCC-HXUWFJFHSA-N 486.569 2.670 10 10 JFCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@H]1CCCO1 2313630091 IUAYKTUUTVSKPQ-GOSISDBHSA-N 451.479 2.675 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2376216 ZJRCDBOFRPRBOF-PCJMVEANSA-N 452.561 2.979 10 10 JFCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C)C3=O)c3ccccc32)c(OC)c1 33374328 UMDZVACGCNYEQV-VHEBQXMUSA-N 469.544 2.890 10 10 JFCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(CC)CC2)SC1=S 33812553 ZKDCVNLPSZAEDK-RGEXLXHISA-N 471.652 2.968 10 10 JFCE N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103617234 RVQGSOLBLBZUDH-FNSVQNJISA-N 467.482 2.954 10 10 JFCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NCc2ccccc2)cc1 248039626 KJDPULORBIFBHR-PFBJBMPXSA-N 498.583 2.911 10 10 JFCE COc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1-n1nnnc1C 726720523 YSZUZZCBURRMKL-UHFFFAOYSA-N 473.537 2.684 10 10 JFCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)N2CCCCC2)cc1 1858074571 MAQCBHKMCTVHFH-HSZRJFAPSA-N 456.612 2.777 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4cccc(F)c4)[nH]3)CC2)cc1 1858537335 HEXZBMQSKZGJJQ-UHFFFAOYSA-N 451.502 2.570 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864008804 SKXINIBBQZMDSH-PGRDOPGGSA-N 476.533 2.641 10 10 JFCE COC(=O)c1ccccc1N1C[C@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865923497 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2297497715 VIVHDLZBPXCSKS-UHFFFAOYSA-N 461.477 2.620 10 10 JFCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989571 CXFDXNQIDZPBGC-SDKMPEEESA-N 460.625 2.895 10 10 JFCE COc1ccc(-c2c(C)oc3c(CN4C[C@@H](O)C[C@@H]4C(=O)O)c(O)ccc3c2=O)cc1OC 1615247558 DZRVZMASGOPJQI-WMLDXEAASA-N 455.463 2.511 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012293 WXIWFUQIJMTWDM-HXUWFJFHSA-N 450.470 2.763 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013835 HBWSVKIUJMCWSB-DNVCBOLYSA-N 456.543 2.647 10 10 JFCE CCCC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868770142 KPYOSTYSGFGDDA-QFIPXVFZSA-N 453.587 2.935 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873167210 WLGCOIGHSOGCJR-UHFFFAOYSA-N 490.585 2.774 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C=Cc3ccc(Br)cc3)CC2)cc1 2328570353 UXPMOPLNWUNVNT-UHFFFAOYSA-N 458.356 2.936 10 10 JFCE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33478252 ZDXYCNMFJJUJKA-QGOAFFKASA-N 457.625 2.577 10 10 JFCE CCN(CC)c1ccc([C@@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 59074392 BIOKMHKCNLTDCD-HSZRJFAPSA-N 472.611 2.990 10 10 JFCE CN1C(=O)C(=CNNc2ncnc3cc(-c4ccc(Br)cc4)sc23)C(=O)N(C)C1=O 814318112 ARRPHIONYMDIGC-UHFFFAOYSA-N 487.339 2.972 10 10 JFCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cn3)CC2)cc1 1858431821 DXCUIFXTQAIULM-UHFFFAOYSA-N 482.562 2.989 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007924 XQVNVXZTTGJAQW-FQEVSTJZSA-N 450.495 2.820 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864020978 JUVRWNXHSHLHGU-FQEVSTJZSA-N 471.602 2.665 10 10 JFCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028335 SBFFFYRVOZYBRB-QFIPXVFZSA-N 492.532 2.616 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868716671 MSHGCJVDJSDQMK-UHFFFAOYSA-N 455.555 2.500 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2200951238 JGFNTLLAERHBJV-INIZCTEOSA-N 477.558 2.755 10 10 JFCE COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2OC)cc1 2297365490 NOGIFVXXSSJRGS-UHFFFAOYSA-N 472.504 2.720 10 10 JFCE CC[C@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330519047 UYMKVYJRENXDTP-QFIPXVFZSA-N 465.550 2.723 10 10 JFCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356701 KOYLPMHJTQRACD-BXODQFHZSA-N 482.478 2.772 10 10 JFCE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 40845391 AFIBZTZCTFHGHB-ZCXUNETKSA-N 467.528 2.513 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCOc1ccccc1OC 205945701 ZUTAOYYKNVEBPJ-PXLXIMEGSA-N 468.466 2.812 10 10 JFCE CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1447713608 QGZGTYFHQOEOKA-HXUWFJFHSA-N 451.567 2.960 10 10 JFCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@H]2c1ccc(O)c(O)c1 1865034534 YQUQGESIHHLMPJ-FQEVSTJZSA-N 492.532 2.543 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)cc1 1890488933 YHXFLSCTGYMUND-XZOQPEGZSA-N 452.580 2.587 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3c(OC)cccc3OC)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009334 PKRAQBGLFCXTEW-UHFFFAOYSA-N 485.518 2.779 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](c3ccccc3)N3CCOC3=O)cc2)CC1 1632946268 VPCCKAWKXNUWSY-HSZRJFAPSA-N 450.539 2.555 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cc(C)c(OC)cc4C)C3)CC2)cc1 1858403815 BGILQBGCPGNKNN-FQEVSTJZSA-N 487.622 2.680 10 10 JFCE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cccc1[N+](=O)[O-] 1858960973 FTRITIIAMDUXAR-UHFFFAOYSA-N 484.490 2.893 10 10 JFCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296538135 BITGIPHSUDVEGO-UHFFFAOYSA-N 483.571 2.898 10 10 JFCE C[C@@H](NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21)c1ccccc1 2326943711 CJHKZRADZKNTER-CQSZACIVSA-N 495.582 2.957 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)o3)C2=O)cc1 4471598 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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2136258735 LRZWWYAGRRWORR-HOTGVXAUSA-N 465.547 2.659 10 10 JFCE CCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)s1 2314490181 VWJYHMRYLJBYNW-UHFFFAOYSA-N 450.567 2.958 10 10 JFCE CCOc1ccc(C=CC(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330607634 SCNCTMLCCKDFDD-IBGZPJMESA-N 467.566 2.969 10 10 JFCE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 56966072 IQJABFPWUBPNGD-UHFFFAOYSA-N 454.390 2.558 10 10 JFCE Nc1ccc2nc3ccc(N)cc3c(NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2c1 167676637 MUQLMPJOQLWRAL-HFMPRLQTSA-N 493.637 2.806 10 10 JFCE CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\NCCCOc3ccc(CC)cc3)C2=O)cc1 1084291461 AADGBDPPBUIEOR-LTGZKZEYSA-N 465.506 2.951 10 10 JFCE CC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 1666676486 ZQXRGOBUKVLQPA-UHFFFAOYSA-N 453.358 2.967 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cnc[nH]2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008712 QHCRFNHGRBEYAQ-JOCHJYFZSA-N 486.532 2.677 10 10 JFCE 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COc1cccc([C@@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 59086930 YPNWDNDKDSHHQD-VSCPTIONSA-N 477.517 2.602 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 729346753 DNYSBIPGKXORNN-QFIPXVFZSA-N 489.041 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3)CC2)cc1 1862113737 ZAOBBHRLHNVMKO-DEOSSOPVSA-N 462.525 2.919 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864013528 XVXLTOWGJWVOJP-AOMKIAJQSA-N 492.576 2.795 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865032260 ZFDNWUOXWDUHRR-NRFANRHFSA-N 489.576 2.840 10 10 JFCE CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 1868163944 PWMWMIDIHSMXOG-UHFFFAOYSA-N 489.553 2.650 10 10 JFCE CC[C@](C)(NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868676638 NWXUCRXANGQZOH-OZXSUGGESA-N 452.599 2.932 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 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2296705926 ADXBLOMSNCMIOJ-UHFFFAOYSA-N 499.662 2.891 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 35518248 DSIDQDFXRQWHED-AQTBWJFISA-N 488.547 2.810 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=N)N21 96462693 PUMSWGWLSFBIOL-KOKPZHPOSA-N 478.353 2.861 10 10 JFCE O=C1c2ccccc2C(=O)[C@H]2C(Cl)=C(NC3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)C=C[C@H]12 101349131 XCYXJSNBCYENDD-WMLDXEAASA-N 469.862 2.965 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2cc(Br)ccc2O)C1 721728752 ZMRRMQUULDGJGM-OAHLLOKOSA-N 463.394 2.669 10 10 JFCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 872033199 BRMCEXWYJXCARN-UHFFFAOYSA-N 491.919 2.995 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)CC2)cc1 1615108429 YBFJFMBRSGZERV-NOZRDPDXSA-N 494.991 2.696 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccc(F)cc4)[nH]3)CC2)cc1 1858539236 SALJXHCZNPFYQR-UHFFFAOYSA-N 451.502 2.570 10 10 JFCE CN1C(=O)COc2cc(NC(=O)CNCc3cc(Cl)cc(Br)c3O)ccc21 1860721128 IANWAIANULADHI-UHFFFAOYSA-N 454.708 2.892 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@H]2c1ccc(O)c(O)c1 1865026959 UMESAPNZARHCNI-QHCPKHFHSA-N 489.576 2.974 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1 2294095455 ROCXFLMMYOQHKG-UHFFFAOYSA-N 478.530 2.716 10 10 JFCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)NC3=O)c(=O)n2c1 2295838601 KAEKSOYQJYZJHY-UHFFFAOYSA-N 477.615 2.814 10 10 JFCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(S(N)(=O)=O)cc1 2313682315 ZUAJZLHCQQXSOL-UHFFFAOYSA-N 471.539 2.851 10 10 JFCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314413571 BBILILPHBISJPV-OAHLLOKOSA-N 474.608 2.913 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCC(Cn4c(=O)[nH]c5ccsc5c4=O)CC3)CC2)cc1 10274376 KXBVYRUQJPMSCZ-UHFFFAOYSA-N 482.606 2.915 10 10 JFCE Cc1cn([C@@H]2C[C@@H](O)[C@H](COC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)O2)c(=O)[nH]c1=O 32603062 GETBTQQFQMIIOL-WIZFVHPQSA-N 493.520 2.832 10 10 JFCE CCN(C(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 102429392 SNZDMFKZYXHBOC-HZGBGQKMSA-N 482.649 2.712 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017301 JIVVARHMRVLKFQ-OAQYLSRUSA-N 477.565 2.527 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865035692 ZISKZSNMIMYIAW-JXFKEZNVSA-N 470.570 2.725 10 10 JFCE COc1cccc(OC)c1C(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867349718 WTAHOSCBBKRKRV-OAQYLSRUSA-N 468.598 2.843 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(OC(C)=O)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970843 RMPSPAOWGSNFBM-UHFFFAOYSA-N 492.580 2.968 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2136242964 CGJBEBLTMRAREQ-PMPSAXMXSA-N 465.547 2.563 10 10 JFCE COC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2294095534 WBCIIHHVCCLPKH-UHFFFAOYSA-N 459.252 2.667 10 10 JFCE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 2297320211 KNNIVUKTSMMDLY-UHFFFAOYSA-N 475.286 2.589 10 10 JFCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1 2297346298 SOZRQWFOHFMQSM-UHFFFAOYSA-N 457.537 2.724 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N21 20206766 DXQHBRUXYLAIEW-OIAJVEJOSA-N 470.374 2.526 10 10 JFCE COc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1858612436 WZCFHGMSFNZAEB-UHFFFAOYSA-N 466.471 2.990 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1 1871487550 OPQLOELDVOZRGC-UHFFFAOYSA-N 490.395 2.505 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1 2328609003 NCBOOUNPDKLHLC-JOCHJYFZSA-N 482.562 2.867 10 10 JFCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C2=O)c(OC)c1 9260250 PYDKXYSSXWIWNT-PDGQHHTCSA-N 461.430 2.859 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(Br)c3)CC2)cc1 11796497 HHXCQBXAHBWNOR-UHFFFAOYSA-N 496.427 2.730 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)cc2)CC1 1472557219 JPIQVIYYEQXLSX-NRFANRHFSA-N 452.452 2.527 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 1862069446 QTYXWQCNORXVKD-LJQANCHMSA-N 473.577 2.837 10 10 JFCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029929 YRHYREGHGMGXDY-HXUWFJFHSA-N 496.951 2.787 10 10 JFCE COc1cc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1OC 2323683508 BSZLSQMREBYPMV-UHFFFAOYSA-N 480.589 2.761 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)cc3OCC(F)(F)F)CC2)cc1 743432175 HRPKDSNHJZUVGM-UHFFFAOYSA-N 494.514 2.822 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1508256748 IYJMPDVRFMPTMF-UHFFFAOYSA-N 457.579 2.556 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cc(C)c(C)cc4OC)C3)CC2)cc1 1858403866 COBRVVBIXVOXMF-HXUWFJFHSA-N 487.622 2.680 10 10 JFCE COc1ccc(OC)c(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1858607705 TZAZXWIRIUEBLL-UHFFFAOYSA-N 466.471 2.990 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)=O)CC4)nc(C(C)C)n3)CC2)cc1 1869096162 PUNPZQRAPYJPEB-UHFFFAOYSA-N 452.603 2.646 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871581692 SKRRWNKTQBIIIN-UHFFFAOYSA-N 494.619 2.605 10 10 JFCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 16909894 OYBHOSSUVQZMJR-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 33248940 SHDBUEASFZJNBD-BCVDLATCSA-N 456.539 2.689 10 10 JFCE CCn1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862020499 VOWHMTKPRJINCE-RUZDIDTESA-N 488.588 2.567 10 10 JFCE COc1ccc(OC)c(N2C(=O)C(=C3C(=O)N(CC(=O)O)c4ccccc43)SC2=S)c1 2313621612 ZXBGBPSBWGSZQS-UHFFFAOYSA-N 456.501 2.911 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)cc4)c4c(=O)n(C)cnc34)CC2)cc1 64991872 LGOJKKRENGWFGS-UHFFFAOYSA-N 478.940 2.744 10 10 JFCE CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1 1616152396 NNFWKNVHZIWGPS-VKINHPFQSA-N 451.611 2.650 10 10 JFCE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1668495510 ZPYVJRHVZDLUMT-UHFFFAOYSA-N 456.948 2.885 10 10 JFCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858039643 SUMHRRIAVBXLMA-QFIPXVFZSA-N 478.549 2.623 10 10 JFCE CC(=O)Nc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1858957522 DLDWYOPJNYFAPC-UHFFFAOYSA-N 482.518 2.635 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3c(OC)cccc3OC)CC2)cc1 1862126332 ONNJKWUQLVKTSF-HXUWFJFHSA-N 453.539 2.666 10 10 JFCE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864015547 BVUKAWMCIQNYAS-QVKFZJNVSA-N 499.527 2.537 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019337 IXBWTZWBFUATTP-QFIPXVFZSA-N 491.592 2.586 10 10 JFCE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865031175 AQMLMWBBBSPGEG-OAQYLSRUSA-N 489.576 2.746 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873169867 ZWFCDVRHJTVWCI-UHFFFAOYSA-N 494.636 2.911 10 10 JFCE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1 2044204122 IICPQTBKEUYFTR-UHFFFAOYSA-N 452.552 2.572 10 10 JFCE COc1ccc2c(c1)CCCN2CC(=O)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 2297430427 CVYKSUUYGPYYEK-UHFFFAOYSA-N 455.580 2.593 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)CCc3ccccc3)CC2)cc1 38483552 YXNRIABOPWDPRT-UHFFFAOYSA-N 485.592 2.911 10 10 JFCE CC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1 101764299 WNAIKGMXWMHYSL-OAQYLSRUSA-N 461.522 2.612 10 10 JFCE COc1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861936796 ROGCVJMGDMWNMM-NCMXAVOXSA-N 467.591 2.967 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861995525 BBNCNJJEXPAOHK-GGAORHGYSA-N 464.610 2.761 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864008796 SJLXEIPFUJKHAQ-FQEVSTJZSA-N 483.956 2.618 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868942805 QOQQROSBWSOPDY-UHFFFAOYSA-N 450.583 2.944 10 10 JFCE CCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870679572 UBWQSTMCCYAKTE-UHFFFAOYSA-N 470.614 2.884 10 10 JFCE CCCCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873553781 DMPQHYRUGZWRBR-UHFFFAOYSA-N 466.586 2.631 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136241182 WAYYBQLROFKNJZ-PMPSAXMXSA-N 465.547 2.563 10 10 JFCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314414214 SMQNQMPJJXZNEO-UHFFFAOYSA-N 456.593 2.983 10 10 JFCE C[C@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1)C(=O)O 2314928804 BSRMEOFLGFUBGM-LBPRGKRZSA-N 464.546 2.633 10 10 JFCE COc1ccc(N2CCC(O)(CN3[C@H](CNC(C)=O)C[C@]4(C)[C@@H]3CCCC[C@@]4(C)O)CC2)cc1 1615193228 SDMPNXRYFOXZOM-ADXHGGABSA-N 473.658 2.937 10 10 JFCE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CNCc3cc(Cl)ccc3O)cc2)n1 1860721331 OMQAUJZPMJEWEK-UHFFFAOYSA-N 461.931 2.673 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3ccco3)CC2)cc1 1862037022 RXGJVOIVZCNDID-DEOSSOPVSA-N 491.544 2.903 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009256 CXJUKQDXNLQPAM-NRFANRHFSA-N 480.521 2.521 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864016880 ZMHFIRMWHJYWBJ-NRFANRHFSA-N 491.592 2.990 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865027328 GSKJFQLLFZTWJN-FQEVSTJZSA-N 484.940 2.781 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc([N+](=O)[O-])cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970502 LZJXJDNLKMNBDN-UHFFFAOYSA-N 479.541 2.951 10 10 JFCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(S(N)(=O)=O)cc1 2313681680 KTCJKHFHEREHTE-UHFFFAOYSA-N 455.565 2.773 10 10 JFCE CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 8813946 LOCRJKJTZSHPHG-DEOSSOPVSA-N 480.609 2.836 10 10 JFCE CN(C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21)C1CCCCC1 1860826712 JPEOXCKNFWYKSA-VXPUYCOJSA-N 487.603 2.870 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015598 SNJZVWLEMRTXPC-HNNXBMFYSA-N 460.412 2.861 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864020046 VBWJQJFPXLJWEX-IBGZPJMESA-N 484.940 2.957 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1O 1865528791 SLHLZSJCFMBBQS-QHCPKHFHSA-N 489.576 2.969 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2040498196 FFCWVQIRKHLRHR-UHFFFAOYSA-N 474.608 2.568 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15038206 BEQHPNKVOALYKY-YBEGLDIGSA-N 498.007 2.923 10 10 JFCE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1 32933582 FHEBJLBICDCCCM-SANMLTNESA-N 480.613 2.562 10 10 JFCE Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 33337454 BCZSNPUTGWVADJ-CPNJWEJPSA-N 457.577 2.880 10 10 JFCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(=O)N=C2O)c2ccccc21 33932871 OUMSJOXRKRZZON-NDENLUEZSA-N 476.489 2.919 10 10 JFCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 40937760 KHLLBLHGGIYYBG-LFIBNONCSA-N 452.554 2.618 10 10 JFCE COc1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccc5nnc(C)n5n4)c3C)CC2)cc1 64977638 AQEQXCBLSYNCAZ-UHFFFAOYSA-N 474.569 2.525 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)cc2)CC1 1154276252 PJXLDAMJUYPYAY-SFTDATJTSA-N 458.603 2.911 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccn4)n4ccccc34)CC2)cc1 1858223911 IVQPXUNUDSYGGR-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865031415 GJPZQLNYKPSZNE-IERDGZPVSA-N 490.560 2.907 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865035382 SBKYLOOECZVEQX-NRFANRHFSA-N 496.539 2.580 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1 1869050379 YDAMCOSLCYURIC-RPBOFIJWSA-N 481.593 2.736 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(C(C)C)n3)CC2)cc1 1869095418 ODFZFSSTNVTKFU-UHFFFAOYSA-N 464.614 2.994 10 10 JFCE COCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871688874 SZMAPPSOBJMPJR-UHFFFAOYSA-N 479.585 2.748 10 10 JFCE O=C(NN1C(=O)C(=Cc2ccc(I)o2)SC1=S)c1cccnc1 2314717612 GHYZFHOQEBPQOX-UHFFFAOYSA-N 457.274 2.825 10 10 JFCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)c1 2314933118 TUJVWNCZNGWAAP-UHFFFAOYSA-N 474.516 2.713 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 2326941581 ULKKUINYEYQOAI-UHFFFAOYSA-N 467.528 2.718 10 10 JFCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 15048072 OSDZFDVVTSNAEA-IEMQHYRPSA-N 482.580 2.760 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1518368901 KHTPAPAYZKBGNU-QFIPXVFZSA-N 452.511 2.865 10 10 JFCE COc1ccc(N2CCN(C(=O)CC[C@]3(c4cc(Cl)ccc4OC)NC(=O)NC3=O)CC2)cc1 1858174096 UIUCAPNGSJYGJS-XMMPIXPASA-N 486.956 2.521 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865115668 COEIVMSKVMRVEU-JOCHJYFZSA-N 489.576 2.740 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869969333 LQRHJWSXDVBFPL-UHFFFAOYSA-N 456.934 2.821 10 10 JFCE CCOC(=O)COc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870694306 XGJATIBGMXWDRZ-UHFFFAOYSA-N 492.576 2.564 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672116 TXIJRBDYTISUGJ-UHFFFAOYSA-N 499.623 2.789 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170272 SZSDDEZJHZXZNI-UHFFFAOYSA-N 485.588 2.691 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3cc(OC)ccc3OC)CC2)cc1 2331192987 BNCHYYBFSJLAGM-SFHVURJKSA-N 453.539 2.579 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)cc1 9684559 MQFUZHSKJCTUMC-UHFFFAOYSA-N 460.600 2.777 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)ccc1O 15044594 GGJQYFVXDLRXGM-WJDWOHSUSA-N 452.554 2.753 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 20208226 HVYUCVIPLFKSHI-FZKGXIISSA-N 458.477 2.656 10 10 JFCE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596224 QAKHROQELRTQAV-MNKHYIEKSA-N 466.718 2.937 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864010338 KYBNSDGVHBRETQ-IBGZPJMESA-N 458.559 2.801 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865356532 AJZPEBKUWMIDSY-HSZRJFAPSA-N 490.608 2.856 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1 1869008759 ILGPBMYAWPRJKI-UHFFFAOYSA-N 474.561 2.542 10 10 JFCE O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179749 NRQPYSMGFSYTOW-FQEVSTJZSA-N 453.454 2.911 10 10 JFCE O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179750 NRQPYSMGFSYTOW-HXUWFJFHSA-N 453.454 2.911 10 10 JFCE CCCCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040498065 BGOFVFMKCFMLQX-UHFFFAOYSA-N 476.624 2.897 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OC 2297349846 BEXQFVWHWXZZTN-UHFFFAOYSA-N 475.251 2.831 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314832033 YHJALFPASHCARM-UHFFFAOYSA-N 461.590 2.954 10 10 JFCE Cc1ccc(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)c(O)c1Br 2381126047 MYZMGLIVFRXOQI-HXUWFJFHSA-N 499.358 2.907 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCCC(=O)O 210466517 OYWFHSMIFQQNET-BOPFTXTBSA-N 473.532 2.880 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252676858 XSDFVFCOCZQLOY-JOCHJYFZSA-N 492.557 2.773 10 10 JFCE CC(=O)NCCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586610600 JDLQMBFDLVEKDE-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE [N-]=[N+]=NCCNC(=O)c1cc(I)cc(I)c1O 701303212 KSQROWTVXVPFPJ-UHFFFAOYSA-N 457.997 2.642 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)CC2)cc1 742926843 CBIAPNWDVYXAAE-GOSISDBHSA-N 474.602 2.833 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)cc1 1858956036 FOGZPJBIOCQEIY-UHFFFAOYSA-N 457.483 2.744 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864014123 NUEZRGPVHDMBAO-LJQANCHMSA-N 458.559 2.893 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864022423 WDNXKTAIGXHLER-OAQYLSRUSA-N 494.548 2.905 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1 1865599944 LLXLBGKDDCHTRB-JOCHJYFZSA-N 476.581 2.982 10 10 JFCE COC(=O)c1c(NC(=O)CC[C@H](N)C(O)O)sc(C)c1-c1ccc(Br)cc1 1865959499 VTTBBUOASAEMNI-LBPRGKRZSA-N 457.346 2.629 10 10 JFCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 2297345472 ZNRJNADQSDLDOH-UHFFFAOYSA-N 457.537 2.724 10 10 JFCE N=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352610 GGTDOCOMBAGZTJ-UHFFFAOYSA-N 452.452 2.764 10 10 JFCE O=C(CN1C(=O)SC(=Cc2ccc(O)c(O)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 2297560443 HLMUAIBQVBXKOE-UHFFFAOYSA-N 455.492 2.609 10 10 JFCE COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 32975788 KPGZQDRZZZDKAI-SFTDATJTSA-N 485.606 2.915 10 10 JFCE CC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586692676 JYVQQWRPSCHQJW-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864009277 DGYTXZNDABTDDV-OAQYLSRUSA-N 474.521 2.900 10 10 JFCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012549 CXMVHBKJSNVWOU-OAQYLSRUSA-N 478.549 2.752 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022530 NYNSWORDCNLDQD-AWEZNQCLSA-N 461.400 2.528 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](C)O)ncnc4n3Cc3ccco3)CC2)cc1 1875233629 KUQOUZUIHSOOIU-SFHVURJKSA-N 490.564 2.836 10 10 JFCE CCOCCCN1C(=O)C(=Cc2c(NCCOC)nc3ccc(C)cn3c2=O)SC1=S 2040498235 GBBBZRUCCCYFII-UHFFFAOYSA-N 462.597 2.689 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953496 PFNJNXNKYHTFOP-BBWFWOEESA-N 479.574 2.811 10 10 JFCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 2294229466 WZWHHSADKULTIG-LBPRGKRZSA-N 458.467 2.908 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)O)C2=O)cc1 2297362255 QXVKCSAOYFBFKT-UHFFFAOYSA-N 475.251 2.588 10 10 JFCE CN1CCN(C(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)CC1 2297554601 JXLNILKAXGFVFB-UHFFFAOYSA-N 454.415 2.814 10 10 JFCE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314414106 PVERWGPJCRJUMW-CQSZACIVSA-N 492.648 2.603 10 10 JFCE COc1ccccc1C=C1SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 2314936515 YZPMPQHUNGXRGY-UHFFFAOYSA-N 472.500 2.932 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1 96459995 QNJXDUAUJVYKFH-XTZGGVIGSA-N 498.542 2.926 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)NCc3ccc(Cl)cc3)CC2)cc1 585200751 OLRVJUVWXYGLFZ-UHFFFAOYSA-N 481.018 2.690 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)C1 1690779463 CNODCSDJLGXJSP-HXUWFJFHSA-N 490.612 2.653 10 10 JFCE O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016203 CIFNOCMBGUAXSN-IBGZPJMESA-N 497.463 2.640 10 10 JFCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 34794076 MQULMYFHPSAFAM-VKAVYKQESA-N 465.443 2.824 10 10 JFCE COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)c1 108871088 FAKOQTYLYFBMQV-NVNXTCNLSA-N 461.473 2.806 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(nc3O)CC(C)(C)CC4=O)cc2)CC1 1625193492 WUJNMWVUNQLCLF-UHFFFAOYSA-N 450.539 2.541 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 1858095244 KKTHGMXUMOFATN-NRFANRHFSA-N 473.595 2.514 10 10 JFCE COc1ccc(CCC(=O)N2CC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858386887 AUPOKWLCIHRKKN-OAQYLSRUSA-N 451.567 2.834 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008150 DOTMTZJEZWHPJG-AVRDEDQJSA-N 476.533 2.890 10 10 JFCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010327 KNJKVBNJOUTNHN-LJQANCHMSA-N 484.940 2.693 10 10 JFCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015442 RHVYZFSZRZWXLH-INIZCTEOSA-N 497.518 2.783 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030792 RERZNDJCJVMDOU-FQEVSTJZSA-N 461.522 2.948 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 1872629688 JNGORSAXIRSZDG-UHFFFAOYSA-N 499.955 2.949 10 10 JFCE COc1ccc(CCN2C(=O)C(=Cc3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 2297460210 LOOPAVIMYKVTJB-UHFFFAOYSA-N 496.614 2.860 10 10 JFCE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2c(C)nn(C)c2C)c(=O)[nH]c1=O 14625213 SHERMKVHQFWAHN-OUKQBFOZSA-N 450.543 2.516 10 10 JFCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 210453150 DQBAXNGLWGBIED-YVLHZVERSA-N 474.516 2.713 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)CC1 1359374440 CLUQMIBPBTZUAN-UHFFFAOYSA-N 477.613 2.936 10 10 JFCE COCCOCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(C)cc1 1869970438 SEIMHEFJVYIUOX-UHFFFAOYSA-N 480.569 2.512 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc4nc[nH]c4c3)CC2)cc1 1873534875 ZGOAKRRWMDHIIQ-UHFFFAOYSA-N 453.506 2.992 10 10 JFCE O=C1C(=Cc2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053498532 ZHYDIPJMHPIXIQ-UHFFFAOYSA-N 466.588 2.933 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2297302247 GPXLEJYNCOVYOC-UHFFFAOYSA-N 489.278 2.676 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)cc1 2314932758 PLOLQTUNTVMYRN-UHFFFAOYSA-N 478.573 2.943 10 10 JFCE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 16909621 KOCINMOCXFZLDB-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 16909896 UPGUWXUZVCSCCP-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)C(C)C 35963736 CVUPYSIUCJUCFX-QFIPXVFZSA-N 470.570 2.851 10 10 JFCE N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103101177 PQLVJDZPOKPQJK-FNSVQNJISA-N 493.501 2.513 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cccc(Cl)c4)C3)CC2)cc1 1615105953 OICQQHSIDKJMIR-NOZRDPDXSA-N 477.001 2.557 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862115071 JECGJZYHHURUBE-QHCPKHFHSA-N 485.606 2.821 10 10 JFCE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136243138 CVXFSSFIDDPHKS-ZBFHGGJFSA-N 467.563 2.811 10 10 JFCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)C1 2314400699 QPIXWGPNRNTOSS-KBPBESRZSA-N 472.592 2.853 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCC(=O)O 2314932130 KVPMUVLYLNNQIN-UHFFFAOYSA-N 474.516 2.713 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(OC)cc3OC)CC2)cc1 2330485490 PXACPFRSTQLTNS-SFHVURJKSA-N 453.539 2.579 10 10 JFCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)cc1 6173968 GCUVXBUQPQTZIX-ZHZULCJRSA-N 467.547 2.762 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OC3CCCC3)c3ccccc32)SC1=S 1860826545 GYNIWYOQGAXVQQ-ZCXUNETKSA-N 460.533 2.565 10 10 JFCE CCOc1ccccc1C(=O)N1CSC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862054215 LZAFSZNSZGTFTI-NRFANRHFSA-N 455.580 2.958 10 10 JFCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)O)C2=O)c1 2313556727 JRDDUSCLWVLIKV-UHFFFAOYSA-N 454.435 2.614 10 10 JFCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O)C(=O)O 2314930507 FHMYQKZMYSYVAD-LLVKDONJSA-N 473.488 2.993 10 10 JFCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)c(O)c1Br 2381142020 HVXSZTCIIYGBPS-KBPBESRZSA-N 463.394 2.585 10 10 JFCE Cn1c(=O)c2c(-c3cccc(Br)c3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3 35373218 HDDXTMLKBNWKRV-NRFANRHFSA-N 498.333 2.999 10 10 JFCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152287 QTIQEAAVYASLAT-QINSGFPZSA-N 451.526 2.947 10 10 JFCE CC(=O)N1CCC(Cn2c(N(C)Cc3ccccc3O)nnc2[C@]2(OC(C)C)CCOC2)CC1 1359367789 UKJOMOGXNNMMRX-VWLOTQADSA-N 471.602 2.919 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 1634434390 BXLYBJTYVAQWGR-KRWDZBQOSA-N 458.584 2.732 10 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KICJJAWVDGVLAF-DDRARERESA-N 488.635 2.559 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254758975 KCSDFJCFPNLNDJ-HSZRJFAPSA-N 493.585 2.579 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)cc2)CC1 1154271593 SNBBXYRBPSCSBN-JOCHJYFZSA-N 453.564 2.693 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2 1864010549 NIZMANCBNCMGDC-HXUWFJFHSA-N 492.532 2.581 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011813 YWEGUBAKGQCVOG-FATZIPQQSA-N 486.528 2.937 10 10 JFCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865035017 JHUSLZROMAWUJN-HXUWFJFHSA-N 498.967 2.704 10 10 JFCE COCCn1c(C(=O)NCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873588275 SJBYPXCGDAPXTN-UHFFFAOYSA-N 466.586 2.799 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 2296226463 UWHVLFZQCZKZOT-KRWDZBQOSA-N 492.557 2.660 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)ccc1O 2314831227 GGJQYFVXDLRXGM-UHFFFAOYSA-N 452.554 2.753 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 2314934130 YEJLKRNZNBUKBW-UHFFFAOYSA-N 462.480 2.844 10 10 JFCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1508233753 RQSUVESCPNXGLY-LPHOPBHVSA-N 463.677 2.604 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cc(C)ccc4C)C3)CC2)cc1 1858399191 YURMBKKYPSQOGF-FQEVSTJZSA-N 457.596 2.671 10 10 JFCE CCCCOC(=O)[C@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827067 QJAIBOAKVHVDSA-ICDILTBESA-N 462.549 2.811 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864010631 PFPLNIJVYDCFFR-FQEVSTJZSA-N 478.505 2.524 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2cc(O)nc3ccccc23)C1=O 2297497722 YMFCQTZOGDGIRL-UHFFFAOYSA-N 481.511 2.950 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(OC)cc3OC)CC2)cc1 2330502657 FEQASLDLKRTXQM-UHFFFAOYSA-N 467.566 2.969 10 10 JFCE COCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2342974 UHNYFHIRQWLYLT-DTQAZKPQSA-N 476.649 2.794 10 10 JFCE O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 23042571 RDDHHPZFKLZSHJ-HZGBGQKMSA-N 496.618 2.773 10 10 JFCE CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 35537361 LVGCXNXYLQSOOW-UHFFFAOYSA-N 488.386 2.508 10 10 JFCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011429 HNSMSXNZRUYFNK-NRFANRHFSA-N 497.983 2.677 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864014476 VXFPYPPHVPCHGJ-FQEVSTJZSA-N 471.602 2.665 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864022014 IOHZFTMHWVZCPR-AWEZNQCLSA-N 470.448 2.570 10 10 JFCE COC(=O)c1ccc(N2N=C(C)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 27546697 YYJDLTYMXPZLEI-STZFKDTASA-N 464.503 2.717 10 10 JFCE CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 33308746 UHTWBXYTPGCXMH-UHFFFAOYSA-N 455.584 2.662 10 10 JFCE COc1cccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1O 247933914 UDKLKMMEYPLXBZ-RRHHDSEZSA-N 472.497 2.827 10 10 JFCE CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21 1561292879 UHQNVOZTFPZERX-UHFFFAOYSA-N 457.596 2.673 10 10 JFCE COc1cc(/C=C2/SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858590564 YDKCGSBBXPXNMJ-BFERYNQYSA-N 472.544 2.804 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCC(OC)OC)sc(C)c1-c1ccc(OCC)cc1 1860762957 XTOWWACPCULAGU-UHFFFAOYSA-N 464.540 2.973 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 1861878464 HKFWBSACVPECDX-UHFFFAOYSA-N 492.620 2.791 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4cccs4)n(C)n3)CC2)cc1 1869969625 RUTKNVLPXIMLEB-UHFFFAOYSA-N 454.556 2.813 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nn(C)c(NC(=O)Cc4ccccc4)c3F)CC2)cc1 1871335832 CVKACCJIQNYSHN-UHFFFAOYSA-N 451.502 2.711 10 10 JFCE CCOC(=O)COc1ccc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc1OC 2297297816 LFXJVZPBOLIAEI-UHFFFAOYSA-N 475.295 2.861 10 10 JFCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314542246 TVHPWVKHNOZJEU-CYBMUJFWSA-N 461.477 2.775 10 10 JFCE O=C1CN(c2ccc(CNC(=O)c3cnn(-c4ccc(Br)cc4)c3)cc2)CCN1 107867885 ZWTAUWRQKGZWCO-UHFFFAOYSA-N 454.328 2.501 10 10 JFCE O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cc2)CCN1 247504470 RAJHRYOQMHZKDG-QTJGBDASSA-N 460.578 2.713 10 10 JFCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)cc1 1772725346 YJSHNOMQQYUMSV-TVZXLZGTSA-N 477.586 2.705 10 10 JFCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1 1858587061 QWNFUMGOZPZXGM-CAPFRKAQSA-N 477.652 2.857 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864010759 WDESELFMTGDQJA-OAQYLSRUSA-N 498.580 2.755 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865027759 KPKYCFWOAWLFFG-OAQYLSRUSA-N 495.967 2.714 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865030756 QFXPZIWBVBXLEN-AVYPCKFXSA-N 470.570 2.987 10 10 JFCE COc1ccc(C=C2SC(=S)N(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1 2297512133 LLIASOYHAPOCAL-OAHLLOKOSA-N 453.545 2.981 10 10 JFCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(C)n1-c1ccccc1 62694435 NZZHBMXIJMMONW-UHFFFAOYSA-N 492.601 2.778 10 10 JFCE CCN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 102429419 CTLPQMOYDRMZEJ-YKBBIGDRSA-N 452.623 2.704 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 210722763 STIJQFGLGKROKR-RVDMUPIBSA-N 451.551 2.547 10 10 JFCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858611791 KZHJBYGGKLRKNF-UHFFFAOYSA-N 451.416 2.881 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868900794 DIOJMPNLGSKSTF-SFHVURJKSA-N 479.606 3.000 10 10 JFCE COc1ccccc1N1C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(C)=O)C(=O)NC1=S 2297638952 LEQRXCGNCFCYJS-UHFFFAOYSA-N 462.531 2.686 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4onc(C(=O)N5CCCC5)c4c3)CC2)cc1 21364225 YZDQXRGQCKXDAD-UHFFFAOYSA-N 470.551 2.583 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3c(=O)c(=O)n(Cc4ccccc4)c4ccccc43)CC2)cc1 21944304 TYZXTFGCMBNWHB-UHFFFAOYSA-N 484.556 2.569 10 10 JFCE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O 34240500 UKVKNAFHWIFOFT-OUKQBFOZSA-N 461.322 2.713 10 10 JFCE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 210422538 PRFJMOYYZPONJH-VBKFSLOCSA-N 464.546 2.635 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 248259605 VUFGWMIIVSRNEZ-LFYAFONDSA-N 491.544 2.994 10 10 JFCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1705930145 GNYJGEHLGGORAJ-FQEVSTJZSA-N 496.637 2.655 10 10 JFCE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868991271 RYLSRVNPQRTBGJ-NRFANRHFSA-N 476.581 2.781 10 10 JFCE CCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040499414 XYMSIQCONOLXDP-UHFFFAOYSA-N 457.625 2.756 10 10 JFCE CC(C)(C)OC(=O)NCC1(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CC1 2200972548 SQUOITJPSZHTBI-INIZCTEOSA-N 479.574 2.955 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 96460357 QDJCKKKOVTYGGN-VOPKFQMRSA-N 459.465 2.866 10 10 JFCE Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5C=CSC5=NC4=O)cc3)nc2s1 104709374 AVFKNFDSGLYXRQ-RRESGWQXSA-N 450.505 2.815 10 10 JFCE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CCOC)n2)C1 1867953392 BLTQPKZSZISILF-HXUWFJFHSA-N 483.613 2.780 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CCCO4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969578 FMEISDLOIOSCHL-QFIPXVFZSA-N 478.553 2.729 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871728301 PDKGANQDVHYQPO-UHFFFAOYSA-N 485.592 2.742 10 10 JFCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080873589 MRXDKKGODQFENI-ZFWWWQNUSA-N 453.536 2.563 10 10 JFCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OS(C)(=O)=O 2297341096 URIARALWHXFPNV-UHFFFAOYSA-N 454.555 2.752 10 10 JFCE COC(=O)CN1C(=O)C(=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2314717437 UXINXEGIBLQDNO-UHFFFAOYSA-N 470.528 2.999 10 10 JFCE CN(C)c1ccc(CNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 65319172 XHNYAQBEGGZSTA-UHFFFAOYSA-N 469.567 2.907 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCC3(c4ccc(OC)cc4)CCOCC3)CC2)cc1 725863714 DLXAVFFSJQOUSF-UHFFFAOYSA-N 482.625 2.873 10 10 JFCE COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 726626723 KKOWHEPDVRUGGR-YVLHZVERSA-N 450.563 2.753 10 10 JFCE COc1ccc(N2CCN(c3ccc(NC(=O)[C@H]4CCCN4C(=O)C(F)(F)F)cn3)CC2)cc1 1858430360 CTHVGUFEBGHRRG-LJQANCHMSA-N 477.487 2.909 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccnc(Cl)c3)cc2)cc1 1859007179 LYDRDUBUDDOHJY-UHFFFAOYSA-N 474.926 2.767 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2 1865030647 NYNLGKBATSYKAD-HXUWFJFHSA-N 486.569 2.763 10 10 JFCE CCN(CC)CCCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(O)cc1=O 1870120331 WJMUFRTUKMMLFH-UHFFFAOYSA-N 456.587 2.647 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cn(-c4cc(NC(C)=O)ccc4C)c(=O)cc3O)CC2)cc1 1870129988 FNWJWILZIZMQQV-UHFFFAOYSA-N 476.533 2.781 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccccc3Cl)CC2)cc1 1872630793 ARMNMSARPWXSHH-UHFFFAOYSA-N 485.928 2.640 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 2297104361 MUPSJOGBXWURCL-UHFFFAOYSA-N 456.524 2.604 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313559005 OVRHFXMTMAKKRF-UHFFFAOYSA-N 493.310 2.971 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1 2314832681 LMMKNJKMWVTYGE-INIZCTEOSA-N 468.512 2.927 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1 2314832682 LMMKNJKMWVTYGE-MRXNPFEDSA-N 468.512 2.927 10 10 JFCE CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)s1 9086887 BGTAAGMXQXGELF-MDWZMJQESA-N 450.567 2.958 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc1OC 210728091 JLODXQAYTJROGJ-FOWTUZBSSA-N 452.554 2.666 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccc(C)cc3)CC2)cc1 1862277029 XAPZLWJJMCIACH-QFIPXVFZSA-N 455.580 2.633 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1865028374 SXTWDEHNGCXMHP-HSZRJFAPSA-N 492.576 2.803 10 10 JFCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865033235 VEXBRKLLPOEIEZ-LJQANCHMSA-N 484.940 2.645 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCOC)[C@H](C)C2)n1 1869111296 AHRKPTSIACJPLH-SZPZYZBQSA-N 498.672 2.546 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871685395 IEJTZTKJHQEZKY-UHFFFAOYSA-N 499.566 2.647 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc1-c1ccc2c(c1)NC(=O)CO2 11857878 WASZCFOGVVCWLY-UHFFFAOYSA-N 458.477 2.685 10 10 JFCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1 102508413 GAATXZMDLJNYBM-KYALDGGBSA-N 491.588 2.677 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1 743298643 CBTKCHVULFVRFG-UHFFFAOYSA-N 451.571 2.761 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2)CC1 1556199441 LSKSJCBMLCEPFT-UHFFFAOYSA-N 454.615 2.837 10 10 JFCE O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccc(O)c(O)c1 1860166419 ANHPAOOAQZKUIX-XMMPIXPASA-N 457.486 2.962 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C(F)(F)F)CC2)cc1 1861965533 SVGBXTHMYOYHMY-LJQANCHMSA-N 453.436 2.773 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012932 MNASOTCNDAPKOE-NRFANRHFSA-N 496.539 2.627 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865035695 ZISKZSNMIMYIAW-UZLBHIALSA-N 470.570 2.725 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(NC(C)=O)c4)[nH]3)CC2)cc1 1871530623 MMNAQAUHCIIHDI-UHFFFAOYSA-N 490.612 2.821 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCN(C)C)C2=O)cc1 1873167781 XHMYFMRJLMTNCT-UHFFFAOYSA-N 451.615 2.667 10 10 JFCE CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 2296930334 PPYQWPZISXUSET-UHFFFAOYSA-N 490.257 2.828 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNC3=CC=C[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]34)C2=O)c1 2297511341 DCXLJAINQRQEKK-GHTZIAJQSA-N 453.454 2.817 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314486624 DSIDQDFXRQWHED-UHFFFAOYSA-N 488.547 2.810 10 10 JFCE Cc1cccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nnc2N2CCOCC2)c1 19283776 GMAPCZJVGILQFD-UHFFFAOYSA-N 466.611 2.887 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3cccc(OC)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009369 QDPYDGIDKZRWCV-UHFFFAOYSA-N 455.492 2.770 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)O 210453597 HTURTQMYQAUFGA-SXGWCWSVSA-N 489.487 2.613 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cc(F)c3O)cc2)CC1 1556199780 VKUFXBFOGLCGDD-UHFFFAOYSA-N 450.308 2.892 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3sccc3Br)cc2)CC1 1668581684 POUKLHVHXZQCNP-UHFFFAOYSA-N 458.403 2.658 10 10 JFCE CC[C@@H](C)OC(=O)[C@@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827209 UWMSWBXJHLFAOU-KBQZLJMJSA-N 462.549 2.810 10 10 JFCE CCC[C@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868967590 JKWZKCWXTRDIGE-IBGZPJMESA-N 452.511 2.789 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(c4ncnc5[nH]cnc45)CC3)cccc21 1874179692 LBHQDHFHCCSUPJ-UHFFFAOYSA-N 452.474 2.983 10 10 JFCE CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875221542 UZWWHWZTSKIKMS-UHFFFAOYSA-N 452.559 2.871 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2053493643 BLCGWHXFRDSNIK-UHFFFAOYSA-N 485.518 2.857 10 10 JFCE COC(=O)CN1C(=O)SC(=Cc2cc(Cl)cc(I)c2O)C1=O 2297361294 GRWWKTXPHJNDCR-UHFFFAOYSA-N 453.641 2.860 10 10 JFCE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33478242 IAFPDCIQBYBBGX-QGOAFFKASA-N 459.641 2.801 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NCCO)nc12 35402746 GCCIMGGSBBWKSP-SFQUDFHCSA-N 452.561 2.809 10 10 JFCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645404 OLKCAVPCJBLOGW-JXAWBTAJSA-N 458.634 2.731 10 10 JFCE COc1cc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210704145 SDNCECZZDKEEFX-FOWTUZBSSA-N 452.554 2.753 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862152737 HIMSGUMLRPODFR-JNKLARPZSA-N 497.592 2.978 10 10 JFCE CCOc1ccccc1OCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175781 DZVLDTMXWQPIQU-NRFANRHFSA-N 485.606 2.723 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864011876 ZJSZQZULCUWAOA-HXUWFJFHSA-N 471.602 2.717 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCC2)cc1 1865943243 JPJDNIMGUILRHX-HSZRJFAPSA-N 484.622 2.776 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 1872631585 YUDVPXKCEGQPKY-UHFFFAOYSA-N 499.955 2.949 10 10 JFCE CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872725214 XGECBPULBCHXPJ-UHFFFAOYSA-N 461.584 2.501 10 10 JFCE CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180670782 OLPTUVOXMMZVEU-UXHICEINSA-N 474.554 2.570 10 10 JFCE CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCC(=O)O)C2=O)cc1OC 35656026 BIXHAILYLBIXLZ-VBKFSLOCSA-N 452.554 2.666 10 10 JFCE COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc(I)c1OCc1ccccc1 59861302 GWCVXNWNLQWSDO-RIYZIHGNSA-N 492.269 2.970 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 1862305601 OJLFNLAUMLFEFK-JOCHJYFZSA-N 467.566 2.595 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009911 NCWQHWHHPZVJHG-HXUWFJFHSA-N 458.559 2.885 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020421 YQADDUJNCNXYFL-LJQANCHMSA-N 484.940 2.693 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869039897 MMVSBXMMGDHZAL-RUZDIDTESA-N 477.561 2.921 10 10 JFCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 2296721762 QQKZQVAXUFZTPK-OKILXGFUSA-N 472.592 2.771 10 10 JFCE O=C1C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1 2296728804 UVDVRCWPQHXQLE-OAHLLOKOSA-N 470.597 2.992 10 10 JFCE CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[nH]c2ccccc12 2297638954 LSKYETSVYXMGTK-UHFFFAOYSA-N 460.490 2.912 10 10 JFCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 2313624023 ITKUMLDFBZUZEB-UHFFFAOYSA-N 486.278 2.832 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccco3)cc2)cc1 2330935722 IRTBWDNBQGKWSG-UHFFFAOYSA-N 455.492 2.711 10 10 JFCE COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2238101 WAXSRZRRMUWAEJ-UDWIEESQSA-N 485.452 2.746 10 10 JFCE COc1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1Br 6032689 YJHZWYKSKWGGPU-OQLLNIDSSA-N 450.314 2.911 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40313880 AEOYVCGVDFNCRO-RTWAWAEBSA-N 453.004 2.835 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)cc2)CC1 1138230222 KKFUZADWZHFXHL-FSSWDIPSSA-N 456.587 2.759 10 10 JFCE C/C(=C/c1ccc(Br)o1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1528187145 VXUUSQXMTQAKOV-OWBHPGMISA-N 453.358 2.997 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861933988 SBLBTERPQPKWNU-NRFANRHFSA-N 487.622 2.913 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864021203 MYQJQOMMZBVBFK-HXUWFJFHSA-N 474.521 2.764 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1 1864022936 SCZGNZMWOSYUJL-HNNXBMFYSA-N 484.475 2.697 10 10 JFCE O=C(CN1C(=O)/C(=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Cl)c1 33604252 AFCYTWITGLHJPI-FMQUCBEESA-N 482.949 2.998 10 10 JFCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3c(C)noc3C)c3ccco3)CC2)cc1 38607127 PMVINFYCHGBBFY-HXUWFJFHSA-N 460.556 2.735 10 10 JFCE CN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 39983453 OSQMFIHRTGFTIV-CXUHLZMHSA-N 452.517 2.866 10 10 JFCE CCOc1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCC(=O)O 96475859 UYZPNOVFWMYZBT-AUWJEWJLSA-N 454.391 2.784 10 10 JFCE Cn1c(=O)c2c(nc(N/N=C/c3ccc(O)cc3)n2Cc2cccc3ccccc23)n(C)c1=O 606671912 GDNMHJLFSDFWEP-VULFUBBASA-N 454.490 2.787 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccccc4Cl)C3)CC2)cc1 1858423869 LCTBFWNGYUCOTH-QGZVFWFLSA-N 463.987 2.708 10 10 JFCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008724 QOYSZAHRPRSKFS-ODXCJYRJSA-N 450.495 2.720 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1869113624 GBNRDMOWYNXFBX-XMMPIXPASA-N 490.608 2.974 10 10 JFCE CCCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571931 LPGZFPILYUFEFM-UHFFFAOYSA-N 488.596 2.872 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)SC1=S 2326944822 ITYGMXNXZLNLTO-UHFFFAOYSA-N 482.539 2.823 10 10 JFCE COc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OCC(N)=O 11085597 XDJJVTLUHODDFS-UHFFFAOYSA-N 451.523 2.948 10 10 JFCE CCN(CC)C(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 20289280 OXVJYAJGAKUZMJ-AVRDEDQJSA-N 458.628 2.993 10 10 JFCE Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)CCC2 22797383 LVXVVVKRJIDNSJ-HSZRJFAPSA-N 455.624 2.570 10 10 JFCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCCOCCO)nc4ccccn4c3=O)SC2=S)cc1 39729283 PTCDUBDJYSCGJG-XMHGGMMESA-N 496.614 2.825 10 10 JFCE Cc1c(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c(O)nc(=O)n1C 904907663 CCONCKCJAQDUBV-FMIVXFBMSA-N 475.577 2.740 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865028668 XRUSWIIZXTVEII-HSZRJFAPSA-N 489.576 2.841 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC(C)C)cn3Cc3ccco3)CC2)cc1 1870511419 ALZUBRXZPSFKGD-UHFFFAOYSA-N 494.592 2.724 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165916 WLWKOJPARAOIAZ-UHFFFAOYSA-N 460.582 2.681 10 10 JFCE C/C=C\[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3c(c2o1)C(=O)c1c(O)ccc(O)c1C3=O 13890831 MAUMGBVGKFVQCP-FUZWKHOVSA-N 462.410 2.797 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(C(=O)CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 257628237 CZZMNZIRCAAODV-HSZRJFAPSA-N 460.644 2.858 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4cccnc4)c4ccccn34)CC2)cc1 1858224525 XYGVZNIFWRTJOH-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028531 WKYSQCIFGSVEFD-OAQYLSRUSA-N 495.967 2.714 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865030077 BVKSQSLWUQNOPR-QFIPXVFZSA-N 492.576 2.982 10 10 JFCE COc1cc(C=C2SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc(OC)c1OC 2293039493 DLQCWRBOOKFQRE-UHFFFAOYSA-N 488.587 2.939 10 10 JFCE C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c(Cl)c2)C1=O 12025323 KJVJMJCPMHWWPS-BTYIYWSLSA-N 493.029 2.751 10 10 JFCE Cc1cc(C(=O)CN2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)CC2)c(C)n1-c1ccccc1 62694286 RWUYZGXJAXFFJF-OAQYLSRUSA-N 490.526 2.974 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 743287271 GVEUZZLVPNTOSO-UHFFFAOYSA-N 451.571 2.875 10 10 JFCE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 1084585287 XJGRHFJTBXMBSE-NTCAYCPXSA-N 483.477 2.776 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3cn(-c4ccc(Br)cc4)nn3)CC2)cc1 1320274462 GTLKHXKDONBVJF-UHFFFAOYSA-N 485.386 2.590 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccc(OCCN(C)C)cc3)cc2)CC1 1634073666 BMFUXMCHGMAZDV-JYRVWZFOSA-N 450.583 2.625 10 10 JFCE COc1ccccc1CN1C(=O)N[C@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874016285 DYLISNQXAXVCMU-HXUWFJFHSA-N 483.480 2.920 10 10 JFCE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(=O)O)C3=O)c3ccccc32)cc1 2296729363 DLWYLANMFFSWAW-UHFFFAOYSA-N 497.554 2.727 10 10 JFCE CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 8813959 OGFCHRKLPOJZSA-QHCPKHFHSA-N 466.582 2.528 10 10 JFCE CN1CCN(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3nccs3)SC2=S)CC1 35519773 LLLPFVDGQHXHTE-VBKFSLOCSA-N 475.621 2.524 10 10 JFCE CCN(CC)c1ccc([C@H]2CC(c3c(O)[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 101456233 SDLNIJIOBHLZLB-JOCHJYFZSA-N 475.549 2.834 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864021633 DMTNHILXTYBRGR-OAHLLOKOSA-N 475.427 2.739 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1O 1865528790 SLHLZSJCFMBBQS-HSZRJFAPSA-N 489.576 2.969 10 10 JFCE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865887876 VNZLXGVBCRHRPL-QFIPXVFZSA-N 475.549 2.638 10 10 JFCE COc1cc2ncn(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2cc1OC 1874179437 DXEDJSOZXLGDHM-UHFFFAOYSA-N 469.453 2.828 10 10 JFCE COc1ccc(N2CCN(C(=O)CCn3c(N4CCCC4)nc4ccsc4c3=O)CC2)cc1 33308841 DOEFEJUQBJAQJP-UHFFFAOYSA-N 467.595 2.806 10 10 JFCE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413097 GEMJCQFDARWXTL-IBGZPJMESA-N 484.354 2.745 10 10 JFCE CCCCCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826141 AZGXIKLWFRXHSC-ZCXUNETKSA-N 462.549 2.813 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 1862305602 OJLFNLAUMLFEFK-QFIPXVFZSA-N 467.566 2.595 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864013950 JUPARZVLPFGJKS-FQEVSTJZSA-N 480.569 2.754 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026958 UMESAPNZARHCNI-HSZRJFAPSA-N 489.576 2.974 10 10 JFCE CCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2296697897 XUGGENRDBKMRDU-UHFFFAOYSA-N 454.581 2.923 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1 20207964 AHQCEYKQPVZDEK-XTZGGVIGSA-N 498.542 2.926 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 33622601 NHFSEIQMDCYEDV-OBGWFSINSA-N 469.636 2.980 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cccc(OC)c3)c3ccco3)CC2)cc1 38619638 PCDGPLOMNKBJNH-QHCPKHFHSA-N 478.549 2.915 10 10 JFCE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413123 RWRMWMSQDOSPMW-IBGZPJMESA-N 484.354 2.745 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2CC1 1208586321 FQDISCVMXAGYAU-SFHVURJKSA-N 457.596 2.510 10 10 JFCE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)CC1 1722798897 NVLBNXSTIAEVRU-UHFFFAOYSA-N 453.635 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccco4)c4ccccn34)CC2)cc1 1858223799 FWNZUVZVXSLCHP-UHFFFAOYSA-N 459.506 2.828 10 10 JFCE CCCCc1ccc(N2C[C@@H](C(=O)NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 1862169123 QBDZEHXBEKIFOA-QFIPXVFZSA-N 492.620 2.856 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4nccs4)cc3)CC2)cc1 1872725156 UOAIWXXHABFWFD-UHFFFAOYSA-N 488.591 2.680 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2294095688 YPHXOSLLJOECIP-UHFFFAOYSA-N 477.242 2.806 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(OCC)c3)C2=O)cc1 2297363939 AGLXRXHIUKBHBW-UHFFFAOYSA-N 454.435 2.614 10 10 JFCE O=C1/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 33344824 FIGDCTQPYAAZID-SAPNQHFASA-N 452.561 2.543 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066671 DFXBQTSFHNXDTQ-MFOYZWKCSA-N 486.550 2.993 10 10 JFCE COC(=O)c1ccccc1N1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=S 210227726 SBCDVCCNTVOGRL-WUKNDPDISA-N 454.485 2.680 10 10 JFCE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(N)=NC3=O)cc2OC)cc1 210901627 MHFSRQUBBKKKIN-WOJGMQOQSA-N 455.492 2.818 10 10 JFCE CC(=O)NCCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586622951 GPFYCAKASYBURP-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCN2C(=O)CSC2=O)sc(C)c1-c1ccc(F)cc1 1860758978 PSLMNZCOVLXDMX-UHFFFAOYSA-N 493.538 2.789 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865030204 FRFAJLOIZYMXNW-FQEVSTJZSA-N 469.586 2.516 10 10 JFCE CCC[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921702 GHSPEWYANXJGBT-KKSFZXQISA-N 496.585 2.900 10 10 JFCE CC(C)C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2nccnc2C1=O 1874179328 YIPZVFVVZVUADE-SFHVURJKSA-N 468.469 2.901 10 10 JFCE COCCCN1C(=O)C(=CN(CCN2CCOCC2)Cc2ccccc2F)SC1=S 2296595352 ZBFQPZJDGYLFEP-UHFFFAOYSA-N 453.605 2.698 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864020543 DHYBKRRVAUGNKE-HXUWFJFHSA-N 463.538 2.919 10 10 JFCE CN(C)c1ccc([C@H](NC(=O)CCCN2C(=O)Cc3ccccc3C2=O)c2nccn2C)cc1 1866216967 OUQGZBLVHJNLNI-DEOSSOPVSA-N 459.550 2.697 10 10 JFCE COc1ccccc1-n1nc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)cc1C 1866285025 PDRLGPATABQFBN-QHCPKHFHSA-N 472.549 2.868 10 10 JFCE O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868129139 ACXBGXHAYWQDAB-UHFFFAOYSA-N 456.454 2.531 10 10 JFCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC)C(=O)O 2314931573 GZWLOQGDMCXZDX-CQSZACIVSA-N 473.532 2.878 10 10 JFCE O=C(O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1O 95871263 AVQNYAVVZFBCKZ-VHEBQXMUSA-N 484.420 2.564 10 10 JFCE Cc1occc1C(=O)NC1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 727436583 FIAJWDBVACHWIR-ROUUACIJSA-N 486.588 2.851 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4c(C)cc(OC)cc4C)C3)CC2)cc1 1858413924 WLMBWFONHBJJJW-HXUWFJFHSA-N 487.622 2.680 10 10 JFCE CCC[C@H](NC(=O)c1cc(C)ccc1S(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861906461 ZUVYZAXHINLXCF-QFIPXVFZSA-N 487.622 2.654 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013105 QDWIVBSQZGEKJP-SFHVURJKSA-N 454.552 2.899 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(OC)c(F)c4)cn3CCO)CC2)cc1 1870384468 LORAFIHVCURNQU-UHFFFAOYSA-N 497.567 2.898 10 10 JFCE CCCCN(CCO)c1nc(=Nc2cc(Cl)ccc2O)nc(N(CCO)CCCC)[nH]1 1871732600 OSOJXCCZLIGYAN-UHFFFAOYSA-N 452.987 2.594 10 10 JFCE O=C1C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296703956 AVCQAKXEFWGMAJ-UHFFFAOYSA-N 454.533 2.526 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCC(=O)O 2314934149 YJQIWQGECWONJQ-UHFFFAOYSA-N 462.480 2.844 10 10 JFCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 16906498 ALBYGFRGWZSBKC-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE CCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592468 RBAKLYDFJPNASI-PXLXIMEGSA-N 473.595 2.679 10 10 JFCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724328 LRDMFGRVTXOHAW-KWZJRMENSA-N 492.648 2.603 10 10 JFCE CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 1084615430 VZZJVLQIYQOPRZ-PTNGSMBKSA-N 472.494 2.998 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(CN4CCC(CO)CC4)cc3)c2)CC1 1466926723 VVTCLEDAZOEWEF-UHFFFAOYSA-N 450.583 2.812 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760598687 JTFVBBVPSSGNQC-UHFFFAOYSA-N 451.550 2.961 10 10 JFCE CC[C@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862124366 QCJODTPQZUCMNX-VWLOTQADSA-N 455.555 2.960 10 10 JFCE COc1ccc(CCN2C(=O)C(=Cc3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1 2040499298 WXPSCMMNLCAKKC-UHFFFAOYSA-N 482.587 2.551 10 10 JFCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)ccc21 11857976 PFIKPPZZQPUWPN-UHFFFAOYSA-N 470.532 2.851 10 10 JFCE COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 12163943 XVTWJRCHONZCFO-VOTSOKGWSA-N 450.583 2.730 10 10 JFCE O=C1/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803783 HQBGSJWSOZFKLN-WJDWOHSUSA-N 456.524 2.639 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 1076136262 JDFJRVPFATXMEC-PPPPCMEOSA-N 481.936 2.657 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1705996437 UMNUYLPKHIMYPY-OAHLLOKOSA-N 471.606 2.944 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)CC2)cc1 1858417789 JJHOILCGEKQNIH-KRWDZBQOSA-N 494.013 2.717 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccn1C 1865347190 INSHOIQEOMFLLH-JOCHJYFZSA-N 476.581 2.602 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868962118 QWULMHUNAVTXNH-QGZVFWFLSA-N 464.522 2.826 10 10 JFCE CC(C)(C)OC(=O)NCCN(CCO)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2044717729 GLQPPXFPXJUDJC-UHFFFAOYSA-N 450.580 2.885 10 10 JFCE CSCC[C@H](NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C 2296147174 INDSEMYXMYTXGY-HNNXBMFYSA-N 453.948 2.860 10 10 JFCE COCCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 103555622 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2297345928 OISGWFWCOXMWGZ-UHFFFAOYSA-N 457.537 2.724 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297352764 UISMOJZPHQUBSU-UHFFFAOYSA-N 497.558 2.885 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 2313631587 SDLYEDIWDOIXIB-FQEVSTJZSA-N 486.528 2.599 10 10 JFCE CN(CCO)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 102413192 FLUGFJQFMMQVOD-OBGWFSINSA-N 466.588 2.567 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1760586547 MMCJQWXHMDWJKS-OAQYLSRUSA-N 482.608 2.698 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCN2C(=O)CSC2=O)sc(C)c1-c1ccccc1 1860759442 AYJUYAZIWQVDSN-UHFFFAOYSA-N 475.548 2.650 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1861886497 LPMLQXSHYARFGR-UHFFFAOYSA-N 467.957 2.921 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4ccc(Cl)cc4)c3)CC2)cc1 1862011245 IUZDTRDCLMREKP-UHFFFAOYSA-N 494.979 2.637 10 10 JFCE CCCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548587 BKBKCYTUTLSDJZ-UHFFFAOYSA-N 466.586 2.631 10 10 JFCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)C[C@H](O)C3)ccc(N)c2C1 2106877592 RXZJFVWCQIUECF-MRXNPFEDSA-N 462.591 2.980 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2200954162 XVUBOGFZLUVKMO-SJORKVTESA-N 479.574 2.907 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)n(C)c3C)CC2)cc1 64922386 GDGINTALKVLBNK-UHFFFAOYSA-N 474.627 2.725 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N(Cc3ccc(O)c(OC)c3)C3CC3)CC2)cc1 727601567 CCDWOMYWGGPSBI-UHFFFAOYSA-N 454.571 2.906 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1862000619 DMYLYTOGNXPWOI-OFVILXPXSA-N 482.600 2.552 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864009482 IGGFSYBNHSSZCC-SFUJKTHXSA-N 480.565 2.517 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012730 HXVWMIUGMTVIMF-JOCHJYFZSA-N 492.576 2.797 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)C(=O)N=C2S1 2297346073 AQMZDUVWONTUQG-UHFFFAOYSA-N 468.516 2.917 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)O)SC2=S)cc1 2314930281 AGZFNZCKZUSFGE-CYBMUJFWSA-N 478.573 2.942 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 248070408 SEXNWEVKWUTKEN-ZIUXVXOHSA-N 480.521 2.980 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3cccc(C)c3C)CC2)cc1 1862193288 UQRSDIZXQKEWCC-JOCHJYFZSA-N 469.607 2.941 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864014664 ZYFYTZWDDHVCEF-OXQOHEQNSA-N 470.570 2.893 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017117 FVSFITIZHNDMPX-SFHVURJKSA-N 450.495 2.821 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873170158 PPGGCXOVNNFAIA-UHFFFAOYSA-N 480.609 2.521 10 10 JFCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)c1 95927351 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CC(C)N1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988060 SKYHHVQHGUZWTK-SSZFMOIBSA-N 472.592 2.647 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 38619728 JHJGNKLWDYAJCK-JOCHJYFZSA-N 493.520 2.815 10 10 JFCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(I)c1O 59861300 SEQYLJGKIQIRIY-ZROIWOOFSA-N 492.269 2.710 10 10 JFCE CCCn1cccc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862020225 WSSKVOFGPOISID-VWLOTQADSA-N 454.571 2.514 10 10 JFCE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864022565 OSBHWWCRPNZIAT-OAHLLOKOSA-N 475.427 2.917 10 10 JFCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035895 BFYXAZRWDUOGQN-QHCPKHFHSA-N 498.539 2.897 10 10 JFCE COc1cccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)c1 2314936676 ZTNWZKZIGIIAJU-UHFFFAOYSA-N 472.500 2.932 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865030147 DLSLVNHMMDWLSX-IERDGZPVSA-N 484.597 2.828 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869060634 YQICQUUJMYYUEA-HNNXBMFYSA-N 475.471 2.829 10 10 JFCE O=C1C(=Cc2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296698692 FIGDCTQPYAAZID-UHFFFAOYSA-N 452.561 2.543 10 10 JFCE O=C(CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 31837159 MTJXYSOAOZJUML-UHFFFAOYSA-N 457.398 2.734 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 32961234 QDJCKKKOVTYGGN-CXHQGSNTSA-N 459.465 2.866 10 10 JFCE Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3cccc4nsnc34)cc21 102512946 RJLUOQYYPUEEKI-UHFFFAOYSA-N 495.542 2.835 10 10 JFCE CC(C)CCN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 102616869 LAMMDDVKSBNLQX-PHODEOQFSA-N 450.607 2.838 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S[C@H]4CCOC4=O)cc3)cc2)CC1 1154271597 SNBBXYRBPSCSBN-QFIPXVFZSA-N 453.564 2.693 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3csnc3-c3ccccc3)cc2)CC1 1189191392 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CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 2236198729 BFRHEQXZPDAYCG-UHFFFAOYSA-N 498.646 2.888 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccccc3Cl)CC2)cc1 11796493 NNXKJEVELJKNSR-UHFFFAOYSA-N 451.976 2.621 10 10 JFCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 16907917 VCASYUNAVCZIQM-MHWRWJLKSA-N 473.488 2.995 10 10 JFCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(S(N)(=O)=O)cc1 20286298 KTCJKHFHEREHTE-CPNJWEJPSA-N 455.565 2.773 10 10 JFCE COc1ccc(N2CCN(C(=O)COC(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc1 101355263 JZPCLJKKJDYOLD-YHYXMXQVSA-N 470.522 2.626 10 10 JFCE CCOc1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1862050571 GYFXYRFANQJNCT-JOCHJYFZSA-N 455.580 2.958 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019475 ZQZIJXUTFAYQSA-OAQYLSRUSA-N 493.564 2.867 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C(C)C)N3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865846665 JJQQBKYBWFODBB-QFIPXVFZSA-N 451.523 2.673 10 10 JFCE CN(C)c1ccc([C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2nccn2C)cc1 1866020828 QJROMPIZMULBNG-QFIPXVFZSA-N 464.526 2.750 10 10 JFCE CC(=O)Nc1ccc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866438303 AXXCPNYWUAZKKS-JOCHJYFZSA-N 458.522 2.805 10 10 JFCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682749 HBMCEJPSDRGMEL-UHFFFAOYSA-N 499.566 2.911 10 10 JFCE CN(C)c1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 15768773 WWOAXBGORCPWEQ-UHFFFAOYSA-N 455.580 2.532 10 10 JFCE COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526313365 QFIJXFFWFXEKML-QFIPXVFZSA-N 498.513 2.820 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864011120 ZOMZIORAFDWHDE-JOCHJYFZSA-N 488.548 2.943 10 10 JFCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018924 DOPQEAVLTMABDO-JOCHJYFZSA-N 492.576 2.715 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2314836967 MKRKDUSBXFMSCZ-LBPRGKRZSA-N 477.589 2.571 10 10 JFCE Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1 31421488 HBQHCYHNGMDRLU-UHFFFAOYSA-N 467.529 2.560 10 10 JFCE O=C(Nc1cccc(N2CCOCC2)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726725575 AUHHHFITUGGSFF-UHFFFAOYSA-N 474.508 2.848 10 10 JFCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011282 FPLTZAWRYKBWTH-NRFANRHFSA-N 497.983 2.677 10 10 JFCE COC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C)C3=O)c3ccccc32)cc1 2296710592 AKYXYOCVSVGCHN-UHFFFAOYSA-N 467.528 2.660 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 2313681942 QZZFPLIYDIECOH-UHFFFAOYSA-N 452.423 2.653 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(I)c1O 3299758 BNEYQUNMBRMYFK-POHAHGRESA-N 465.290 2.681 10 10 JFCE Nc1c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc2c1C(=O)c1ccccc1C2=O 9580089 DQSJLCCGQLDLLE-UHFFFAOYSA-N 485.496 2.676 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1722750409 PQOLEUATYFNLOK-UHFFFAOYSA-N 465.577 2.964 10 10 JFCE CCN(CC)CCNC(=O)c1ccc(/N=N/N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1860481497 ZTTHYFQGRLQCSY-OCEACIFDSA-N 454.535 2.882 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCOC(C)C)CC2)cc1 1870360100 VSMIGBAQJBZTTE-UHFFFAOYSA-N 473.614 2.755 10 10 JFCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CNCCN2CCOCC2)c2ccccc12 2296244661 AQGKWSHRAOAESH-XMMPIXPASA-N 487.604 2.730 10 10 JFCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1 2297345861 JFJQMMCZLDOJDX-UHFFFAOYSA-N 472.504 2.745 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)CCC(=O)N3CCOc4ccccc43)CC2)cc1 9251944 MRMXGMIDYIFMHJ-UHFFFAOYSA-N 466.582 2.529 10 10 JFCE CCCCn1c(N)c(N(C)C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)c(=O)[nH]c1=O 14655369 LESLOSQXSHZGKW-OUKQBFOZSA-N 464.570 2.765 10 10 JFCE Cc1c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33383572 OUGVXNXYWBWTAR-LZNAANCOSA-N 458.609 2.936 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 44441237 QZJYMMJXCIYJPG-UHFFFAOYSA-N 452.964 2.622 10 10 JFCE CC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1 101764175 ZUASPFHBRIJJDR-LJQANCHMSA-N 467.913 2.648 10 10 JFCE CCN(C(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 103040721 DRTLIBISZWOUMG-UWZYDCLUSA-N 459.014 2.577 10 10 JFCE COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c2c1O 238809391 RDZHWLXAYXSNHT-UHFFFAOYSA-N 963.956 2.655 10 10 JFCE O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)cc1)C1=S=CC=C1 1565734533 IETZYXAVKXGLSJ-UHFFFAOYSA-N 455.561 2.843 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ncn3)CC2)cc1 1858248747 RYQPRSVERHTJRX-UHFFFAOYSA-N 477.565 2.802 10 10 JFCE COc1ccc(CC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862303597 RBYYQTLJGJDNAE-HSZRJFAPSA-N 471.623 2.833 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1 1864021631 DMTNHILXTYBRGR-HNNXBMFYSA-N 475.427 2.739 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865028669 XRUSWIIZXTVEII-QHCPKHFHSA-N 489.576 2.841 10 10 JFCE CC(=O)Nc1ccc2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c2c1 1866438059 OIRQLCSWLGITCD-QFIPXVFZSA-N 458.522 2.805 10 10 JFCE COc1ccc(N2CCN(C(=O)CCc3nc4c(C)nn(-c5ccccc5)c4n(C)c3=O)CC2)cc1 21156022 TTWNOQZCOMGAHN-UHFFFAOYSA-N 486.576 2.718 10 10 JFCE O=C(O)COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 210502082 PWZONOIVSBXFBB-PJQLUOCWSA-N 459.457 2.952 10 10 JFCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)c1O 248250919 SFNFKWPZRFMOFG-NUDCOPPTSA-N 452.507 2.511 10 10 JFCE COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526313364 QFIJXFFWFXEKML-JOCHJYFZSA-N 498.513 2.820 10 10 JFCE CC1CCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 731016715 VRLVIHWLAOSZGX-UHFFFAOYSA-N 460.556 2.816 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccc3cccnc3c2O)cc1 1142728349 RUJHHWSQAPMTMC-UHFFFAOYSA-N 455.536 2.860 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(Cl)cc4)C3)CC2)cc1 1858396374 OLLJBKNKIBNKLX-QGZVFWFLSA-N 463.987 2.708 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1 1864010062 OLPNVFGMLSEZNV-OPAMFIHVSA-N 492.532 2.664 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018525 MWFAHZRDAPFBMW-HXUWFJFHSA-N 464.522 2.896 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865029541 POSFSLDKTIWGSI-OAQYLSRUSA-N 469.586 2.506 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867673556 VSMAFHQHXVZBPX-DQEYMECFSA-N 477.609 2.668 10 10 JFCE CCC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868818786 WYTVGUVHIUCOEZ-QHCPKHFHSA-N 492.580 2.532 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCN1Cc1ccccc1 2136258869 NGZJFRVRXVHMPT-PMACEKPBSA-N 455.555 2.924 10 10 JFCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCCO4)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 8830963 PDPGLGMNAJEHCA-UHFFFAOYSA-N 483.502 2.912 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)N[C@H]3COc4ccc(OC)cc4C3)CC2)cc1 15820907 AEYODDROIODGSB-HXUWFJFHSA-N 454.571 2.519 10 10 JFCE CCOC(=O)N1CCN(C(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)CC1 2297305835 GPRVUROWZMUKCO-UHFFFAOYSA-N 498.424 2.951 10 10 JFCE Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2327589928 UGQHMPLZJMCOLY-UHFFFAOYSA-N 467.341 2.569 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C(=O)O)c1OC 210403135 BILSREMRUNZRAS-ZROIWOOFSA-N 489.487 2.856 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 1556199599 PQTNOESEAPZZCS-NRFANRHFSA-N 454.596 2.728 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)cc2)CC1 1616252390 QUZQYAPAIQITHO-HXUWFJFHSA-N 452.530 2.554 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc2CC1 1622101374 GGHPIGMCQVOYEE-UHFFFAOYSA-N 453.358 2.580 10 10 JFCE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)[C@H](C)C1 1690856949 CELANUNSJCQBIG-QGZVFWFLSA-N 474.660 2.836 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864010024 IFKIMXJZRMLMRQ-NRFANRHFSA-N 477.565 2.608 10 10 JFCE Cc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867896882 OYDNNVXJVBGNBC-DQEYMECFSA-N 466.626 2.804 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650641 CHZOUKLQOSJSPT-QHCPKHFHSA-N 475.597 2.694 10 10 JFCE COc1cc(/C=C2\C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OS(C)(=O)=O 96459472 YMWWRMDHKJWIGJ-CRKOOCFNSA-N 468.582 2.999 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 205622043 MZVIQCAOXVYDRW-LTGZKZEYSA-N 482.631 2.678 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)CC2)cc1 742939302 CTLHYBCVFPLAKR-UHFFFAOYSA-N 461.607 2.516 10 10 JFCE CCCN(CCC)C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827404 WWKIJVRPCAYWHL-HNENSFHCSA-N 475.592 2.728 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864013457 WYZUQOKEKXUVTC-LHSJRXKWSA-N 496.539 2.626 10 10 JFCE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016636 UKPMEQIPPZMHKJ-FQEVSTJZSA-N 477.565 2.651 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865038686 XMGLYXKDBBWINZ-FQEVSTJZSA-N 472.586 2.828 10 10 JFCE COc1ccc(N2CCN(C(=O)C[C@H](C)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1 21872018 VXBJWTXJMPYEDA-SFHVURJKSA-N 485.606 2.505 10 10 JFCE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1 35962874 DPLZXVWQMUSKGP-HSZRJFAPSA-N 486.016 2.927 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865030331 HYEQXPNHYHTCFO-HXUWFJFHSA-N 472.586 2.972 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871490517 OIXABKSZDDIWDL-KRWDZBQOSA-N 484.004 2.549 10 10 JFCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 16906496 FVIZNCWAPHPQSY-OVCLIPMQSA-N 459.461 2.604 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cnc(O)n(Cc4ccccc4Cl)c3=O)CC2)cc1 585154457 JLKFUYFULKEMLP-UHFFFAOYSA-N 454.914 2.622 10 10 JFCE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1286885245 JBDOGNIGIWKQNT-FQEVSTJZSA-N 464.618 2.619 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1508194737 MHJQXGZFTARYSW-NRFANRHFSA-N 472.609 2.805 10 10 JFCE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccc(N3CCOCC3)cc2)nnc1C(C)(C)C 1705939229 VDDOWPNVGMYGJV-UHFFFAOYSA-N 461.632 2.649 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)CS(=O)(=O)Nc3ccc(F)cc3F)CC2)cc1 1858111284 KTMCNYADINRPOB-OAHLLOKOSA-N 453.511 2.700 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862260168 AUQBRIXISYNXNW-YYSDWVBWSA-N 477.561 2.835 10 10 JFCE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008192 FLJMXMWYNRXGIN-HSZRJFAPSA-N 491.592 2.804 10 10 JFCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018736 BOHSCJHVPFJIPI-XCLFUZPHSA-N 498.967 2.750 10 10 JFCE CC(=O)Nc1cccc(N2C(=O)N[C@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)c1 1874016546 FZGFYQYXYNNSGT-OAQYLSRUSA-N 496.479 2.874 10 10 JFCE Cc1ccc(NC(=O)CNC(=O)CN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2297455466 PDKSNOWYECCVED-UHFFFAOYSA-N 469.544 2.680 10 10 JFCE O=C1/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 12779354 YMJSJYZRSPBJMO-CNTTZWEVSA-N 472.592 2.666 10 10 JFCE COC(=O)C[C@@H]1C(=O)NCCN1Cc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 12914006 ZDLMXEIRCBCUHW-JOCHJYFZSA-N 461.518 2.970 10 10 JFCE CCN1CCN(c2c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33387053 IZSKLBGIZVFFGB-CPNJWEJPSA-N 473.668 2.955 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)CC2)cc1 1858397644 WMYFLYFASIRTAE-QFIPXVFZSA-N 483.634 2.933 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3)CC2)cc1 1865014797 NTZNYGSGMDCSCY-QFIPXVFZSA-N 459.550 2.781 10 10 JFCE CC[C@@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868803513 HQJLIHXOJAVHEG-MUUNZHRXSA-N 494.636 2.708 10 10 JFCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 2296702668 GAIMZGSTKIYWBN-UHFFFAOYSA-N 453.545 2.890 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H]5C[C@H](C4)CN4C(=O)CCC[C@H]54)nc3)CC2)cc1 2297737314 VBLDTDBCRAZPDK-JLRUASKGSA-N 489.620 2.890 10 10 JFCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc1OC 2314831367 JLODXQAYTJROGJ-UHFFFAOYSA-N 452.554 2.666 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)c3cccnc3)CC2)cc1 56896127 JEJDKGKWEDWUHY-VWLOTQADSA-N 491.567 2.525 10 10 JFCE COc1ccc(N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1858035012 GMMVXOREZWNGEI-UHFFFAOYSA-N 458.584 2.547 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864011522 JANQRRLATRLBON-JOCHJYFZSA-N 496.539 2.764 10 10 JFCE CCCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548768 JFBPVVRADSUZRF-UHFFFAOYSA-N 464.570 2.649 10 10 JFCE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2040515962 YMJSJYZRSPBJMO-GJZGRUSLSA-N 472.592 2.666 10 10 JFCE CCOc1cc2c(cc1C=C1C(=O)NC(=S)N(c3ccc(OC)cc3OC)C1=O)OCO2 2294265327 WAXQWODFONRZAP-UHFFFAOYSA-N 456.476 2.663 10 10 JFCE COc1ccc(C=CC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2328514749 ROGCVJMGDMWNMM-HSZRJFAPSA-N 467.591 2.967 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 256037283 BPNZJYQMLDCEDQ-VQTJNVASSA-N 497.455 2.944 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1301768178 SYVKXZLKZYZQBP-DVECYGJZSA-N 485.652 2.719 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 1518369873 NGDJMDOQZYBLGK-QFIPXVFZSA-N 453.539 2.666 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)CC1 1561468481 FCWJQCBJNUUSHA-UHFFFAOYSA-N 454.552 2.797 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)C1 1741019984 TWGCFKYJOFPSMB-IFMALSPDSA-N 454.619 2.899 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccccn3)CC2)cc1 1862291050 FXOFLYIBPZKBIJ-DEOSSOPVSA-N 462.525 2.919 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865030059 BEOOAKQDPSSCMA-HXUWFJFHSA-N 469.586 2.514 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)n(C)n3)CC2)cc1 1869969898 XQGKHXTZDUUMIE-UHFFFAOYSA-N 451.487 2.619 10 10 JFCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619590 PKUURTICVFJNGX-UHFFFAOYSA-N 478.557 2.697 10 10 JFCE CCCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873549065 WIGHWHOTVJIVFY-UHFFFAOYSA-N 491.640 2.954 10 10 JFCE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)OCC(=O)NCCN1C(=O)CSC1=S 2042438679 FUDRFTFTUWNPTI-UHFFFAOYSA-N 496.973 2.506 10 10 JFCE CC[C@@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328486076 ZVBDVLLAGONPHU-JOCHJYFZSA-N 467.566 2.969 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-c4nc(C)c(C)o4)c3)CC2)cc1 743432012 DJJSJKXGUHUQRO-UHFFFAOYSA-N 477.565 2.844 10 10 JFCE CC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2O)CC1 1540951105 NWKVSPQNTBODFR-UHFFFAOYSA-N 482.610 2.870 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c(Cl)cccc21 1565532123 GYANDCQRFGDFAY-BLNYTHBUSA-N 469.925 2.513 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864007945 XWOYCUMLEXOLGG-UWJYYQICSA-N 462.506 2.582 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871492636 HPLITMFBXHEMCW-INIZCTEOSA-N 484.004 2.549 10 10 JFCE COCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871628902 NXPZHMYQXSRDOA-UHFFFAOYSA-N 489.584 2.697 10 10 JFCE O=C(O)CN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2296547600 KAYFNJQERJKWGX-UHFFFAOYSA-N 457.464 2.912 10 10 JFCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cc2nc(O)[nH]c2cc1[N+](=O)[O-] 2297534287 FCFCELOZIXPATO-UHFFFAOYSA-N 487.226 2.518 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn([C@H](C)C(=O)O)c4ccccc34)C2=O)c(OC)c1 2297620155 SPTGRJDGBDGQFA-CYBMUJFWSA-N 463.446 2.971 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)c1 104287186 XGKAKVSVYODRTF-PKKHPNISSA-N 481.599 2.704 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3[S@@](=O)C(F)(F)F)cc2)CC1 1466881911 GBGVRYVUCPMZJM-WJOKGBTCSA-N 453.486 2.913 10 10 JFCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4ccccc4C)c(C)[nH]3)CC2)cc1 1858530464 BGVHYBLGJCJJKU-UHFFFAOYSA-N 461.566 2.581 10 10 JFCE CN(C)CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871262867 OPJYRNPPBWNGAS-UHFFFAOYSA-N 493.608 2.643 10 10 JFCE CN(C(=O)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1 2106765339 JOTUCYDWCXRYLK-UHFFFAOYSA-N 454.571 2.716 10 10 JFCE CCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCC(=O)O 33456636 HVQJIKMAXRGLIP-OQLLNIDSSA-N 455.379 2.964 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 210415747 JSURKVXUPSEFKP-ATVHPVEESA-N 478.573 2.943 10 10 JFCE Cc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210700994 DRKOIIANVFLXCE-SFQUDFHCSA-N 461.590 2.872 10 10 JFCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)O)C2=O)c1 1084599804 JRDDUSCLWVLIKV-WJDWOHSUSA-N 454.435 2.614 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865029852 WPCWEXYPSAGREG-JZKQVHKSSA-N 456.543 2.589 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1 1869970754 WWAQYNNIBFJDMU-UHFFFAOYSA-N 485.548 2.680 10 10 JFCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(N4CCOCC4)=NC3=O)c3ccccc32)c1 2040582386 GXISZPGSKSZLFY-UHFFFAOYSA-N 462.531 2.653 10 10 JFCE CC(C)(C)OC(=O)NCCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080888186 ORUYBEOMCNQXCM-HNNXBMFYSA-N 453.536 2.565 10 10 JFCE NS(=O)(=O)c1ccc(-n2cccc2C=C2C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 2293568249 OCCADCSUJKKZGF-UHFFFAOYSA-N 477.329 2.893 10 10 JFCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296714167 BCHWZDKXLUZSER-UHFFFAOYSA-N 481.599 2.610 10 10 JFCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 2296935777 FNTAFDXQERDIIK-UHFFFAOYSA-N 480.521 2.773 10 10 JFCE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)c(F)c1 1705595558 XHIJTCOIAVLXCI-UHFFFAOYSA-N 493.612 2.955 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCCC[C@@H]2CCO)n1 1867953297 XLFCZGQVJSBQFS-OAQYLSRUSA-N 455.603 2.742 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671256 URTXACXHLLHMFZ-UHFFFAOYSA-N 491.640 2.986 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NC1CC1 2297576630 XRNFXMVKONWGJR-UHFFFAOYSA-N 462.506 2.890 10 10 JFCE CCOC(=O)c1nc(NCCCN2CCN(c3ccc(OC)cc3)CC2)c2c(C)noc2n1 35534932 VLPNZVQFLJQNBB-UHFFFAOYSA-N 454.531 2.736 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 210721975 ZLGARCNUOJERGS-QGOAFFKASA-N 491.616 2.963 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)cc2)CC1 1447713624 QMPCCXSXBJQZFJ-XMMPIXPASA-N 450.583 2.734 10 10 JFCE 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CCN(CC)c1ccc(C=c2sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 254405413 UGJROMDRFHQEPI-UHFFFAOYSA-N 478.574 2.513 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2c(O)cccc2Br)C1 721762649 QYZVHQUUZXFNRO-CYBMUJFWSA-N 463.394 2.669 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)CC1 857493755 BGASZZZCRCNIEX-RUZDIDTESA-N 451.567 2.908 10 10 JFCE COc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 1858043921 BJFGTPQVOHBADK-UHFFFAOYSA-N 466.556 2.677 10 10 JFCE Cc1nccn1CCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344913 HFYYIDNNDBZQER-UHFFFAOYSA-N 452.518 2.896 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865033383 YOCGJLAYINHKIJ-OAQYLSRUSA-N 493.539 2.576 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(O)cc1 26570515 ZUOXHKLDOULEEN-FGGAIWKESA-N 463.559 2.570 10 10 JFCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](C)(C(=O)O)[C@@H]2C1=O 248076557 BOPKQIOGBSGLPA-IAGYGMIVSA-N 459.296 2.757 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861958655 OKKPXYUTHVQUCF-IYJBSMEOSA-N 464.522 2.956 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864010463 TWXJFNSCJVBYEA-HXUWFJFHSA-N 460.494 2.510 10 10 JFCE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866114684 XRKAKGJSVSOHST-RPWUZVMVSA-N 458.566 2.920 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)N2CCCCC2)cc1 1866241182 RMJFUXNKLPQRCN-NRFANRHFSA-N 463.582 2.866 10 10 JFCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2053496570 BKDBHYLOOFRUKG-AWEZNQCLSA-N 460.581 2.523 10 10 JFCE CC(=O)NCCc1c(C=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)[nH]c2ccccc12 2296943090 QQZOKHYALMPTDM-UHFFFAOYSA-N 464.522 2.813 10 10 JFCE CCc1cccc2c(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cn(CC(N)=O)c12 2297559155 VVBFBNUUTJHQSH-UHFFFAOYSA-N 450.495 2.659 10 10 JFCE O=C1/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33933441 UEQWMBKMVHQILD-GHRIWEEISA-N 452.561 2.890 10 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XJLQKLHRXVVPPJ-OAQYLSRUSA-N 496.951 2.858 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@H]3C[C@H]3c3ccccc3)cccc21 1867058616 LRMYEWAEBGTSQK-ONTIZHBOSA-N 454.482 2.681 10 10 JFCE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2136259871 XPNNJNKYQHGXTK-HOTGVXAUSA-N 465.547 2.659 10 10 JFCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)OC 2313559346 WUBQMJIXIBQDRK-UHFFFAOYSA-N 458.467 2.608 10 10 JFCE COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1 9694002 OXNOFNZUKOZWRV-UHFFFAOYSA-N 499.589 2.931 10 10 JFCE COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)cc1O 14642663 BXDRTHBTGNNTEW-RTWAWAEBSA-N 456.403 2.831 10 10 JFCE biogenic COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)c1C 85621187 JAGLKJRYFUHZSE-IBGZPJMESA-N 482.581 2.628 10 10 JFCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(OC)c1 96460174 OJSMBEMHRMFRAY-TWGBNTOESA-N 487.563 2.733 10 10 JFCE COc1cc(N2CCC(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC 1858044464 VSDNFHUWAQBALP-UHFFFAOYSA-N 451.501 2.568 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1 1858074317 GBVVBLZZQYIWGG-HSZRJFAPSA-N 458.628 2.960 10 10 JFCE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858988190 GFTHWWKNLBFOJV-UHFFFAOYSA-N 491.525 2.651 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)sc(C)c1-c1ccc(F)cc1 1860758725 LGPWRIASYTZGKU-UHFFFAOYSA-N 461.515 2.702 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007609 QFNLKTJTYHAOIN-XMSQKQJNSA-N 492.532 2.590 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864015630 TUHYHGYYCJYQPG-AWEZNQCLSA-N 452.433 2.994 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867374898 ZSKDUGZXMHUHMW-DHIUTWEWSA-N 473.017 2.840 10 10 JFCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871709677 OXGHXDVHCXNJJN-UHFFFAOYSA-N 491.596 2.777 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCCO)nc12 2314413742 GHBWOPPKMMZNCM-UHFFFAOYSA-N 470.551 2.948 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)cc2C)C1 1741020606 FXPSVBJXQHPGKD-JOCHJYFZSA-N 461.614 2.991 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760581166 IHRVFJUJSJPNPU-WOJBJXKFSA-N 458.582 2.730 10 10 JFCE CCOc1cccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1O 1860718571 ZFEUCVDGNDAPNY-UHFFFAOYSA-N 485.566 2.727 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1 1862295671 RDHCLDQQQOBPQL-QHCPKHFHSA-N 470.639 2.962 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2 1864009109 ZKTMZOJMPJIQEY-QHCPKHFHSA-N 489.576 2.615 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1869121602 XRZYZXKIIBCICG-GOSISDBHSA-N 463.586 2.848 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)cc1 2314931046 LJJDWYHBHVPBLE-CYBMUJFWSA-N 478.573 2.942 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2357907635 PCRBKTHPJLRBIA-ULQDDVLXSA-N 479.574 2.953 10 10 JFCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 39983432 CDRPLSYRSBBPGA-FMQUCBEESA-N 467.572 2.567 10 10 JFCE NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 95626437 OCCADCSUJKKZGF-WOJGMQOQSA-N 477.329 2.893 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248065399 RCLGOHMXMZDSTJ-YGWSKSRPSA-N 494.548 2.773 10 10 JFCE COC(=O)c1ccccc1N1C[C@@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865923498 SWLWJOGAGBOQHG-MBSDFSHPSA-N 475.549 2.531 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868757933 UWXGMQRIDZKHKP-HSZRJFAPSA-N 465.529 2.556 10 10 JFCE CCOc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 96487581 JVUYDTYWCGPADF-SUBHDOALSA-N 495.517 2.806 10 10 JFCE COCc1ccc(C(=O)NCc2nnc3n2CCN(C/C=C\c2ccc(N(C)C)cc2)CC3)o1 209423538 MLBIBHDKINDCKL-PLNGDYQASA-N 464.570 2.585 10 10 JFCE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596702 YTGGKZFUDNCCAP-KSTYXSNFSA-N 452.735 2.843 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3ccccc3F)CC2)cc1 1862250736 ZVVYKYCDVXPIAS-JOCHJYFZSA-N 459.587 2.964 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1 1864009490 IGTOGDNXTQDJPP-FQEVSTJZSA-N 450.495 2.642 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864011382 SZOCWGNFJKRTLR-NRFANRHFSA-N 478.549 2.738 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc5nc[nH]c5c4)[nH]3)CC2)cc1 1871624620 GUNBRBICEXQDPJ-UHFFFAOYSA-N 473.585 2.738 10 10 JFCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccco1 2297345240 FKURCSDKQOQKAR-UHFFFAOYSA-N 488.503 2.519 10 10 JFCE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2297471425 FQFALBXQQJGIAV-UHFFFAOYSA-N 465.462 2.912 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864011880 ZKUKYWDHMUQYRY-QFIPXVFZSA-N 472.501 2.548 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012436 ZVISYOVSZNPQPT-FQEVSTJZSA-N 484.940 2.762 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864020441 ZCPJGMCPXYAOQB-QFIPXVFZSA-N 491.592 2.668 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027903 NJCUKPPQMHCNLR-HXUWFJFHSA-N 482.924 2.799 10 10 JFCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)O 2294253333 BLLVRWODXYQSKY-AWEZNQCLSA-N 454.504 2.995 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864009720 LDGWDYPGCDLQED-FQEVSTJZSA-N 457.575 2.555 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1868045613 NYFQFDGMUSNWOC-QFIPXVFZSA-N 493.564 2.990 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719901 LKSREPVOJMUUQN-QFIPXVFZSA-N 477.569 2.669 10 10 JFCE C[C@@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2080896546 KILACLGMYMXDFJ-ZFWWWQNUSA-N 453.536 2.563 10 10 JFCE COc1cc(C=C2C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OS(C)(=O)=O 2297345164 YMWWRMDHKJWIGJ-UHFFFAOYSA-N 468.582 2.999 10 10 JFCE COc1ccc(N2CCN(C(=O)COC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 2297510660 JZPCLJKKJDYOLD-UHFFFAOYSA-N 470.522 2.626 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3ccc(-n4c(=O)[nH]c5ccsc5c4=O)cc3)CC2)cc1 4763499 FQKGMPUIYZHXMH-UHFFFAOYSA-N 476.558 2.640 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(F)ccc3OC(F)F)cc2)CC1 1661394985 MMLNQHYDRKKPPF-UHFFFAOYSA-N 457.474 2.574 10 10 JFCE COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc(C)c1-c1ccc(C)c(C)c1 1860761551 YHCBNBWPTCMPOI-UHFFFAOYSA-N 473.595 2.904 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015166 KWNACQKZWWIBOS-INIZCTEOSA-N 474.439 2.904 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864019532 LFCGZZCVKVOJIU-NRFANRHFSA-N 488.548 2.714 10 10 JFCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019656 OJZNZKYKUAXMIU-AOMKIAJQSA-N 492.576 2.713 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1 1864021219 NGXNRHZEMUBJEX-HXUWFJFHSA-N 498.580 2.763 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865025515 AQNQJHYODDHEGW-ZCCHDVMBSA-N 476.533 2.922 10 10 JFCE CN(C)c1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867878898 VQINZBYCSPJPSK-XMMPIXPASA-N 451.615 2.892 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3ccc(C)cc3)CC2)cc1 1872635846 NVPNZMCQPGBRBK-UHFFFAOYSA-N 452.511 2.736 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328484268 ITWBAPFKKSJNRY-JOCHJYFZSA-N 497.617 2.976 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 33593949 BRIKNVAIXPCMDJ-MGQBIDJDSA-N 499.567 2.970 10 10 JFCE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4c(C)nn(C)c4C)c(=O)n32)cc1 254836558 YUDVKUHROLLTNC-QHCPKHFHSA-N 493.633 2.605 10 10 JFCE CC(=O)N1C(=O)[C@@H]([C@@H]2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 606618893 BCYPOJMBVVIRLI-QUCCMNQESA-N 492.582 2.895 10 10 JFCE CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 731405849 IQWUJHTXRFMCDO-NRFANRHFSA-N 473.595 2.740 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)C1 1741033557 NNSKNWOZKOXFHP-JOCHJYFZSA-N 478.645 2.867 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864012768 IWNDXXITQHRCLZ-IIBYNOLFSA-N 491.548 2.621 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2 1865030646 NYNLGKBATSYKAD-FQEVSTJZSA-N 486.569 2.763 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(O)cc3)n4C)CC2)cc1 1873567345 KOLTWTSMRVOXHT-UHFFFAOYSA-N 472.549 2.939 10 10 JFCE NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1 2040498245 GENZEBVDEMIADZ-UHFFFAOYSA-N 483.619 2.540 10 10 JFCE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(N)cc1 2106751434 SEKXNEFLRWBWJQ-UHFFFAOYSA-N 465.595 2.949 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 2330546508 QZSCTJNRQYFVPT-GOSISDBHSA-N 483.565 2.588 10 10 JFCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 748866732 NILNZNROXVYGEA-UHFFFAOYSA-N 452.535 2.801 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)C1 1690789460 GTGCQDRAIIDXNT-DLBZAZTESA-N 450.634 2.726 10 10 JFCE COc1ccc(/C=C2/SC(=S)N([C@@H]3CC(=O)N([C@H](CC(C)C)C(=O)O)C3=O)C2=O)cc1 1772721594 PGORYVFSXPICJC-LCYSWIRJSA-N 462.549 2.523 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862241769 KNAZHYLUGWWHNX-HSZRJFAPSA-N 477.540 2.623 10 10 JFCE CCN1CCN(C(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2CC)CC1 1873546862 ZKOWXPRDGMMAAB-UHFFFAOYSA-N 477.613 2.564 10 10 JFCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n3cccc(C)c3nc21 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CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874017804 XBVXWXOFDOGTNB-UHFFFAOYSA-N 491.525 2.728 10 10 JFCE CCOCCCNc1cc(N2CCN(CCO)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857830 HUYVLANPPKLHSG-UHFFFAOYSA-N 450.539 2.992 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cccc(Cl)c4)C3)CC2)cc1 1615105955 OICQQHSIDKJMIR-UKILVPOCSA-N 477.001 2.557 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)cc2C)C1 1690791916 FDLUTMGFIGQILY-OAQYLSRUSA-N 461.614 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3ccc(C)cc3)CC2)cc1 1862277028 XAPZLWJJMCIACH-JOCHJYFZSA-N 455.580 2.633 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008153 DOTMTZJEZWHPJG-XMSQKQJNSA-N 476.533 2.890 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030793 RERZNDJCJVMDOU-HXUWFJFHSA-N 461.522 2.948 10 10 JFCE CCOc1ccc(Nc2nc(=NCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871527435 MFJHXUQLYMQHQR-UHFFFAOYSA-N 479.585 2.829 10 10 JFCE COCCOCC(=O)Nc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874755513 ZTZKIUJIMYFETK-UHFFFAOYSA-N 455.555 2.692 10 10 JFCE COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 2297366558 BIKZKMUULMDJBS-UHFFFAOYSA-N 467.547 2.679 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 504693161 TXDFHSXTKSUUGO-VDCBMBLKSA-N 475.545 2.620 10 10 JFCE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)c(F)c1 1705583235 SWRHDZVRHXQHMT-UHFFFAOYSA-N 472.572 2.778 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1749882990 KWYFUZWRPCTKME-SQJMNOBHSA-N 481.689 2.888 10 10 JFCE COc1ccc(CC(=O)N2CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 1858093266 RPEJQEVTRMKIIG-UHFFFAOYSA-N 451.567 2.834 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008121 CQWXJJXPJSQUCC-CVDCTZTESA-N 490.560 2.949 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864021140 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CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1690824041 RANLPCUTTAWNTN-UHFFFAOYSA-N 472.609 2.949 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)C1 1722752479 ONCSSCBFHXUVNI-NRFANRHFSA-N 477.613 2.745 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864008244 GOFFDVFXLMBGAZ-HSZRJFAPSA-N 491.592 2.804 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026983 UZZZTGORPNZTJK-JOCHJYFZSA-N 481.597 2.794 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865028599 XGDVMYMNODOQRZ-QHCPKHFHSA-N 489.576 2.839 10 10 JFCE CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870496044 JRQXZIDCORQSFJ-UHFFFAOYSA-N 482.625 2.836 10 10 JFCE CCOc1ccc(Nc2nc(=NCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871533034 DZIGCMFHSCOYMU-UHFFFAOYSA-N 492.628 2.745 10 10 JFCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 1890593031 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CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CSc4nccn4C)o3)cc2)CC1 1138228887 NEQRVADROPMQHG-UHFFFAOYSA-N 453.568 2.904 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1862000621 DMYLYTOGNXPWOI-SQJMNOBHSA-N 482.600 2.552 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccn(Cc4cccc(C)c4)c3=O)CC2)cc1 1862033160 SRELAUKDVGKFDI-NRFANRHFSA-N 488.588 2.681 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865348851 PAKUHHSWQJSDLF-QHCPKHFHSA-N 490.608 2.763 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867787322 HBZBRGMKNOOSBC-DEOSSOPVSA-N 496.612 2.800 10 10 JFCE COCCc1nc(N2CCC(N(C)C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867953123 NVXBZPUFXJKYKV-UHFFFAOYSA-N 454.619 2.531 10 10 JFCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873167864 AVIAJGSKNNOUPK-GOSISDBHSA-N 450.583 2.894 10 10 JFCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)cc1 2296417329 ZVEWHOGRJIICDK-UHFFFAOYSA-N 456.974 2.625 10 10 JFCE N[C@H](c1cc(I)cc(I)c1O)[C@@H](O)C(F)(F)F 575249501 BGFGVORGLUFWES-HTRCEHHLSA-N 472.970 2.524 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc(-c5cccnc5)no4)C3)CC2)cc1 585224248 YCSAUSSSTKQRJX-FQEVSTJZSA-N 462.554 2.701 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1 742916140 DBDLHOCINKJUGI-HHHXNRCGSA-N 486.616 2.975 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)cc2)CC1 1632946302 WSNGOBMCJBTFBC-UHFFFAOYSA-N 450.583 2.900 10 10 JFCE CCC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862164249 FCROTTXEHPGYIS-DHLKQENFSA-N 492.620 2.677 10 10 JFCE Cc1cc(=O)oc2cc(OCC(=O)NN3C(=O)CS[C@@H]3c3ccc(N(C)C)cc3)ccc12 59461987 QWAHRSICMROJSV-HSZRJFAPSA-N 453.520 2.852 10 10 JFCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc2)C1 728263191 UNNGWKFAOABUGR-KDURUIRLSA-N 493.651 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccn(Cc4ccccc4F)c3=O)CC2)cc1 1862026749 FZYAHMVKSSDKCG-IBGZPJMESA-N 492.551 2.511 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009657 JOHLAULWCPVJOV-OAQYLSRUSA-N 479.537 2.613 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864012271 WIVIDGSYSXITRG-OAQYLSRUSA-N 482.512 2.637 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864014665 ZYFYTZWDDHVCEF-UZLBHIALSA-N 470.570 2.893 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2 1865026763 ABPMTVOGKKZQHU-NRFANRHFSA-N 495.967 2.837 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869058587 ITXMVEIVSXYXFQ-QFIPXVFZSA-N 497.958 2.968 10 10 JFCE CCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870522100 WAVCLIZQVFGXSO-HXUWFJFHSA-N 470.614 2.883 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 1872635543 ZNKLHZKJMRWAGM-UHFFFAOYSA-N 493.564 2.912 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296722586 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CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 253609329 HXVNRKFMDLTFSX-UDVCTHKZSA-N 483.477 2.629 10 10 JFCE CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1084444561 ZEZFIUFBKKFHQM-QNGOZBTKSA-N 482.512 2.899 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(-c4cccc(Cl)c4)c3C)cc2)CC1 1556199707 SYXCEUWDKKSLQW-UHFFFAOYSA-N 452.946 2.828 10 10 JFCE CCOc1ccccc1OCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175783 DZVLDTMXWQPIQU-OAQYLSRUSA-N 485.606 2.723 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009120 ZQKLAXGXLHORRI-IBGZPJMESA-N 470.913 2.703 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009936 FYZNVRNFEBRCMA-FQEVSTJZSA-N 464.522 2.693 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864012934 MNGQHTAZMWFGOI-NRFANRHFSA-N 494.548 2.812 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018551 NSWRKRUTFASWNK-HXUWFJFHSA-N 464.522 2.896 10 10 JFCE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865026551 PJTHXLURIRCURD-OAQYLSRUSA-N 463.538 2.803 10 10 JFCE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)Cc2ccc(N)cc2)C1 2044593243 IPRHWTKRIHQDKL-UHFFFAOYSA-N 461.584 2.583 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15036283 WPQMNOIXXWRGIT-NVNXTCNLSA-N 483.980 2.533 10 10 JFCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989658 SNCMEPKNNBBAQI-WJDWOHSUSA-N 460.581 2.715 10 10 JFCE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 1084452888 PJYRBUJNRONKGV-BOPFTXTBSA-N 476.405 2.972 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2CC1 1208586316 FQDISCVMXAGYAU-GOSISDBHSA-N 457.596 2.510 10 10 JFCE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1596165046 DESBJFSKHFQJMJ-IBVKSMDESA-N 484.645 2.798 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 1858095245 KKTHGMXUMOFATN-OAQYLSRUSA-N 473.595 2.514 10 10 JFCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc5nc(O)[nH]c5c4)cn3)CC2)cc1 1858438238 YNDCLAHXCYAGHV-UHFFFAOYSA-N 480.550 2.800 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1 1865034128 PWGRYKZRWXNAHE-INIZCTEOSA-N 496.486 2.649 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865600903 HZHDHIPREFVAFB-OAQYLSRUSA-N 476.581 2.753 10 10 JFCE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C[C@H]1C 1869294388 VBVRWUDJPXDYAO-BGYRXZFFSA-N 454.619 2.666 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969993 LEIDTYGFMNKXAJ-UHFFFAOYSA-N 470.537 2.953 10 10 JFCE CCCCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581519 PWXXUCVJVDPKMF-UHFFFAOYSA-N 466.586 2.679 10 10 JFCE CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 2297349322 WLORYGWROJLUQL-UHFFFAOYSA-N 457.512 2.895 10 10 JFCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)N3CCCC3)CC2)cc1 9611890 CJNZIEWZOVKSCK-PGRDOPGGSA-N 456.612 2.747 10 10 JFCE CC(C)n1c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c2cc(S(=O)(=O)N3CCCC3)ccc21 65138124 VTQWGIFBSPLTRQ-UHFFFAOYSA-N 499.637 2.551 10 10 JFCE C[C@H](O)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 102848300 BOWACKKTIDPYLS-VUODPORTSA-N 466.588 2.931 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])s3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725401071 GSTQDEKZCLGHCU-KZFLWGQDSA-N 498.586 2.834 10 10 JFCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c(C)c1 727250321 INIOFITYJRYWMD-UHFFFAOYSA-N 456.509 2.682 10 10 JFCE CCC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862040965 VKBDPQFWZMGTNP-OAQYLSRUSA-N 470.526 2.859 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864007944 XWOYCUMLEXOLGG-UTKZUKDTSA-N 462.506 2.582 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864013280 UYNOQENOUJWIHK-PMACEKPBSA-N 498.967 2.982 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C)cc3C)CC2)cc1 1872677593 DMFITPPYPMDBOP-UHFFFAOYSA-N 465.510 2.675 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc4c[nH]nc4c3)CC2)cc1 1873537100 ZHTQNRNMFMKEDB-UHFFFAOYSA-N 453.506 2.992 10 10 JFCE O=C1C(=Cc2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2040498321 HPVOLUNEICEMSD-UHFFFAOYSA-N 496.570 2.619 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2200964342 XLWVAVNJVBGTLT-INIZCTEOSA-N 477.558 2.613 10 10 JFCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=CNCCN2CCOCC2)cc1 2293104010 IAJWDLURLKLQCX-UHFFFAOYSA-N 463.563 2.862 10 10 JFCE CSCC[C@@H](NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C 2296147175 INDSEMYXMYTXGY-OAHLLOKOSA-N 453.948 2.860 10 10 JFCE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2296160379 NTRODLQKQZVLMK-LJQANCHMSA-N 466.881 2.662 10 10 JFCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=S)Nc2ccccc2)CC1 2296677311 LZDJXORTPHQMRH-UHFFFAOYSA-N 493.593 2.805 10 10 JFCE COc1ccccc1CCNC(=O)c1coc(CN2CCN(Cc3cccc(OC)c3O)CC2)n1 34678347 GEJMZTSXRIRRED-UHFFFAOYSA-N 480.565 2.688 10 10 JFCE CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1 35963514 ABZYJFJFCDMXQD-XMMPIXPASA-N 498.603 2.594 10 10 JFCE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)C[C@@H](C)O1 584905933 IIBGDNXDVUXBRS-UNTJOCHCSA-N 486.619 2.688 10 10 JFCE CC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861991473 BVAJQYRMHTUVBU-VWLOTQADSA-N 488.588 2.762 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862152827 IYMXDWGFPNTLCP-LSABQMHNSA-N 495.601 2.730 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864021975 SHQZHHWDCDVRKL-KXBFYZLASA-N 456.543 2.503 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865033915 KINXFOCIMMMLCL-CJNGLKHVSA-N 496.486 2.791 10 10 JFCE COCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1cccc(Cl)c1 1869970889 RULUHGYXLMGQQU-UHFFFAOYSA-N 456.934 2.841 10 10 JFCE CCCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870655950 HLHZLAQJJFFENT-UHFFFAOYSA-N 482.625 2.980 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 20208238 FRBQPFNVKZIQCW-VOPKFQMRSA-N 459.465 2.866 10 10 JFCE O=C(CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 31837046 BYUBOYWVRHSNGW-UHFFFAOYSA-N 457.398 2.734 10 10 JFCE Cc1cc(CCNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c(C)n1-c1ccccc1 727100423 VKANNHQPNSFODB-UHFFFAOYSA-N 483.370 2.659 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 1138229150 WPCQTWNLPWXSAL-UHFFFAOYSA-N 456.974 2.835 10 10 JFCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCOCCO)cc1OCCCO 1871265367 IJCWSMPJEOVPGS-UHFFFAOYSA-N 453.539 2.974 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166274 JRFIBUJZWJLIEJ-JOCHJYFZSA-N 459.550 2.908 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccn3)n4C)CC2)cc1 1873568194 IPULDEFYDGXZQS-UHFFFAOYSA-N 457.538 2.629 10 10 JFCE COCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296540705 HZCDORRTIXESGP-SFHVURJKSA-N 496.614 2.996 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3cc(OC)ccc3OC)CC2)cc1 2331197106 OSZADGLDLQOFGW-QHCPKHFHSA-N 497.617 2.976 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@H](C)C(=O)O)C2=O)cc(OC)c1O 15045002 QJOGFBNRISEKHI-COOUDCDJSA-N 482.580 2.760 10 10 JFCE Cc1c(/C=C2/SC(=S)N(C)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 33458886 SDRCHHIHYOFCET-XDHOZWIPSA-N 483.594 2.862 10 10 JFCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 40937871 XSPVMERPIKNGEL-QGOAFFKASA-N 478.592 2.851 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])s3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447086 GSTQDEKZCLGHCU-MJLBXUHQSA-N 498.586 2.834 10 10 JFCE Cc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1I 728021248 BLGJBRKXLPBFOZ-UHFFFAOYSA-N 484.359 2.764 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)NC(=O)c3ccc(Br)s3)CC2)cc1 742919075 BXIJNELKFUMQSK-OAHLLOKOSA-N 495.443 2.576 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(OC)cc3OC)CC2)cc1 1862150147 PXACPFRSTQLTNS-VQANOXKBSA-N 453.539 2.579 10 10 JFCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013476 XCBMNWYELRWUCI-QFIPXVFZSA-N 492.576 2.715 10 10 JFCE CCOc1cc(C=C2C(=N)N3N=C(SCC)SC3=NC2=O)ccc1OS(C)(=O)=O 2297499523 KDVAIGYRRZHPEA-UHFFFAOYSA-N 454.555 2.753 10 10 JFCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)o2)cc1 34982610 UTJCMOZABSJTSF-FBJMNJBLSA-N 450.563 2.974 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 210721881 LCCNVHKTSQOAST-SFQUDFHCSA-N 477.589 2.660 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248256594 UUJAUZGELUIRND-PBQROFAYSA-N 452.507 2.513 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21 248375559 BAQUBCBADCKCTH-UDQCZILSSA-N 450.491 2.914 10 10 JFCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015443 RHVYZFSZRZWXLH-MRXNPFEDSA-N 497.518 2.783 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019336 IXBWTZWBFUATTP-JOCHJYFZSA-N 491.592 2.586 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871544939 HTFJOIYCEACBJT-UHFFFAOYSA-N 486.555 2.940 10 10 JFCE O=C(O)CCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546141 PLIIZIOABSEIHJ-INIZCTEOSA-N 496.570 2.516 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2326941573 RUNDHGFAPJXKAV-UHFFFAOYSA-N 485.518 2.857 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(NCCCOC(C)C)nc12 33698157 UKDODLWALGHCCV-FOWTUZBSSA-N 490.607 2.906 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3nnn(-c4ccc5ncccc5c4)c3C)CC2)cc1 731342816 AOUXBWAMFNAEMH-UHFFFAOYSA-N 471.565 2.685 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)CC1 1459049635 KJGUHKZUOMISEI-UHFFFAOYSA-N 458.584 2.684 10 10 JFCE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1540978130 RZPWKIKYDQYZRA-CJAUYULYSA-N 488.608 2.629 10 10 JFCE COc1ccc(N2CCN(C(=O)CCC(=O)NC[C@H](c3ccc(C)cc3)N(C)C)CC2)cc1 1858105419 NVQPBEYHDWXSDL-XMMPIXPASA-N 452.599 2.852 10 10 JFCE Cc1noc(CNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860345007 NDMIISKIMZNBRJ-UHFFFAOYSA-N 454.490 2.972 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865032808 LMUYFFHVNIPMFN-JOCHJYFZSA-N 489.576 2.705 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1 1869969364 AVXCLKOKGFNSKP-UHFFFAOYSA-N 474.521 2.878 10 10 JFCE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2297365338 OQOMSWPBPNVJNG-UHFFFAOYSA-N 453.524 2.859 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCCC(=O)O 16912070 VDXMTJAKLANJOW-SFQUDFHCSA-N 494.572 2.643 10 10 JFCE Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459949 IXBRKPRKIBWIQC-YHIMZFEVSA-N 468.516 2.835 10 10 JFCE O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 729688359 UZZQCOPMZCMAPI-CPNJWEJPSA-N 486.600 2.761 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCc4c(cnn4-c4ccccc4)C3)CC2)cc1 742947375 CSVWICMHANIJFZ-UHFFFAOYSA-N 460.582 2.771 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3ccc(Cl)cc3)CC2)cc1 1862244181 CHWDPFFWQDVESH-OAQYLSRUSA-N 475.998 2.978 10 10 JFCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1864023212 VYESKNJFSPICGT-HNNXBMFYSA-N 473.411 2.671 10 10 JFCE CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868612013 JAUMHCDGTUAKMH-HSZRJFAPSA-N 464.566 2.679 10 10 JFCE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 21113950 SUZJTRYGQVRDTH-QFIPXVFZSA-N 498.649 2.769 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1 742928241 IFCPHSIMWCNBBF-UHFFFAOYSA-N 451.615 2.781 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 742939328 DPJALRYCIFSUPT-LJQANCHMSA-N 474.627 2.623 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)cc2)CC1 1138228500 BPAZYOZDWHNDCP-UHFFFAOYSA-N 456.493 2.668 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3cc(Cl)c(OC)c(OC)c3)CC2)cc1 1341260729 CPQWPLGKFCHJTP-UHFFFAOYSA-N 462.978 2.987 10 10 JFCE CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)CC1 1596127753 ZSMLQFALIIZNDP-UHFFFAOYSA-N 464.618 2.621 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1 1858411849 QASPWAUBZATRBS-JOCHJYFZSA-N 471.623 2.628 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864015117 JVHMNIDBLBZJAP-ZDUSSCGKSA-N 466.441 2.923 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018611 PCTGDAAOUFZIBG-OAQYLSRUSA-N 496.539 2.891 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(O)c1 1865043407 TVXTYALKZVBYPY-QHCPKHFHSA-N 489.576 2.969 10 10 JFCE COCCn1c(C(=O)N2CCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873556959 FXVOLGLTLRKKEZ-UHFFFAOYSA-N 464.570 2.649 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951417 BAWNBEDUDNKORY-IKGGRYGDSA-N 479.574 2.953 10 10 JFCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314542248 TVHPWVKHNOZJEU-ZDUSSCGKSA-N 461.477 2.775 10 10 JFCE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(=O)O 2314836935 MACUEJSYRNBYFV-GFCCVEGCSA-N 451.526 2.946 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NS(=O)(=O)c2cccc3nsnc23)c1 23385798 AAHMAJDMIFHREZ-UHFFFAOYSA-N 469.614 2.589 10 10 JFCE CN(C)c1ccc(CNC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc1 101624859 DTAZEAYRAUYIIV-UHFFFAOYSA-N 452.599 2.874 10 10 JFCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)O)N[C@H]2c1cccc(OC)c1O 247904499 GYHMCDZUQVNPMI-WKGYELDXSA-N 452.507 2.819 10 10 JFCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018514 MTVJKFARCMUABL-RBZFPXEDSA-N 498.967 2.750 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865027764 KRHBEYXOMMDXNM-HSZRJFAPSA-N 490.560 2.577 10 10 JFCE COCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(C/C=C/c1ccc(N(C)C)cc1)C2 14755663 XGQKONSHSKXNLQ-FNORWQNLSA-N 474.609 2.992 10 10 JFCE COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 96462709 YASYEBGBYWHZJM-PJPVWUKMSA-N 463.928 2.761 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)N3CCc4ccccc4C3)CC2)cc1 743362667 HRWDKRQASFDBNH-NRFANRHFSA-N 451.615 2.563 10 10 JFCE COc1ccc(N2CCC(O)(CN3[C@H](CNC(C)=O)C[C@]4(C)[C@H]3CCCC[C@]4(C)O)CC2)cc1 1615193229 SDMPNXRYFOXZOM-CDCCBSOTSA-N 473.658 2.937 10 10 JFCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](Cc3cnc[nH]3)C(=O)O)C2=O)cc1 1858587127 OCWLKUGLVIYGIP-LGEORROZSA-N 488.591 2.554 10 10 JFCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 1860713560 HCSPOYJUVLWHIQ-UHFFFAOYSA-N 455.540 2.718 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865026065 JFRCCZNKXFDSPC-OAQYLSRUSA-N 498.967 2.840 10 10 JFCE CCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569581 LEKFVOASMQYQFC-UHFFFAOYSA-N 452.559 2.553 10 10 JFCE Cc1sc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1-c1ccc(-c2ccccc2)cc1 1892157733 JOTVEKUNGPFOPV-UHFFFAOYSA-N 468.560 2.984 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1 2297511230 SYWASFRARTZSQZ-UHFFFAOYSA-N 483.531 2.831 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 1760612463 MGGVWOPSBUSKIO-SFHVURJKSA-N 458.582 2.558 10 10 JFCE CCn1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)c1=O 1862019048 GKFLSQPOCWSKQW-XMMPIXPASA-N 474.561 2.697 10 10 JFCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865035634 YDICMALPLRVIRL-FQEVSTJZSA-N 498.967 2.704 10 10 JFCE CC(=O)N1C(=O)C(=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c2ccccc21 2314539483 UFZGWMHYSIAUCU-UHFFFAOYSA-N 468.468 2.752 10 10 JFCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935244 OFCKMTIZOARPGQ-LBPRGKRZSA-N 473.532 2.878 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(CN4CCO[C@@H](C)C4)c3)CC2)cc1 726241080 ARTSXRXCBQCBTJ-QFIPXVFZSA-N 481.641 2.537 10 10 JFCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 727743224 RUHPMWJHBDIETA-UHFFFAOYSA-N 482.606 2.973 10 10 JFCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O 1559997173 PKQGIJUNUFSRSC-UHFFFAOYSA-N 454.546 2.789 10 10 JFCE CC[C@H](C)OC(=O)[C@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827205 UWMSWBXJHLFAOU-FDZSXSGJSA-N 462.549 2.810 10 10 JFCE CCC[C@@H](NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862268887 FYHSEWXVEIGMDV-OAQYLSRUSA-N 455.555 2.716 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864015678 CUCYNXDZZYPCJG-AUUYWEPGSA-N 464.522 2.563 10 10 JFCE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031276 DGHPRDSMWKRPCS-STXHMFSFSA-N 476.533 2.829 10 10 JFCE COCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873596349 SKZKLRYJBNMGFX-UHFFFAOYSA-N 490.564 2.784 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)cc2)CC1 1625198855 LPTKMHQIUUTWHB-UHFFFAOYSA-N 455.580 2.611 10 10 JFCE CC(=O)N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC12CCCCC2 1686725758 VLXZKNBVMGELBW-UHFFFAOYSA-N 450.530 2.878 10 10 JFCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)N2CCCCC2)cc1 1858074574 MBLCRJHYMRGDDG-OAQYLSRUSA-N 458.584 2.703 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCOCCO)sc(C)c1-c1ccc(Cl)cc1 1860759246 QDEGALVHVGJRTH-UHFFFAOYSA-N 454.932 2.617 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865031759 NQZGCJMCEACWIQ-OAQYLSRUSA-N 489.576 2.747 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])n(C)n3)CC2)cc1 1869969520 OSHJMKTWMRAYGL-UHFFFAOYSA-N 471.905 2.964 10 10 JFCE O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179080 MHPVOGIBMLRBNM-UHFFFAOYSA-N 452.463 2.908 10 10 JFCE CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@H]1C 20854991 XDYVFPPYKHVYCZ-LJQANCHMSA-N 499.633 2.895 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCNC(C)=O)sc(C)c1-c1ccc(Cl)cc1 1860758104 AZBWLIIHASSOCR-UHFFFAOYSA-N 451.932 2.744 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865026538 PAPCNERKOKBZCB-NRFANRHFSA-N 498.967 2.840 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865030117 CUAOTGWWIFEFGO-NJSLBKSFSA-N 456.543 2.597 10 10 JFCE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 33760271 IFUUOYUPNQHTTH-YVLHZVERSA-N 458.517 2.999 10 10 JFCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(N4CCOCC4)=NC3=O)c3ccccc32)c1 95927352 GXISZPGSKSZLFY-QZQOTICOSA-N 462.531 2.653 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)ccc1O 210749286 GGJQYFVXDLRXGM-LFIBNONCSA-N 452.554 2.753 10 10 JFCE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1286857053 NOHFZIBVEHQCOH-JOCHJYFZSA-N 481.645 2.911 10 10 JFCE COc1ccc(C)cc1S(=O)(=O)NC1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1858044179 KHFJKWIWGPBXFK-UHFFFAOYSA-N 450.557 2.977 10 10 JFCE CCc1sc(NC(=O)C(=O)N=c2nc[nH][nH]2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750666 ZAARGVSUTMKYDN-UHFFFAOYSA-N 478.328 2.644 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864016440 PGANWJTVWPGQNC-IBGZPJMESA-N 464.522 2.565 10 10 JFCE COCCNC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870967565 RPUKQEJYJSYNJE-LJQANCHMSA-N 480.565 2.726 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871512932 PTOMPFONTCCFGG-UHFFFAOYSA-N 497.047 2.730 10 10 JFCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200958322 KRALRWLRUJEJBH-PVAVHDDUSA-N 479.574 2.905 10 10 JFCE CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 9972663 XVLZDGWUSHUVAJ-NWZZKEMCSA-N 459.296 2.838 10 10 JFCE O=C(Cn1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1 33631627 VTTOAVHDEPFYSO-XNHPLOEXSA-N 471.604 2.880 10 10 JFCE O=C(COc1ccccc1/C=C1/SC(=S)N(N2CCOCC2)C1=O)Nc1nccs1 35519777 GXMOOULGTJTLBK-RVDMUPIBSA-N 462.578 2.609 10 10 JFCE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413098 GEMJCQFDARWXTL-LJQANCHMSA-N 484.354 2.745 10 10 JFCE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705946443 IAEUZVUYTFMBNM-IBGZPJMESA-N 491.683 2.825 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865031414 GJPZQLNYKPSZNE-HRAATJIYSA-N 490.560 2.907 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1 2053497248 BZUDTAGDIIMWRP-UHFFFAOYSA-N 491.642 2.890 10 10 JFCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1 2140774152 LRGAOIHHUBQJKH-UHFFFAOYSA-N 486.635 2.886 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(C(=O)O)o3)c3ccccc32)SC1=S 2326945090 FATRHMXCVVHXDL-UHFFFAOYSA-N 458.473 2.571 10 10 JFCE COc1cc(Br)c(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 12922857 MALPUQMQHZELJD-YBEGLDIGSA-N 473.414 3.000 10 10 JFCE CCOC(=O)c1cc(-c2ccccc2)sc1N/C=C1/C(=O)NC(=S)N(CCOC)C1=O 102908546 VFSHFTBJEXBQKB-QINSGFPZSA-N 459.549 2.777 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3nnn(-c4ccccc4Cl)c3C)CC2)cc1 728862665 FUXLSRQYLPRFRQ-UHFFFAOYSA-N 454.962 2.790 10 10 JFCE COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084391692 OVRHFXMTMAKKRF-WQLSENKSSA-N 493.310 2.971 10 10 JFCE CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)CC1 1705980964 CIPIOUMPYPYUNB-UHFFFAOYSA-N 474.660 2.837 10 10 JFCE CCS(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1858096326 CVQBKWHOIWTFKL-HSZRJFAPSA-N 457.596 2.683 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031299 DRVAVUWXTIQZFL-HXUWFJFHSA-N 492.532 2.605 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869058634 KFMIDZQHJFCQAN-JOCHJYFZSA-N 495.967 2.534 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc([N+](=O)[O-])cc4)cn3CCO)CC2)cc1 1870687850 GCJRVUXQQQRLFO-UHFFFAOYSA-N 494.548 2.659 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951419 BAWNBEDUDNKORY-ZACQAIPSSA-N 479.574 2.953 10 10 JFCE COc1cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)cc(O)c1O 14642653 XGTBMCGGGJLOPS-UNMCSNQZSA-N 456.403 2.831 10 10 JFCE biogenic Cc1cc(/C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96925224 CGFKMAHASLNDFI-YVMONPNESA-N 464.566 2.603 10 10 JFCE Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1 209396930 HSWZVYUJURIBBT-FPOVZHCZSA-N 456.568 2.726 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 742939540 HYFUHRIHLCTEKK-UHFFFAOYSA-N 474.609 2.991 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)CC1 1447717529 ZMGXSRGRJVHSME-UHFFFAOYSA-N 455.471 2.718 10 10 JFCE CNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(Nc2ccccc2)c(F)c1N 1858181495 USOLAVMNUIPLPH-UHFFFAOYSA-N 457.531 2.813 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865029466 NZEPIUCDCBULSU-UTKZUKDTSA-N 470.570 2.717 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(OC)c3)CC2)cc1 1865574362 YTTCUEOVPMFUCV-HSZRJFAPSA-N 489.576 2.789 10 10 JFCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868004262 RBYGLWSYJWJLNA-UHFFFAOYSA-N 478.597 2.973 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2136264903 ODQLBXBQMVOQIA-FQEVSTJZSA-N 499.564 2.918 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2200962322 NOFJPRGKHXEQIE-FQEVSTJZSA-N 467.566 2.878 10 10 JFCE CCOC(=O)COc1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC 678065 YIUWSTBABBLVJM-CXUHLZMHSA-N 475.295 2.861 10 10 JFCE CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 33262728 CUMVTUFFDCBRBV-LJQANCHMSA-N 484.626 2.624 10 10 JFCE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724324 PVERWGPJCRJUMW-VQCBNXJZSA-N 492.648 2.603 10 10 JFCE COc1ccc(Br)c(CNCCn2cc(I)cn2)c1O 2236054982 MZVFOPKGQANKJZ-UHFFFAOYSA-N 452.090 2.754 10 10 JFCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(O)c(Br)c3)C(=O)N=C2S1 2297346441 DLFKHOGOGJUHLI-UHFFFAOYSA-N 471.358 2.802 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccs1 1413037 UDISLCJTMCWODQ-BARSGRSVSA-N 495.626 2.696 10 10 JFCE Cc1ccc(S(=O)(=O)Cc2noc([C@H]3C[C@@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1 209397005 HSWZVYUJURIBBT-TZIWHRDSSA-N 456.568 2.726 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC)c(OC4CCCC4)c3)CC2)cc1 743431991 CKMHROZHDWKSCO-UHFFFAOYSA-N 496.608 2.902 10 10 JFCE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 757220563 ZFFGBUHOYBFMNQ-NRFANRHFSA-N 476.485 2.748 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)CC1 1296400289 PTZWWIAHXIFIEX-PMACEKPBSA-N 450.583 2.899 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(F)cc3)CC2)cc1 1865514966 BTFBVUYYBKAAGQ-JOCHJYFZSA-N 477.540 2.920 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1866025029 PDIUZPIJZCVRMS-NRFANRHFSA-N 479.537 2.600 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868906461 PUADQHBIHUUWIW-SFHVURJKSA-N 479.606 3.000 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1869970132 ZKZDNSVDWAHLQI-UHFFFAOYSA-N 450.543 2.785 10 10 JFCE CCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870692662 IZKDUMXVAGJBTL-UHFFFAOYSA-N 457.571 2.921 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526077 DJAWCJZYQOLGAN-IBGZPJMESA-N 463.586 2.782 10 10 JFCE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)cc1 2293783534 LEYJSMJAAZEKNK-UHFFFAOYSA-N 489.278 2.919 10 10 JFCE COc1cc(N2CCCC2)ccc1C=C1C(=O)NC(=S)N(c2cccc(C(=O)O)c2)C1=O 2294288647 VUKLSIVGKYOQNI-UHFFFAOYSA-N 451.504 2.825 10 10 JFCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(=O)O)C3=O)c3ccccc32)c1 2296729550 XKCXKEBZTDNOFH-UHFFFAOYSA-N 467.528 2.636 10 10 JFCE COc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941555 NJHPXCSMBVCWJN-UHFFFAOYSA-N 497.554 2.727 10 10 JFCE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33386995 SRBSBXRCGDPOHQ-QGOAFFKASA-N 459.641 2.709 10 10 JFCE N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103124010 CADOMERFYJXOTR-YPCMJIQLSA-N 494.489 2.723 10 10 JFCE COc1cccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c1O 247907106 IRAAPVGUTDAVAD-HJJDGDTKSA-N 464.518 2.959 10 10 JFCE CNS(=O)(=O)c1ccccc1N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1 728195794 HIBAIOBWPBOATN-UHFFFAOYSA-N 481.574 2.559 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(C(F)(F)F)c3)CC2)cc1 743431987 CAPNYQBUXRMADQ-UHFFFAOYSA-N 464.488 2.899 10 10 JFCE O=C(O)CCC(=O)N1CCC2(CC1)COC(=O)N2c1ccc2c(c1)C(=O)c1ccccc1C2=O 821275479 GKVSUKHIHXEBNR-UHFFFAOYSA-N 462.458 2.645 10 10 JFCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 1749842460 MHHKTQURFPTOLY-QGZVFWFLSA-N 458.582 2.657 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1 1862252716 OYXCKTKYKZHUQO-SANMLTNESA-N 499.571 2.967 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@@H]2c1ccc(O)c(O)c1 1865034305 SWLKKOOHJRBYCM-OAHLLOKOSA-N 482.459 2.523 10 10 JFCE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136255471 GULLWBZUDNYCMQ-ZBFHGGJFSA-N 467.563 2.905 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812225 YJINWDXTWMXLJZ-DVESDOJUSA-N 474.608 2.724 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 35518333 VRQVHURPAUFUSS-QGOAFFKASA-N 488.547 2.810 10 10 JFCE COc1cccc([C@@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O 104879699 YPNWDNDKDSHHQD-HJJDGDTKSA-N 477.517 2.602 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(C(=O)O)c1OC 210403495 JRAMIGBBKKKCCJ-GDNBJRDFSA-N 494.572 2.805 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1741065154 VRGXJPWEEIHFNW-RDPSFJRHSA-N 467.662 2.813 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012448 AADLDRWSSOYXDG-NRFANRHFSA-N 493.564 2.867 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026424 NQMZZALNEHUBDS-JOCHJYFZSA-N 475.549 2.666 10 10 JFCE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865033564 CSKZCGBLIGHGGZ-AWEZNQCLSA-N 452.433 2.803 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccs3)CC2)cc1 1865320069 DJQPZZOKNFFKGQ-HXUWFJFHSA-N 465.579 2.842 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3ccc(-n4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)cc1 4004991 NYNNDZSAEYIPDR-UHFFFAOYSA-N 470.529 2.579 10 10 JFCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccccn3)CC2)cc1 20289365 DROMAFYGSKVGSV-DVECYGJZSA-N 493.633 2.836 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1540943156 NUYFGMJRQXZFQL-JOCHJYFZSA-N 454.619 2.666 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1 1634434391 BXLYBJTYVAQWGR-QGZVFWFLSA-N 458.584 2.732 10 10 JFCE CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 1860320809 WBDQCGGQRLBTGK-LJQANCHMSA-N 451.523 2.574 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccn(Cc4ccc(F)cc4)c3=O)CC2)cc1 1862025813 YLVIVLHULLVING-LJQANCHMSA-N 492.551 2.511 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1 1868648877 DMDPSZUBZAUFKD-UHFFFAOYSA-N 478.549 2.675 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2200971898 PVILIMOHTBVFPO-CCHLGUQTSA-N 477.558 2.659 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2332910425 SGDFJAHCDIFDPT-JYJNAYRXSA-N 465.547 2.706 10 10 JFCE CCN(CC)c1ccc(CN2C[C@@H](NC3Cc4ccccc4C3)C[C@H]2C(=O)NCCOC)cc1 20912630 OCGRSRLYXMUAAL-BDYUSTAISA-N 464.654 2.995 10 10 JFCE CC(=O)N[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1cccc(Br)c1 1438901379 MNFBDBCVKQPGHC-NRFANRHFSA-N 459.388 2.695 10 10 JFCE COC(=O)[C@@H](Cc1ccc(O)c(N=Nc2ccc(NC(=O)C(=O)O)cc2)c1)NC(=O)CCCCCN 1565517776 CNGPPLKGJCWFLD-LJQANCHMSA-N 499.524 2.550 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1565517875 NCWOMDGSURALIL-QFIPXVFZSA-N 492.557 2.773 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027357 HMBRXPBIWIVZQW-HXUWFJFHSA-N 482.924 2.799 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868667205 DOBYWHGPTYFOHB-VWLOTQADSA-N 458.562 2.882 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2053510748 QBUYASLXEHBUHY-HNNXBMFYSA-N 457.625 2.836 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2200965242 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COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3cc(OC)ccc3OC)CC2)cc1 2331205489 YSKYUPQOQJKTDT-UHFFFAOYSA-N 467.566 2.969 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(Br)cc3)CC2)cc1 11796498 MSORAYFCARBEBK-UHFFFAOYSA-N 496.427 2.730 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3cc(=O)n4c(nc5ccccc54)s3)CC2)cc1 33008851 STLKYHFKKUWPIM-UHFFFAOYSA-N 477.590 2.860 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1OC)C(=O)C1CCC1 35962389 XDEWZZNVRZALBX-QFIPXVFZSA-N 452.555 2.987 10 10 JFCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40314385 ZWUHJMBPGRZUDD-PKTZIBPZSA-N 476.639 2.970 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3oc4ccccc4c3CS(C)(=O)=O)CC2)cc1 726528702 BTZVUMNPQQLPQA-UHFFFAOYSA-N 471.579 2.538 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1760623689 TVMTYIJCFITMQI-WZONZLPQSA-N 471.625 2.644 10 10 JFCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864012530 CHGHKJBOVMRNLP-JOCHJYFZSA-N 491.592 2.668 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865029540 POSFSLDKTIWGSI-NRFANRHFSA-N 469.586 2.506 10 10 JFCE O=C(O)COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 2314929214 JDSVLEBDMXQJFJ-UHFFFAOYSA-N 484.964 2.898 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858958292 CBFYDNNZFRCEMK-UHFFFAOYSA-N 470.463 2.584 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010229 PVPADQYYZAGUMY-OAQYLSRUSA-N 492.532 2.810 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864018081 CCXGWAVNZYMZQD-HXUWFJFHSA-N 464.522 2.766 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864021973 SHQZHHWDCDVRKL-DNVCBOLYSA-N 456.543 2.503 10 10 JFCE CCC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868967592 JKWZKCWXTRDIGE-LJQANCHMSA-N 452.511 2.789 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3Cc3cccc(C)c3)CC2)cc1 1870365616 VHDYQMWRTWSXEY-UHFFFAOYSA-N 463.578 2.907 10 10 JFCE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 21113945 SUZJTRYGQVRDTH-JOCHJYFZSA-N 498.649 2.769 10 10 JFCE CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCc3ccc(N(C)C)cc3)ccc21 33263115 SLFDQTINHWEBSX-QHCPKHFHSA-N 484.626 2.767 10 10 JFCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)cc1 39826502 YJSHNOMQQYUMSV-GLWBLDOLSA-N 477.586 2.705 10 10 JFCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990299 URUIDOSOKIDNAX-RGEXLXHISA-N 490.651 2.903 10 10 JFCE CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)[C@@H]1CCS(=O)(=O)C1 103040468 CKGQMJGLVQGLRU-MLJKTZRHSA-N 459.014 2.577 10 10 JFCE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705931866 CWTAXKVFVSHIRK-UHFFFAOYSA-N 469.615 2.516 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864010820 XGEZGJCGCAYKRQ-FQEVSTJZSA-N 450.495 2.512 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871492637 HPLITMFBXHEMCW-MRXNPFEDSA-N 484.004 2.549 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871496094 CIDIFSLRTCBCRI-UHFFFAOYSA-N 490.656 2.891 10 10 JFCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCO)ncnc21 1875205494 QQMJUDKXKUAMCR-UHFFFAOYSA-N 452.559 2.607 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2136242963 CGJBEBLTMRAREQ-OAGGEKHMSA-N 465.547 2.563 10 10 JFCE C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3c(c2o1)C(=O)c1c(O)ccc(O)c1C3=O 13890833 MAUMGBVGKFVQCP-PFICNLQUSA-N 462.410 2.797 10 10 JFCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 33509038 YDDNNHWOLWMHRY-VBKFSLOCSA-N 462.597 2.689 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865028648 XGDVMYMNODOQRZ-HSZRJFAPSA-N 489.576 2.839 10 10 JFCE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866118817 PKKWYTFUVYNGJE-JWQCQUIFSA-N 452.599 2.849 10 10 JFCE CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180670781 OLPTUVOXMMZVEU-PMACEKPBSA-N 474.554 2.570 10 10 JFCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)NC3=O)c3ccccc32)cc1 2297056772 WFZKEJYHHICXNR-UHFFFAOYSA-N 467.528 2.708 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314827480 FYTJEWZFVMRAFH-UHFFFAOYSA-N 465.553 2.703 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328592398 KYEOBZXIHYOSOO-QFIPXVFZSA-N 482.562 2.867 10 10 JFCE O=C1c2ccccc2-c2onc3c(N4CCN(C(=O)c5ccco5)CC4)cc(NCCO)c1c23 9641804 YAHVVJYCBMTYOT-UHFFFAOYSA-N 458.474 2.999 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)cc2NC1=O 11857940 SZGXRYYLVPNPFU-GFCCVEGCSA-N 498.542 2.984 10 10 JFCE COc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859004336 PBQSSEYPGRHFNN-UHFFFAOYSA-N 469.519 2.727 10 10 JFCE COc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1CN1CCOCC1 13736135 VFIHIWGNVNDRIQ-UHFFFAOYSA-N 454.600 2.775 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 33408890 YFVWDGRVAPCHHP-SAPNQHFASA-N 476.624 2.815 10 10 JFCE COC(=O)CCCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40938535 CKGWRQXCCOOZGZ-YPKPFQOOSA-N 455.355 2.950 10 10 JFCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 728301211 LLZUXZCIQDDQMF-UHFFFAOYSA-N 451.548 2.844 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCSc2nccs2)[C@@H](C)C1 1286882989 HEEYJXALYDUJMU-INIZCTEOSA-N 457.629 2.960 10 10 JFCE CCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873569436 JBMCJOKSTXMTIJ-UHFFFAOYSA-N 466.586 2.943 10 10 JFCE O=C(O)CN1C(=O)SC(=Cc2cc(Br)cc(I)c2O)C1=O 2293783234 PEWZZZXRFVLMOM-UHFFFAOYSA-N 484.065 2.880 10 10 JFCE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314831789 RZMZSROUFVSCLK-VIFPVBQESA-N 473.370 2.725 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1 40316945 BPNZJYQMLDCEDQ-UXHICEINSA-N 497.455 2.944 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H](C)NC(=O)c3ccc(Br)s3)CC2)cc1 742919074 BXIJNELKFUMQSK-HNNXBMFYSA-N 495.443 2.576 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3cc(Br)c4c(c3)OCO4)CC2)cc1 742939479 HCGZLFWWJIRCKY-UHFFFAOYSA-N 491.386 2.808 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)C1 1690784659 WJHZVRFCWRLOGF-OAQYLSRUSA-N 498.653 2.702 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861933765 NBPGFWSLQIGVHH-OAQYLSRUSA-N 453.539 2.666 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030454 KAPMKVVRYAYZOV-OXQOHEQNSA-N 470.570 2.581 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(C)C)CC2)cc1 1868787167 RWZXRJKMLIPFCZ-NBGIEHNGSA-N 478.593 2.538 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2200953828 TZODJQGSVZCRRJ-IRXDYDNUSA-N 477.558 2.825 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4cccn(C)c4=O)CC3)cc2)c1 1860923132 GPEQZXIPYQFTSB-UHFFFAOYSA-N 473.577 2.662 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865027546 JLMRZSDGAUMNSD-PXAQALGRSA-N 490.560 2.981 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865846664 JJQQBKYBWFODBB-JOCHJYFZSA-N 451.523 2.673 10 10 JFCE COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2053574472 KULROHLNGIPXDO-UHFFFAOYSA-N 487.515 2.963 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2200951214 IWWWZHPBJTXZJD-YESZJQIVSA-N 477.558 2.754 10 10 JFCE COC(=O)c1ccc(N2N=C(C)C(=Cc3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2297307917 YYJDLTYMXPZLEI-UHFFFAOYSA-N 464.503 2.717 10 10 JFCE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401278 WJECGYCLBZTHNL-UHFFFAOYSA-N 472.592 2.915 10 10 JFCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 33812693 UYAWPDZZJALGAN-AQTBWJFISA-N 459.641 2.801 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 742919671 BZZOEIXQUSWOTH-JYFHCDHNSA-N 498.624 2.663 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)CC2)cc1 743285750 DTFANUFYDCHLOC-UHFFFAOYSA-N 479.503 2.931 10 10 JFCE O=C(O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 1084314124 WCTYAYJBJCDFBW-ZSOIEALJSA-N 463.215 2.718 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)CC1 1286861945 KIPPUAVOWJWOPE-UHFFFAOYSA-N 499.566 2.793 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5ccccc5F)CC4)ncn3)CC2)cc1 1858251910 KDMVXPBHMXJSLW-UHFFFAOYSA-N 476.556 2.913 10 10 JFCE COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859005010 DPWVIKOJYSSNSA-UHFFFAOYSA-N 483.546 2.656 10 10 JFCE CCN1CCC(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861963800 HYBZSGZMFCIJRC-SANMLTNESA-N 496.627 2.942 10 10 JFCE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864007194 HMXYESMEXRNPOW-JOCHJYFZSA-N 477.565 2.745 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864010025 IFKIMXJZRMLMRQ-OAQYLSRUSA-N 477.565 2.608 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864013143 QWKGCRFSDDLITP-OAQYLSRUSA-N 496.539 2.627 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2296706074 UBRXIIOQHCTBBD-INIZCTEOSA-N 487.651 2.747 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)cc1 2297352426 VSXCJDGOPHNHSK-UHFFFAOYSA-N 451.479 2.597 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)c1 210487667 ZTNWZKZIGIIAJU-LZYBPNLTSA-N 472.500 2.932 10 10 JFCE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc43)cc2F)C[C@@H](C)O1 730637607 FOVXHCVWESNBRB-IAGOWNOFSA-N 454.502 2.649 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-c4cnc(C)o4)cc3)CC2)cc1 743432033 FPSORMXJKXFGCE-UHFFFAOYSA-N 463.538 2.536 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nc(Br)c4ccccn34)cc2)CC1 1296400779 JOILWFXIAPHKSH-UHFFFAOYSA-N 456.344 2.695 10 10 JFCE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864010769 WJJZTEBXWJUFRL-QFIPXVFZSA-N 492.580 2.530 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867933171 JJADZSVBHBLQEI-FCHUYYIVSA-N 491.007 2.979 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(C)c4C)n(C)n3)CC2)cc1 1869969866 WNLKOSUEQCHSRK-UHFFFAOYSA-N 450.543 2.785 10 10 JFCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2314540871 AISOGACRPRMZSB-ZDUSSCGKSA-N 461.477 2.775 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)c(C)c1 1084151252 DNYZXXZPKLFILP-AQTBWJFISA-N 463.494 2.630 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCSc2nccs2)[C@H](C)C1 1286882991 HEEYJXALYDUJMU-MRXNPFEDSA-N 457.629 2.960 10 10 JFCE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705626521 ZDVPJINKNHGBAL-UHFFFAOYSA-N 462.598 2.627 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871550315 JVECOZAGTHSNER-UHFFFAOYSA-N 499.623 2.789 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2136241218 WKXHTDOSLRADNE-PMPSAXMXSA-N 465.547 2.706 10 10 JFCE COc1cccc(C=C2SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCC(=O)O 2293826945 YLZLWWDUVAUBIG-UHFFFAOYSA-N 450.519 2.766 10 10 JFCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297346355 YMUOVQRFCFHBDW-UHFFFAOYSA-N 484.515 2.536 10 10 JFCE O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2449127 MAPAYVUDVPENOE-NTEUORMPSA-N 457.464 2.912 10 10 JFCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 16906509 JDSVLEBDMXQJFJ-OQLLNIDSSA-N 484.964 2.898 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 1862072007 FBHSYEBAVQDUJT-HSZRJFAPSA-N 464.591 2.969 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864021349 AZQGTFBMEHKABS-HXUWFJFHSA-N 494.548 2.744 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cnccn3)CC2)cc1 1874643530 ZGZRNPZJDSYZIJ-DEOSSOPVSA-N 484.560 2.656 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2294229257 BRPACPJMUUNKFG-UHFFFAOYSA-N 475.320 2.832 10 10 JFCE CCCN1C(=O)c2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1 21877843 SQHGEEYSLSWKRQ-AREMUKBSSA-N 480.613 2.562 10 10 JFCE COCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33509071 BLHASKRJWDOWJJ-QJISPJEISA-N 474.608 2.832 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)Cn3c(=O)oc4ccccc43)c3ccco3)CC2)cc1 38598204 BYAMCOSFBTWEMZ-JOCHJYFZSA-N 476.533 2.876 10 10 JFCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 46009322 NQHDHWJTLFFDNT-UHFFFAOYSA-N 455.448 2.859 10 10 JFCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 101350193 BVLBBVXDSXYHPI-FOWTUZBSSA-N 469.504 2.523 10 10 JFCE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C1CCCCC1 138144591 QYXPJYWPGHOFPM-DUWWHKKTSA-N 479.508 2.533 10 10 JFCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 141144010 DLZCCWUIZSKSNO-VHEBQXMUSA-N 481.555 2.821 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc(-c5ccncc5)no4)C3)CC2)cc1 585223838 QRQJPLUYBSCMEE-FQEVSTJZSA-N 462.554 2.701 10 10 JFCE CC(=O)N1C(=O)[C@@H]([C@H]2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 606618894 BCYPOJMBVVIRLI-UYAOXDASSA-N 492.582 2.895 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCN(C)C)[C@H](C)C1 1722780215 FXCPCGWTBTYCTQ-OAQYLSRUSA-N 493.656 2.988 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(Cl)s4)C3)CC2)cc1 1858405501 MBXIUOPPLKSKDJ-HNNXBMFYSA-N 470.016 2.770 10 10 JFCE CC[C@](C)(NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866926060 DFTXPZDRDIYBQD-DXPJPUQTSA-N 496.585 2.900 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc21 1867058618 LRMYEWAEBGTSQK-URVUXULASA-N 454.482 2.681 10 10 JFCE Nc1ccc2c(NCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@@H]43)c3ccc(N)cc3nc2c1 22047739 YWYQMAHVCTUSQN-LGVFNWMJSA-N 493.637 2.806 10 10 JFCE in-vitro Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 35960664 KTHCWGPCZNHSLI-RUZDIDTESA-N 494.640 2.763 10 10 JFCE Cn1c(=O)nc(O)c2c1nc(N/N=C/c1ccc(O)cc1O)n2Cc1cccc2ccccc12 606671992 TWFQBJQBPQAEAK-BRJLIKDPSA-N 456.462 2.894 10 10 JFCE COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCc5ccc(N(C)C)cc5)CO[C@H]34)n2)cc1 1614388462 FQUMJDPXDXIXFA-ZGFBMJKBSA-N 461.566 2.955 10 10 JFCE COC(=O)c1c(NC(=O)C(=O)NCCN2C(=O)CSC2=O)sc(C)c1-c1ccc(C)cc1 1860761200 PTBLKSIKTQRRFT-UHFFFAOYSA-N 475.548 2.569 10 10 JFCE C[C@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C 2136242919 BYHLYMMDDRPKNR-ZBFHGGJFSA-N 467.563 2.905 10 10 JFCE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200954486 ZGKDCBAVGVBIGT-AWEZNQCLSA-N 489.516 2.810 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)C(=N)N21 2297345625 NEFHOHLQTIAUMT-UHFFFAOYSA-N 488.503 2.519 10 10 JFCE CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)ccc21 33023379 CIKCLSLUFBTHQX-UHFFFAOYSA-N 484.626 2.624 10 10 JFCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(=O)O)C1=O 33413475 MCUGPGDQZWWREZ-RVDMUPIBSA-N 460.581 2.915 10 10 JFCE CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 103040660 FCGHQSOTJDSEBF-PCJMVEANSA-N 452.623 2.705 10 10 JFCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)C1 1749841693 BDFHSINTOPZJAB-IBGZPJMESA-N 468.646 2.890 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5ccccc5OC)CC4)ncn3)CC2)cc1 1858251727 GOSZTZWHZPZZAJ-UHFFFAOYSA-N 488.592 2.783 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)C3)CC2)cc1 1858424966 HKVAUGMVJFRZGB-NRFANRHFSA-N 469.607 2.543 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008123 CQWXJJXPJSQUCC-XXBNENTESA-N 490.560 2.949 10 10 JFCE CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2C1=O 1873744609 IMBCEKHIWPDGGN-NRFANRHFSA-N 465.506 2.871 10 10 JFCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1 2053510803 SERQEZXFFZNOQD-UHFFFAOYSA-N 494.598 2.941 10 10 JFCE O=C(O)COc1ccccc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2297617260 VEQRCFVFBNBFTH-UHFFFAOYSA-N 461.293 2.744 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccccc4)c3)CC2)cc1 15778594 AQMKFCMTGZSUSJ-UHFFFAOYSA-N 452.536 2.853 10 10 JFCE CN1CCN(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3nccs3)SC2=S)CC1 35519771 LLLPFVDGQHXHTE-FOWTUZBSSA-N 475.621 2.524 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864016816 YACCGTAMYVHOJC-FQEVSTJZSA-N 469.501 2.904 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865035566 WYHBKINDBZNDNV-JOCHJYFZSA-N 489.576 2.920 10 10 JFCE CCc1sc(NC(=O)[C@@H](N)CC(N)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866106228 PSPKKOWWMJXMHD-NSHDSACASA-N 454.346 2.668 10 10 JFCE C[C@@H]1Oc2ccc(S(=O)(=O)Nc3nc(-c4ccc5[nH]c(=O)oc5c4)cs3)cc2NC1=O 71555630 ZBEWJGVLOMRXJU-VIFPVBQESA-N 458.477 2.765 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(-c4ccccc4Cl)c3C)cc2)CC1 1638587763 RRIGQLVHWISFLR-UHFFFAOYSA-N 452.946 2.828 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009121 ZQKLAXGXLHORRI-LJQANCHMSA-N 470.913 2.703 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864019533 LFCGZZCVKVOJIU-OAQYLSRUSA-N 488.548 2.714 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1 1864022755 QHKCJNKLIZMLEY-MRXNPFEDSA-N 498.502 2.943 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865030680 OPZQKFVMBXJHSE-JXFKEZNVSA-N 470.570 2.725 10 10 JFCE CC(=O)NCCC(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866801756 UNDKQKJZZQNUTG-DEOSSOPVSA-N 469.497 2.784 10 10 JFCE COC(=O)COc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870449433 ARYCVLJWWVBEBV-UHFFFAOYSA-N 495.551 2.918 10 10 JFCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NC[C@@H]2CCCO2)[nH]1 1871556660 UISGWNJABLMIDP-QHCPKHFHSA-N 489.624 2.948 10 10 JFCE CCN(CC)CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1875197854 VTSBLUUEHONQKW-UHFFFAOYSA-N 465.602 2.693 10 10 JFCE O=C(O)COc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c1 2314931544 ORYJYKLKZFOPPH-UHFFFAOYSA-N 484.964 2.898 10 10 JFCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 2314931615 PRFJMOYYZPONJH-UHFFFAOYSA-N 464.546 2.635 10 10 JFCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)N3CCCC3)CC2)cc1 9611889 CJNZIEWZOVKSCK-GCJKJVERSA-N 456.612 2.747 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 585200635 JUSCRHAHIHOQEB-UHFFFAOYSA-N 460.600 2.976 10 10 JFCE Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccn1 914903101 FDJPFOHBLPDFDI-NVXWUHKLSA-N 470.551 2.559 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864009243 CRZWYVUAPMNCOU-HXUWFJFHSA-N 459.462 2.591 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018550 NSWRKRUTFASWNK-FQEVSTJZSA-N 464.522 2.896 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865032261 ZFDNWUOXWDUHRR-OAQYLSRUSA-N 489.576 2.840 10 10 JFCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865034845 GECOWBLYKXVAEW-QFIPXVFZSA-N 492.576 2.667 10 10 JFCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873169721 UFMRGUGXOFKADJ-UHFFFAOYSA-N 451.615 2.667 10 10 JFCE CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546111 BVORAHYQZXMWTK-UHFFFAOYSA-N 491.640 2.953 10 10 JFCE COc1ccc(CN2C(=O)C(=Cc3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1 2053496880 OHZFBYRSACFUKA-UHFFFAOYSA-N 468.560 2.509 10 10 JFCE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 2136313007 UXVAJIDPTDAVHH-GOEBONIOSA-N 463.535 2.551 10 10 JFCE CN(CC(F)(F)Br)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200954058 WSUCPNNSIDVYJV-NSHDSACASA-N 453.280 2.980 10 10 JFCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 105774048 XOTOETHJQRKNPZ-LUGLUHMRSA-N 486.619 2.974 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Cc3csc(NC(=O)c4cccs4)n3)CC2)cc1 742926841 BYCPAGZIQBNOEA-UHFFFAOYSA-N 485.635 2.946 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009429 HCRMNPUTSSTPHV-QFIPXVFZSA-N 469.501 2.998 10 10 JFCE COCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546443 YOOVMQPSTUQSLX-QGZVFWFLSA-N 482.587 2.688 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)NC[C@H]1CCCO1 2297309977 BCFZPNUVGUYCGD-QGZVFWFLSA-N 490.491 2.742 10 10 JFCE CCOC(=O)C1CCN(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 2297358275 FSJSUQLXYIMYSJ-UHFFFAOYSA-N 456.351 2.900 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864009532 ACVYSGSBKMKIJD-BTYIYWSLSA-N 478.549 2.736 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029106 FZZFIXGEPQOVPV-NRFANRHFSA-N 476.533 2.789 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3C[C@H]3CCCO3)CC2)cc1 1870480138 RDLMVGGEVQLBSW-XMMPIXPASA-N 499.608 2.689 10 10 JFCE CN1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1874180073 YSXZNTQDWLAHGG-PMACEKPBSA-N 457.530 2.757 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2200958840 PNUDLVRJBWLXEE-CYJAXWMASA-N 477.558 2.515 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O 2314926862 UNODPNAPYHTPEH-UHFFFAOYSA-N 459.457 2.952 10 10 JFCE COc1ccccc1OCCCn1cccc1/C=C1\C(=N)N2N=C(N3CCOCC3)SC2=NC1=O 20356698 FJDLGGLOHRXMHV-FHGPUEEUSA-N 494.577 2.875 10 10 JFCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S 33812603 WESPSSNTMSIXNN-AQTBWJFISA-N 457.625 2.577 10 10 JFCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCOCC2)nc1 1860721369 QDLRSKYNRJNBTC-UHFFFAOYSA-N 455.740 2.768 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864012935 MNGQHTAZMWFGOI-OAQYLSRUSA-N 494.548 2.812 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(C(C)(C)C)n3)CC2)cc1 1869970712 ODQDFVXQQDMMLM-UHFFFAOYSA-N 450.547 2.719 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc5c(c4)OCO5)[nH]3)CC2)cc1 1871538739 PRWPNYXNIPDWDF-UHFFFAOYSA-N 491.596 2.981 10 10 JFCE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2040500166 BDVSQARLBDRXLB-UHFFFAOYSA-N 462.597 2.689 10 10 JFCE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2313548231 PJYRBUJNRONKGV-UHFFFAOYSA-N 476.405 2.972 10 10 JFCE COc1ccc(O)c([C@@H]2N[C@@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)c1 104879966 HUVQXPDRFLEIOL-GRXQJBFDSA-N 464.396 2.713 10 10 JFCE CC(=O)N[C@@](C)(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)c1ccc(S(C)(=O)=O)cc1 1557062985 AEBWPCVIMLZHEG-MZNJEOGPSA-N 459.612 2.563 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)c4nccn4c3)cc2)CC1 1616251652 HNYMIZQFYOYSSM-UHFFFAOYSA-N 456.344 2.695 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2OC)cc1 1858035195 JQPXJVXXUKRLBK-UHFFFAOYSA-N 460.600 2.730 10 10 JFCE CC[C@@](C)(NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862019147 SERAQJMFHPOZHK-AREMUKBSSA-N 468.598 2.760 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012473 AGKLVTAMBFZSKV-OAQYLSRUSA-N 496.539 2.891 10 10 JFCE COc1cc(OC)c2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866464147 WENMDGYENSCWQR-NRFANRHFSA-N 461.522 2.864 10 10 JFCE CC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869040011 NSKRFIAPDYRHQI-LJQANCHMSA-N 451.527 2.546 10 10 JFCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C(=O)O)c1OC 2314928779 BILSREMRUNZRAS-UHFFFAOYSA-N 489.487 2.856 10 10 JFCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1 39729257 JEWZURCSKWTTDZ-SFQUDFHCSA-N 452.561 2.809 10 10 JFCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989935 KEQGNPKVTHMYSD-BKAYVGFPSA-N 488.635 2.655 10 10 JFCE O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc32)SC1=S 206446829 YXNQKYDHKOVQPN-MSUUIHNZSA-N 455.473 2.798 10 10 JFCE CC(=O)N1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1286869456 UVJISSCTOOSCRY-UHFFFAOYSA-N 468.646 2.792 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc2)CC1 1561468667 JUSSKWMYXOMGIU-UHFFFAOYSA-N 457.474 2.574 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873169942 ISKQXGWBDJEWNR-UHFFFAOYSA-N 485.588 2.691 10 10 JFCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 2297505201 XVKKGWVUFLYEGD-UHFFFAOYSA-N 460.895 2.732 10 10 JFCE CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)o3)C2=O)cc1 27570555 VSKDIJSFXCKKJU-STZFKDTASA-N 479.514 2.795 10 10 JFCE CCN(CC)c1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 54421853 NHHJACFJBSKYON-OFNKIYASSA-N 458.580 2.889 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N21 96460487 AKLMJHBYAFQROB-AQECLBTLSA-N 498.542 2.926 10 10 JFCE COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 106533719 IDBWCJRPTYRRIH-OVCLIPMQSA-N 480.340 2.920 10 10 JFCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2C=O)[C@H]2CCS(=O)(=O)C2)cc1 256039222 XAJDKYNTVAZHOT-ZEQRLZLVSA-N 474.623 2.774 10 10 JFCE CC(C)N1C[C@@H](NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1=O 1860344714 AMXGBARXJVNTNX-KRWDZBQOSA-N 469.545 2.700 10 10 JFCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029817 WAGXCEZXBKXBEB-HXUWFJFHSA-N 496.951 2.787 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868578879 OWJXONTZINUZNW-LJQANCHMSA-N 463.003 2.944 10 10 JFCE CC[C@@](C)(NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868676637 NWXUCRXANGQZOH-JYFHCDHNSA-N 452.599 2.932 10 10 JFCE CCc1nc(N2CCC(c3ncncn3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869134330 DFSFLVSQRPYNEQ-UHFFFAOYSA-N 460.586 2.943 10 10 JFCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873166834 JAOSLZDBNCBTOX-UHFFFAOYSA-N 491.636 2.776 10 10 JFCE CC(C)c1ccc(C=C2SC(=S)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296885135 FCGHQSOTJDSEBF-MRXNPFEDSA-N 452.623 2.705 10 10 JFCE COc1ccc(C=CC(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 2313720528 QIOFCELIMBJJAU-UHFFFAOYSA-N 456.524 2.849 10 10 JFCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(=O)OC)cc1 39826501 YJSHNOMQQYUMSV-GAGXCIISSA-N 477.586 2.705 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1859007295 RPNZWZWVPAZKLF-UHFFFAOYSA-N 484.490 2.627 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864012260 WBKAOORBUZZPOW-JOCHJYFZSA-N 496.539 2.764 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1 1865027867 MQUPMHTZJZGOIS-GCJKJVERSA-N 476.533 2.578 10 10 JFCE O=C(N[C@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)O)OCc1ccccc1 2270530388 HUXZMWZXQSYTJH-CQSZACIVSA-N 463.295 2.820 10 10 JFCE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1 2297346357 YSGHHXBOHSDJIR-UHFFFAOYSA-N 487.563 2.733 10 10 JFCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O 2297365818 YWLSOCHLLAXBAQ-UHFFFAOYSA-N 455.898 2.847 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862260167 AUQBRIXISYNXNW-VNQWHQNRSA-N 477.561 2.835 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330529932 VDDPHPDHTVRGTA-UHFFFAOYSA-N 465.550 2.723 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(C(=O)O)c1OC 16906243 JRAMIGBBKKKCCJ-XNTDXEJSSA-N 494.572 2.805 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21 248380828 RHXQOOFRJNSQRQ-PWAHWCBZSA-N 480.517 2.923 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)N3CCC(NC(=O)c4ccoc4C)CC3)CC2)cc1 727598664 JUELKXOPCBUOBV-UHFFFAOYSA-N 483.613 2.713 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1 1862105394 RNRFKAATXNEDHR-QFIPXVFZSA-N 465.579 2.744 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864018297 HVMZKJDRBRDFMU-LJQANCHMSA-N 452.486 2.875 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864021443 BWEKWEOYNBFHKM-OAHLLOKOSA-N 484.475 2.959 10 10 JFCE CC[C@](C)(NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866926061 DFTXPZDRDIYBQD-QMTYFTJSSA-N 496.585 2.900 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2200971905 PVILIMOHTBVFPO-YWTKSJFSSA-N 477.558 2.659 10 10 JFCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(OC)c(OC)c2C(=O)O)SC1=S 2314929936 UXDXPNPCBLMFEU-UHFFFAOYSA-N 474.516 2.957 10 10 JFCE CCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(C)c3ccc(Br)cc32)SC1=S 1809480 UHUSNPYDCPAAIP-BUHFOSPRSA-N 455.355 2.950 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1 11796506 IEZBITKBJSVXRT-UHFFFAOYSA-N 482.002 2.629 10 10 JFCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 20332012 TZPTUZYCPQZJLU-CDMRAEPUSA-N 465.520 2.677 10 10 JFCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013020 ODGRFXVMROEEBA-FQEVSTJZSA-N 498.967 2.752 10 10 JFCE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261374 KYADKNYUIXRBBI-HOCLYGCPSA-N 467.563 2.905 10 10 JFCE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2314929851 SRFDLHSOMYAZAN-UHFFFAOYSA-N 459.461 2.604 10 10 JFCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 15047569 MKRKDUSBXFMSCZ-UEMWTREESA-N 477.589 2.571 10 10 JFCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 59314847 GTOSHNNZBFLRSA-UHFFFAOYSA-N 460.398 2.868 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1 1615105695 LQMHDOVBVBBRON-AHKZPQOWSA-N 470.610 2.520 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2)CC1 1634074720 RPHBVGOSYGAGFV-UHFFFAOYSA-N 457.534 2.932 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749776588 FCUTZAKVVHXQPR-LJQANCHMSA-N 458.582 2.873 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015114 JURPSRRDOXUNPY-INIZCTEOSA-N 490.438 2.740 10 10 JFCE CN(C)c1ccc([C@@H](NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2nccn2C)cc1 1866023652 FIOXKJIPAPRWHE-JOCHJYFZSA-N 490.520 2.676 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1C 2313548576 YXLXVZDGNWQFMS-UHFFFAOYSA-N 450.451 2.715 10 10 JFCE CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 103040732 HCEOBNGLOVHOTG-YLQKULKDSA-N 473.041 2.967 10 10 JFCE CC(=O)Nc1ccc(N2C(=O)/C(=C3\C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1 210164939 DBVXLMIELPBLQQ-ISLYRVAYSA-N 453.501 2.852 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cncc(Br)c4)CC3)cc2)CC1 1616252841 WROGIERVSHMWNY-UHFFFAOYSA-N 457.372 2.861 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccccn3)CC2)cc1 1862291057 FXOFLYIBPZKBIJ-XMMPIXPASA-N 462.525 2.919 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N(C)C)C(C)C)CC2)cc1 1868676532 RLHKJARCVXHDSW-BJKOFHAPSA-N 452.599 2.788 10 10 JFCE CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546785 VIMZFEZPHSCYRD-UHFFFAOYSA-N 496.612 2.521 10 10 JFCE CN(C)c1ccc2nnc(CCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2n1 1874179963 SZIPTBLGEYEPAJ-UHFFFAOYSA-N 454.490 2.927 10 10 JFCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(C)=O 2314928342 UIFVWDCYKFEAGL-KGLIPLIRSA-N 451.522 2.952 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 15040153 STIJQFGLGKROKR-PTNGSMBKSA-N 451.551 2.547 10 10 JFCE CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c1 20208061 UOFSISSNFHSMSN-JVDIEWMDSA-N 472.504 2.745 10 10 JFCE CCOCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33534792 RXNAXHLDLRCINA-GKWWPLGASA-N 488.635 2.936 10 10 JFCE CC[C@H](C(=O)OC(C)C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826351 DNUCTACSMWDDCN-VLUKHXRESA-N 462.549 2.810 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(F)(F)F)CC2)cc1 1861966176 WTBZLAQGOLGPDW-OAQYLSRUSA-N 493.482 2.559 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1 1868771538 XRYJOAYPNGEFCO-VWLOTQADSA-N 487.604 2.987 10 10 JFCE O=C1C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2040470308 RJJWTGHOIQUPTF-UHFFFAOYSA-N 482.587 2.517 10 10 JFCE O=C(Cn1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1 2313630832 VTTOAVHDEPFYSO-QGZVFWFLSA-N 471.604 2.880 10 10 JFCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323813591 DYUVZJRLFRBSNS-SECBINFHSA-N 479.761 2.728 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864007943 XWOYCUMLEXOLGG-LAUBAEHRSA-N 462.506 2.582 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865027559 JMADIHMQFYQJFR-HXUWFJFHSA-N 484.940 2.781 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515650 FUTIEFJUFLUKRM-UHFFFAOYSA-N 489.559 2.889 10 10 JFCE COCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873576062 HNNWKBAFCKOUNK-UHFFFAOYSA-N 466.586 2.799 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(=O)N(C)C)CC1 1508241081 ZVAPBAFGZAHZTD-UHFFFAOYSA-N 477.613 2.890 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864010681 APKVYZSNKHPZID-GCJKJVERSA-N 494.523 2.780 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865025803 DFZZCDOKOHDLRO-QHCPKHFHSA-N 489.576 2.839 10 10 JFCE CSCC[C@@H](NC(=O)c1cc(C)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866834939 IDKCECCVXBRRLU-GOSISDBHSA-N 462.531 2.984 10 10 JFCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)ccc1Br 2294118678 NQAAXGMUSQMUBJ-UHFFFAOYSA-N 460.284 2.854 10 10 JFCE COCCN1C(=O)C(=Cc2cn(CC(=O)OC)c3ccccc23)C(=O)N(c2ccccc2)C1=O 2297313843 UEJPINBUBPRCNH-UHFFFAOYSA-N 461.474 2.840 10 10 JFCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314400130 IJXADSGZISHJAE-UHFFFAOYSA-N 485.635 2.562 10 10 JFCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)n3)cc21 11857991 XQBXFTDXOYXKTN-UHFFFAOYSA-N 484.559 2.875 10 10 JFCE COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Br)cc3)=N2)c(OC)c1OC 20530872 GLYZDVACSARGGN-AWEZNQCLSA-N 462.300 2.822 10 10 JFCE O=C1/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 23190926 OKPQOTQPLVHEDS-KNTRCKAVSA-N 478.599 2.975 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3ccccc3OCc3noc(C)n3)CC2)cc1 742919660 BVECPEOZPPVXRQ-UHFFFAOYSA-N 451.527 2.518 10 10 JFCE C[C@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)Cn1c3c(c4ccccc41)CCC3)CC2 1615191518 GUQRDSINGLPJJE-HXUWFJFHSA-N 494.636 2.560 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861957128 ZNWOZNZYJMIASV-KPKJPENVSA-N 452.511 2.860 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862151298 XACQWKNFZXKCLR-ZIGLLSCRSA-N 477.561 2.819 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864009535 ACVYSGSBKMKIJD-YCRPNKLZSA-N 478.549 2.736 10 10 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CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC 35964014 VUUDVBRMVVMANP-JOCHJYFZSA-N 485.585 2.788 10 10 JFCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 95542734 QPIHIWQUGPTJFZ-XNTDXEJSSA-N 461.858 2.848 10 10 JFCE CC(=O)N(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(N)cc1 217306366 OKPREVGIQGZSEU-UHFFFAOYSA-N 459.300 2.780 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864013531 XVXLTOWGJWVOJP-ZHRRBRCNSA-N 492.576 2.795 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4ccccc43)CC2)cc1 9406251 ZIPIAVASCUUAGW-UHFFFAOYSA-N 473.577 2.591 10 10 JFCE COCCNC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21 33457488 FKZFNXXYGJAKTA-WOJGMQOQSA-N 466.519 2.664 10 10 JFCE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(Cl)ccc3O)CC2)c1 1452948158 VHMMZMNJKFKIQO-UHFFFAOYSA-N 450.944 2.965 10 10 JFCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018515 MTVJKFARCMUABL-RNODOKPDSA-N 498.967 2.750 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(=O)c4c(OC)c(OC)c(OC)cc4[nH]3)CC2)cc1 1866546172 GIAVTEUKPCAOKK-UHFFFAOYSA-N 453.495 2.525 10 10 JFCE CNc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1[N+](=O)[O-] 2053575126 ZBHVSLRMICMXMK-UHFFFAOYSA-N 486.531 2.996 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2200950805 CQELYDDQGNWZBQ-OAGGEKHMSA-N 477.558 2.515 10 10 JFCE CC1(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2200971891 OTIHDELJMRFKJH-INIZCTEOSA-N 479.574 2.907 10 10 JFCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C=O)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256039040 VKOANHLFMGMRKJ-ZEQRLZLVSA-N 474.623 2.774 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760581165 IHRVFJUJSJPNPU-VQTJNVASSA-N 458.582 2.730 10 10 JFCE CCOc1ccccc1OCC(=O)N[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862176613 NFQWFMXBTAQKOD-NRFANRHFSA-N 455.555 2.716 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1869111295 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COc1cc(Cl)c(OC)c(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)c4ccccc4C2=O)N2CCC[C@H]32)c1 247870297 CUJNFUYPFZNNDR-BHIYHBOVSA-N 480.904 2.759 10 10 JFCE COc1ccc(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl 1475177462 BAOSHSQFOAVGML-UHFFFAOYSA-N 456.948 2.885 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864020440 ZCPJGMCPXYAOQB-JOCHJYFZSA-N 491.592 2.668 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035240 OWHSCLPSMBUWGZ-FQEVSTJZSA-N 461.522 2.948 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](C)O)ncnc4n3CC(C)C)CC2)cc1 1875211088 ZUJLQRHPHZNYNO-GOSISDBHSA-N 466.586 2.851 10 10 JFCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)cc1 33919030 ZTSXXWLPHHFHQZ-VHEBQXMUSA-N 467.528 2.636 10 10 JFCE CC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101764294 WNAIKGMXWMHYSL-NRFANRHFSA-N 461.522 2.612 10 10 JFCE C[C@@H](O)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 102848303 BOWACKKTIDPYLS-COYFKBPASA-N 466.588 2.931 10 10 JFCE Cc1c2c(cc(=O)n1CCc1ccc([S@](=N)(=O)O)cc1)N[N@@H+](c1nc3ccccc3s1)C2=O 1082751762 HECYMGBJJHIHAI-UHFFFAOYSA-O 482.567 2.585 10 10 JFCE Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1C 1865027514 IYBMUGILPLPVQX-HSZRJFAPSA-N 489.576 2.800 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C\c4ccc5c(c4)OCCO5)n(C)n3)CC2)cc1 1869969810 STFSYFBOBMBDQH-WMZJFQQLSA-N 476.537 2.573 10 10 JFCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 1890593032 OZMSWZHMQOWDHO-YSIASYRMSA-N 454.596 2.650 10 10 JFCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)C[C@@H](C)O1 2040498360 IIBGDNXDVUXBRS-OWCLPIDISA-N 486.619 2.688 10 10 JFCE CCN1C(=c2sc(=C3C(=O)N(C4CCCCC4)N=C3C)n(C)c2=O)Sc2ccccc21 2297708376 AIGKGCYNPAJULT-UHFFFAOYSA-N 454.621 2.846 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15040103 LCCNVHKTSQOAST-ATVHPVEESA-N 477.589 2.660 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15047636 SPVSXMJTALEXCI-XBTXGSBDSA-N 498.007 2.921 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 1862162200 MDWPGYNAQVIMDT-UNMCSNQZSA-N 492.620 2.848 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864017643 QTTLKCYJVMFBCB-LJQANCHMSA-N 450.495 2.685 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865030682 OPZQKFVMBXJHSE-OXQOHEQNSA-N 470.570 2.725 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccncc4)[nH]n3)C(C)C)CC2)cc1 1868979825 PCUXGFUUKYUTQT-QHCPKHFHSA-N 462.554 2.584 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873170596 HIILFDCAKSHHKG-UHFFFAOYSA-N 463.626 2.810 10 10 JFCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2040499280 WNILLMSFDPSSJX-UHFFFAOYSA-N 462.597 2.771 10 10 JFCE CCN1C(=O)C(=Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)SC1=S 2297463914 JHJWKVGTOSEZCB-UHFFFAOYSA-N 479.605 2.874 10 10 JFCE Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc4[nH]c(O)nc4c3)C2=O)ccc1Br 108783524 ZLTSTHYLGFJTSH-XYOKQWHBSA-N 456.256 2.918 10 10 JFCE COc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)c1 210402750 MRZYVZPGWVFDJG-GDNBJRDFSA-N 474.516 2.957 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)CCC(=O)NCC3)CC2)cc1 257181364 MZUVHLZNUGVANH-QHCPKHFHSA-N 492.620 2.793 10 10 JFCE CC[C@@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862114710 FJPHJWCSJHDOKQ-RUZDIDTESA-N 453.539 2.868 10 10 JFCE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866832635 JJVHDMJOHIXTKV-IVZQSRNASA-N 474.488 2.896 10 10 JFCE CC(C)(C)OC(=O)N(CCNS(=O)(=O)CCOc1ccc(N)cc1)OCc1ccccc1 2044249706 LZVFXVPLPFLJKB-UHFFFAOYSA-N 465.572 2.936 10 10 JFCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)CC1 2296713574 LQDYDLGZIHYNQE-UHFFFAOYSA-N 457.625 2.754 10 10 JFCE COc1c(O)cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)cc1O 14642660 BXDRTHBTGNNTEW-LEWJYISDSA-N 456.403 2.831 10 10 JFCE biogenic COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Cl)cc4cccnc34)CC2)cc1 743431975 BFTNVOATRFRPKO-UHFFFAOYSA-N 467.957 2.774 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)CC2)cc1 1318217479 AGPBEIIRWDELAE-RUZDIDTESA-N 477.609 2.975 10 10 JFCE COc1cc(N2CCC(NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc(OC)c1OC 1858044166 JRKCVXXCOFILCJ-UHFFFAOYSA-N 473.492 2.598 10 10 JFCE CCC[C@H](NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862268886 FYHSEWXVEIGMDV-NRFANRHFSA-N 455.555 2.716 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864016825 YEFLTKIEISUHJG-HXUWFJFHSA-N 486.532 2.758 10 10 JFCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOC)[C@@H]2c1ccc(O)c(O)c1 1864017023 CMRBGMNRUVKQEG-HXUWFJFHSA-N 494.548 2.837 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871686183 FGCQNTWOHZASMQ-UHFFFAOYSA-N 479.585 2.633 10 10 JFCE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1)C(=O)O 2314930489 FAWVNESRGLBPLZ-NSHDSACASA-N 473.488 2.993 10 10 JFCE CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCC(Cc4ccccc4)CC3)[C@@H]2O)cc1 1616152393 NNFWKNVHZIWGPS-SEFGFODJSA-N 451.611 2.650 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 1705994593 PATQNDNAOAPXOT-SFHVURJKSA-N 472.609 2.948 10 10 JFCE CN1CCC[C@H](C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)C1 1860897942 TYICKYQCRHDGCF-QHCPKHFHSA-N 463.626 2.991 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864019769 QJHWKIUHYSRLFC-LJQANCHMSA-N 452.486 2.586 10 10 JFCE CN(C)c1ccc([C@@H](NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2nccn2C)cc1 1866026638 USOISGQHSMGEAC-JOCHJYFZSA-N 490.520 2.676 10 10 JFCE CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569053 JLZJFONZFINRQL-HXUWFJFHSA-N 464.570 2.695 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2136258711 LLWHFNKZFYKBIO-INIZCTEOSA-N 465.547 2.517 10 10 JFCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 2297351387 WAYRUWSLNLNMIP-UHFFFAOYSA-N 476.558 2.544 10 10 JFCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 2313557336 ANCLLCGOQXTWDA-UHFFFAOYSA-N 456.426 2.833 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4ccccc4Cl)n3)CC2)cc1 1869969565 QMRYQLDNVLETHT-UHFFFAOYSA-N 497.987 2.721 10 10 JFCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 20207928 YMUOVQRFCFHBDW-HSJXSQSUSA-N 484.515 2.536 10 10 JFCE COC(=O)c1ncn2c1C(=O)N(Cc1ccc(N(C)C)cc1)[C@](C)(C(=O)NC1CCCCC1)C2 21781705 RCLZHWBEMKICSY-VWLOTQADSA-N 467.570 2.599 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(C(=O)O)c1OC 210405438 FXAKAOWTMZBNML-PTNGSMBKSA-N 458.517 2.877 10 10 JFCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C(=O)NCc3ccccc3)CC2)c1 732525793 ITYZHSJZXAGFTN-UHFFFAOYSA-N 465.594 2.955 10 10 JFCE O=C(CCNCc1cc(Cl)ccc1O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860714911 CCGAHNFQDCUASY-UHFFFAOYSA-N 461.931 2.755 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867348651 YUDBQUZCEBKLEW-QFIPXVFZSA-N 453.543 2.734 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cccnc4)[nH]n3)C(C)C)CC2)cc1 1868975930 QRDHHTGIAWKWBN-HSZRJFAPSA-N 462.554 2.584 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCN3CCOCC3)CC2)cc1 1870436297 SPFRTZURMBAZDM-UHFFFAOYSA-N 498.668 2.936 10 10 JFCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871621351 XXTCBSGGUCDCBT-UHFFFAOYSA-N 490.612 2.883 10 10 JFCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n3cc(C)ccc3nc21 1875239434 LFJJOQXKUVDVMI-UHFFFAOYSA-N 489.576 2.965 10 10 JFCE CCc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)o3)C2=O)cc1 2297312807 VSKDIJSFXCKKJU-UHFFFAOYSA-N 479.514 2.795 10 10 JFCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 15047571 MKRKDUSBXFMSCZ-ZSAINHDTSA-N 477.589 2.571 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)cc1 742939144 AOWZIZZPUSINLA-UHFFFAOYSA-N 486.016 2.638 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C3CCN(C)CC3)c3ccccc3)CC2)cc1 1861967871 BHRHXMQFKMHRBU-XMMPIXPASA-N 450.583 2.543 10 10 JFCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864015201 LZUAGRKWJKZUNL-MRXNPFEDSA-N 490.438 2.870 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865032809 LMUYFFHVNIPMFN-QFIPXVFZSA-N 489.576 2.705 10 10 JFCE CC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869009569 FDZVZIBMRQCLDO-QFIPXVFZSA-N 478.593 2.806 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCN(C(=O)OC(C)(C)C)CC4)n(C)n3)CC2)cc1 1869969057 BVWRGPYWFYTLQV-UHFFFAOYSA-N 499.616 2.736 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cccc(Cl)c3)CC2)cc1 1872631549 XWDFWKBQRQFLTM-UHFFFAOYSA-N 485.928 2.640 10 10 JFCE CN1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 2294133744 GLXAOLSTAUCTFM-UHFFFAOYSA-N 459.252 2.818 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2)cc1 743432031 FONIOEFFCXFZGZ-QHCPKHFHSA-N 496.608 2.520 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864010594 OOIGPBOXRNDYBK-NRFANRHFSA-N 488.548 2.714 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4ccccc4)n3)CC2)cc1 1869970261 HANPTSQDFSEJKY-UHFFFAOYSA-N 456.510 2.645 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 20208310 HCXSAOGSLRSDOP-VOPKFQMRSA-N 459.465 2.866 10 10 JFCE CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)[C@H](C)C1 1596212175 DYLSESBADKNUGK-WBVHZDCISA-N 450.634 2.868 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028654 XJDCEQSFUYQMPP-DYESRHJHSA-N 496.951 2.923 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865033262 VVTZJJDQPNWCAD-AVRDEDQJSA-N 490.560 2.583 10 10 JFCE CCCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868776878 VRCZGEOKQZUYRI-QFIPXVFZSA-N 488.535 2.936 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868815462 CPIJAOZAPOKTLH-CYFREDJKSA-N 468.573 2.652 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053493317 OFYYIWLNOYWOBK-HOTGVXAUSA-N 488.635 2.854 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCCC3)nc12 2053496696 HMIOXQIWFLOCPU-OAHLLOKOSA-N 456.593 2.983 10 10 JFCE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)cc21 11857935 ZPBLSPNPMDRACG-UHFFFAOYSA-N 498.542 2.620 10 10 JFCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)c1 1860720520 GHCVKDFAKDMRKQ-UHFFFAOYSA-N 461.931 2.673 10 10 JFCE CCC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674585 CORXCYIKHTUJJC-DNQXCXABSA-N 452.599 2.932 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1 1868771537 XRYJOAYPNGEFCO-RUZDIDTESA-N 487.604 2.987 10 10 JFCE CC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869048430 VCDTWHXCGUHJOU-NRFANRHFSA-N 477.565 2.520 10 10 JFCE CCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870575031 PNQVNQYBQVEESF-UHFFFAOYSA-N 484.626 2.822 10 10 JFCE CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/NCCCOc3ccc(CC)cc3)C2=O)cc1 59383133 AADGBDPPBUIEOR-PGMHBOJBSA-N 465.506 2.951 10 10 JFCE CC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586691741 HEBCMWZFXTZBDW-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4cccn(C)c4=O)CC3)cc2)c1 1860843238 NUIVEMYYZXOQJA-UHFFFAOYSA-N 459.550 2.666 10 10 JFCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011795 LAYJDEZRRILTGD-NRFANRHFSA-N 497.983 2.677 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865031128 ZJLKFUWEZXKQBD-QRWLVFNGSA-N 470.570 2.582 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032753 JXZNODBEXRMDLI-LJQANCHMSA-N 484.940 2.645 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865390698 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FXWDPARFAXUFIC-SJORKVTESA-N 479.574 2.907 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]21 248380827 RHXQOOFRJNSQRQ-AJXYBCOZSA-N 480.517 2.923 10 10 JFCE CC(=O)NCCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699396 RCNZRTCIKOSOLY-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 919944585 WGGVFLILPGLLOR-HXUWFJFHSA-N 466.582 2.981 10 10 JFCE CC(=O)N1CCN(c2ccc(CN=c3c([N+](=O)[O-])c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 1186373591 OFAYLFDLDBARPD-UHFFFAOYSA-N 450.455 2.754 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864013162 RFLNKTSPVSGPGR-GCKBUFEISA-N 494.592 2.678 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864015026 IISXINJMTUMCIP-FOIQADDNSA-N 478.549 2.809 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC)[C@@H]2c1ccc(O)c(O)c1 1864016631 UJJIEOMQGPRKTA-LJQANCHMSA-N 464.522 2.829 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865026883 CDAXFELYYSPONB-QHCPKHFHSA-N 492.576 2.967 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028656 XJDCEQSFUYQMPP-UTKZUKDTSA-N 496.951 2.923 10 10 JFCE O=C(C[C@H]1CC(=O)c2ccccc21)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867240358 MERINXJQOISEOI-QRQCRPRQSA-N 482.492 2.638 10 10 JFCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498963 QWYFJJCLHNGGPZ-CQSZACIVSA-N 485.635 2.704 10 10 JFCE C[C@H](C(=O)Nc1ccc(N)cc1)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2106749266 ASSGZXNXEHGCJV-MRXNPFEDSA-N 465.595 2.947 10 10 JFCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(I)c(O)cc1O 1084207767 AEHSXQIQRZIFQB-UITAMQMPSA-N 484.246 2.673 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCOCCO)sc(C)c1-c1ccc(Br)cc1 1860759336 XQQODJIIWNETGL-UHFFFAOYSA-N 499.383 2.726 10 10 JFCE COc1ccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1 1866285301 UGHNSHNNLUMZHX-QHCPKHFHSA-N 472.549 2.868 10 10 JFCE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866832637 JJVHDMJOHIXTKV-OYHNWAKOSA-N 474.488 2.896 10 10 JFCE CS(=O)(=O)CCC(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867018469 CXQVEFAZVQIAOH-HSZRJFAPSA-N 490.537 2.693 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869970122 YSCIMEADQPFDKP-AWNIVKPZSA-N 476.537 2.589 10 10 JFCE COC(=O)COc1c(I)cc(C=C2SC(=S)N(C)C2=O)cc1OC 2297577649 KSJCHKKGKMQISP-UHFFFAOYSA-N 479.317 2.683 10 10 JFCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccc1[N+](=O)[O-] 10672648 VGENEYUZIBNMOB-LICLKQGHSA-N 457.489 2.955 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])s3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447087 GSTQDEKZCLGHCU-PGNDWZGLSA-N 498.586 2.834 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21 102467568 SCAGHMOQKUCNKV-ZJFZOOHOSA-N 472.479 2.666 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 248049494 MZNCNBZFVNSLQX-SDHOMARFSA-N 478.593 2.757 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864017863 XLGVBVIQQGGMRO-QFIPXVFZSA-N 491.592 2.999 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865031003 WZCOYNBRFXRNJU-OAQYLSRUSA-N 483.613 2.906 10 10 JFCE COc1ccc(CCn2cc(OCCO)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870365006 TXKFEYNEOQVIGM-UHFFFAOYSA-N 493.604 2.802 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871545118 KXAFPVXZNPOJEI-JOCHJYFZSA-N 479.560 2.524 10 10 JFCE COCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875220245 MBBWIAXVNMLWIQ-UHFFFAOYSA-N 496.612 2.887 10 10 JFCE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C)C2=O)CC1 2040498046 ASGWKDWJDTVYRE-UHFFFAOYSA-N 472.592 2.613 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 2294133898 LKQDVXRDDIDMQU-UHFFFAOYSA-N 489.278 2.978 10 10 JFCE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 33450958 FQGGWSFVNROTAC-RVDMUPIBSA-N 458.565 2.669 10 10 JFCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1 33863177 IWELBDUTRDYPIS-GHRIWEEISA-N 457.625 2.754 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1705996436 UMNUYLPKHIMYPY-HNNXBMFYSA-N 471.606 2.944 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1862287153 HWYAJAUOCGMAKP-OAQYLSRUSA-N 470.551 2.776 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008942 VQFMGWZOENPOOG-HSZRJFAPSA-N 491.592 2.722 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009937 FYZNVRNFEBRCMA-HXUWFJFHSA-N 464.522 2.693 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2 1864010548 NIZMANCBNCMGDC-FQEVSTJZSA-N 492.532 2.581 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017416 LQFRAIJVUVQAIH-IBGZPJMESA-N 484.940 2.957 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865031808 OITRBQANMDFYLQ-IBGZPJMESA-N 464.522 2.517 10 10 JFCE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1868017063 MMGAXDIZARTMNQ-UZUQRXQVSA-N 492.576 2.779 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C4CC4)on3)CC2)cc1 1868973667 JEESNRWTCBIDGH-XMMPIXPASA-N 490.560 2.956 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2040498205 FIQNEOXXLBMKHB-UHFFFAOYSA-N 496.614 2.825 10 10 JFCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 2297552006 HAPSVHMNLUNZFH-UHFFFAOYSA-N 476.558 2.544 10 10 JFCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(I)c(O)cc1O 2313558423 AEHSXQIQRZIFQB-UHFFFAOYSA-N 484.246 2.673 10 10 JFCE CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)C(=O)N2 504688777 ONEXPVCGLIADDB-VKUKUQHZSA-N 497.551 2.824 10 10 JFCE biogenic CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3C(=O)O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084580587 CVOYKBVPDJQOQW-QFIPXVFZSA-N 491.569 2.563 10 10 JFCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc21 1464146895 JGSBQZYJWYKKSQ-KRWDZBQOSA-N 457.596 2.986 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864008245 GOFFDVFXLMBGAZ-QHCPKHFHSA-N 491.592 2.804 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864017404 LLCAAGJZQCBZBM-NRFANRHFSA-N 486.532 2.623 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864017869 XNEYHYIWCRETLK-HXUWFJFHSA-N 494.548 2.573 10 10 JFCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018233 GHFFHSBSQXBMFE-HXUWFJFHSA-N 498.967 2.752 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccc(OC)c3)CC2)cc1 1865574363 YTTCUEOVPMFUCV-QHCPKHFHSA-N 489.576 2.789 10 10 JFCE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(-n2cccc2)c1 1866616252 VMZSVVQTVXLZBY-HSZRJFAPSA-N 479.492 2.982 10 10 JFCE CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875223045 XJQCQFXPJZKXNR-UHFFFAOYSA-N 452.559 2.871 10 10 JFCE Cc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15047615 KXTWUAFJCYRMQV-GPLLRDDGSA-N 461.590 2.871 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 20897054 SUCCTODRYSQQOF-UHFFFAOYSA-N 455.492 2.770 10 10 JFCE COc1ccc(CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 102290477 KPGZQDRZZZDKAI-OYRHEFFESA-N 485.606 2.915 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)ccc1O 210728180 JBHNHXZULZAZCE-FOWTUZBSSA-N 452.554 2.753 10 10 JFCE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[C@@H](C)O)cc1 746424537 CDKMJRRLUAKUPP-HYBUGGRVSA-N 469.607 2.789 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)CC1 1595944827 OXAZIYSLLHGMTP-MRXNPFEDSA-N 450.634 2.868 10 10 JFCE CC(=O)CCc1ccc(OCCC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1638587770 RZQVEVQNTNNQMX-UHFFFAOYSA-N 451.567 2.962 10 10 JFCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)N2CCCCC2)cc1 1858074036 AMDGLADRZIURJR-HSZRJFAPSA-N 484.622 2.912 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862261299 HTXAIIUNQNKKIB-WYIJSASQSA-N 465.550 2.739 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)cc1 1862283358 OPMBCCIVXQVSNX-UHFFFAOYSA-N 485.497 2.677 10 10 JFCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864022581 PHCPRDGOZWQESE-SFHVURJKSA-N 450.495 2.728 10 10 JFCE CCN1CCN(c2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3CC)CC1 1873545114 LVCZUYSZAYKYNE-UHFFFAOYSA-N 477.613 2.564 10 10 JFCE CCC1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 13309590 KURBZXMNPPHYKQ-OLRBKWTISA-N 481.501 2.657 10 10 JFCE COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)N1CCOCC1 33337452 SZVZCVVOPUZMMJ-DEDYPNTBSA-N 487.603 2.889 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1301648520 PYTRELDGSARUNI-QHCPKHFHSA-N 468.646 2.963 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868875816 QNUBPXUKAFRDRR-WZONZLPQSA-N 477.565 2.762 10 10 JFCE COC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874966 RRQQEZKKUSHUKG-UHFFFAOYSA-N 464.522 2.892 10 10 JFCE CCc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)OC)c(OC)c3)C(=O)NC2=S)cc1 2294229010 DHGMHVHSFNSNTI-UHFFFAOYSA-N 454.504 2.641 10 10 JFCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 2314931319 FAQLJRAEJDIOGH-UHFFFAOYSA-N 464.546 2.635 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccc(N(C)C)cc3)C(C)C)cc2C[C@H]1C 9118220 OIHMXOIIDNFQEI-OSPHWJPCSA-N 486.638 2.669 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959399 QVYFKFGDMMLXLS-LHHJGKSTSA-N 496.501 2.984 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(OC)c3OC)CC2)cc1 1860333337 YCMHKOLDHUBIGX-NFBKMPQASA-N 453.539 2.581 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007079 FRRSJUCULFSRRJ-QFIPXVFZSA-N 494.548 2.836 10 10 JFCE CCCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658884 WPWGAGWNYVIFDA-UHFFFAOYSA-N 484.641 2.690 10 10 JFCE CC(C)c1ccc(C=C2SC(=S)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296885134 FCGHQSOTJDSEBF-INIZCTEOSA-N 452.623 2.705 10 10 JFCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1 2297358573 LGMOVBWDJHLCGD-UHFFFAOYSA-N 477.359 2.993 10 10 JFCE COc1ccc(CNc2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066643 ZXFZQCOCFBHRHX-ZDLGFXPLSA-N 498.586 2.862 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 504693162 TXDFHSXTKSUUGO-XBJOPHNTSA-N 475.545 2.620 10 10 JFCE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1286857054 NOHFZIBVEHQCOH-QFIPXVFZSA-N 481.645 2.911 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1869111297 AHRKPTSIACJPLH-VXKWHMMOSA-N 498.672 2.546 10 10 JFCE CCc1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872631623 ZTRBUGRDJANJEL-UHFFFAOYSA-N 479.537 2.549 10 10 JFCE CCCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040499446 YFVWDGRVAPCHHP-UHFFFAOYSA-N 476.624 2.815 10 10 JFCE CCCN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314432733 FAXKJTSZMMIVJL-UHFFFAOYSA-N 472.592 2.649 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])s3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084366066 GSTQDEKZCLGHCU-HXUWFJFHSA-N 498.586 2.834 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2C)C1=O 1206096687 FNAOBDBVHXAXRF-UHFFFAOYSA-N 451.527 2.942 10 10 JFCE COc1cccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)c1 1859616623 UWVVBOVMILZQBT-UHFFFAOYSA-N 467.437 2.974 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012321 XRODOGQYPJBESJ-HXUWFJFHSA-N 450.470 2.763 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012933 MNASOTCNDAPKOE-OAQYLSRUSA-N 496.539 2.627 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1 1869050377 YDAMCOSLCYURIC-JWQCQUIFSA-N 481.593 2.736 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C3CC3)C2=O)cc1 1873164639 KOWLTEFGRSJODH-UHFFFAOYSA-N 490.585 2.774 10 10 JFCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15048339 RXOQCKARWAVSKA-PGEKAQRJSA-N 473.370 2.725 10 10 JFCE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)[C@H](c2ccc(Cl)cc2)C1 35962876 JPMYWCREADPVIM-DEOSSOPVSA-N 498.027 2.927 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)CC2)cc1 248144065 RPIOYHQPSHLUJG-UHFFFAOYSA-N 489.502 2.717 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1749797481 RTASSSYPVNYSCZ-INIZCTEOSA-N 458.617 2.679 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864015741 DTBQRNMKCKNYOX-YLJYHZDGSA-N 476.533 2.971 10 10 JFCE CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366342 QGOAPSYCMCNHKR-UHFFFAOYSA-N 451.571 2.865 10 10 JFCE CCN1/C(=C/C=c2sc(=C3SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(OC)cc21 252634456 WNWKSAGEFJABLJ-NXNUOMNASA-N 491.685 2.791 10 10 JFCE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc43)cc2F)C[C@H](C)O1 730637608 FOVXHCVWESNBRB-IRXDYDNUSA-N 454.502 2.649 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 1760613583 YSSNRLNGYCCWGJ-HXUWFJFHSA-N 468.646 2.791 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(F)c(C)c4)C3)CC2)cc1 1858398736 CUSQDDPONRSLOO-SFHVURJKSA-N 461.559 2.502 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1 1864009274 DGRKWVSEMMEMPH-NRFANRHFSA-N 474.521 2.552 10 10 JFCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(I)c1OCC(=O)O 2297559101 NCTUWDVDTGHTRU-UHFFFAOYSA-N 465.290 2.594 10 10 JFCE COC(=O)c1cc(Nc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2N)cc(C(=O)OC)c1 40705613 SMTKDIKMSYEXHY-UHFFFAOYSA-N 492.536 2.711 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)CC1 1154271604 SOPGDFRNTBSUJO-QFIPXVFZSA-N 454.958 2.678 10 10 JFCE CC(=O)N1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2O)CC1 1359364297 NXOLNHRGHFOFAG-UHFFFAOYSA-N 463.542 2.526 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861964802 DPCBOWRQMGOWNX-VWLOTQADSA-N 482.600 2.552 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864008797 SJLXEIPFUJKHAQ-HXUWFJFHSA-N 483.956 2.618 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864008936 VKVWZWFAJCJNHE-IBGZPJMESA-N 454.914 2.847 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864012635 FQGPSLXRNBSANT-SZNDQCEHSA-N 496.539 2.626 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864013163 RFLNKTSPVSGPGR-VQXSCYTKSA-N 494.592 2.678 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865031002 WZCOYNBRFXRNJU-NRFANRHFSA-N 483.613 2.906 10 10 JFCE CCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542136 PXDUICLJVSMMKW-RPBOFIJWSA-N 482.625 2.585 10 10 JFCE CC[C@@](C)(NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869047393 AHFPUQPSHJKYJN-HHHXNRCGSA-N 491.592 2.910 10 10 JFCE O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180528 CNNODKSACHUJBH-LJQANCHMSA-N 457.442 2.894 10 10 JFCE O=C(COc1ccccc1C=C1SC(=S)N(N2CCOCC2)C1=O)Nc1nccs1 2314487643 GXMOOULGTJTLBK-UHFFFAOYSA-N 462.578 2.609 10 10 JFCE CCOC(=O)C(=O)[C@@H](C(=O)OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O 105679481 LCUDDFAELKJQGV-HKUYNNGSSA-N 467.430 2.685 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019199 WCLQKTKMKXEXLT-FQEVSTJZSA-N 461.522 2.994 10 10 JFCE COC(=O)c1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865923495 SWLWJOGAGBOQHG-FDDCHVKYSA-N 475.549 2.531 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1O 2297327052 OIIIHWPVBUHYFU-UHFFFAOYSA-N 464.215 2.672 10 10 JFCE CCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 33918872 NXXTXAOQTUQKLA-BMRADRMJSA-N 457.625 2.838 10 10 JFCE CC(=O)Oc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)cc(C(=O)Nc2ccc(O)cc2C(=O)O)c1 58867064 WXKVENIMWKWGNR-UHFFFAOYSA-N 494.412 2.924 10 10 JFCE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 102429172 XXFOTCCNLVOCLQ-QGMBQPNBSA-N 460.508 2.779 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H](c3ccccc3)N3CCSCC3)CC2)cc1 746846120 APZLDZRPKRBNOS-DEOSSOPVSA-N 454.640 2.724 10 10 JFCE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 789918210 KCXUQNRPSZVNKV-UHFFFAOYSA-N 485.610 2.958 10 10 JFCE CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 920624004 CBMXNZFCLQJJJJ-UHFFFAOYSA-N 458.426 2.922 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 1861979231 XEIPKQOQZBPBGJ-IFMALSPDSA-N 482.600 2.900 10 10 JFCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029884 XPLURKSLBUXXJZ-JOCHJYFZSA-N 490.560 2.849 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccc(Cl)cc3)CC2)cc1 1870670207 VTULBFOLBSNVPD-UHFFFAOYSA-N 496.995 2.745 10 10 JFCE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C=Cc2c(C)nn(C)c2C)c(O)nc1=O 2052133370 SHERMKVHQFWAHN-UHFFFAOYSA-N 450.543 2.928 10 10 JFCE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2293420509 IFUUOYUPNQHTTH-UHFFFAOYSA-N 458.517 2.999 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCCC1 2294193129 VWVRDGDAZDAVPU-UHFFFAOYSA-N 464.565 2.762 10 10 JFCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(OC)c1 2297345344 OJSMBEMHRMFRAY-UHFFFAOYSA-N 487.563 2.733 10 10 JFCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314541513 MYJXSZIECPETEP-ZDUSSCGKSA-N 461.477 2.775 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35518525 DVRABQFLFXTHPJ-QGOAFFKASA-N 487.559 2.600 10 10 JFCE COC[C@H]1[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCCN1Cc1ccccc1 1614594497 GLGZKXGIKHGYEJ-FTJBHMTQSA-N 450.627 2.982 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016352 MZHHFENPDGXPJE-IBGZPJMESA-N 464.522 2.736 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCOC(C)C)=C(N)O3)cc1 1864021308 AHFWGEAWWNDYNI-FQEVSTJZSA-N 494.548 2.743 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026828 BFMAFLOBGFCCIG-NRFANRHFSA-N 496.951 2.923 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865029120 GITVPTVHICAIEQ-JOCHJYFZSA-N 495.624 2.955 10 10 JFCE CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OS(C)(=O)=O 20205592 BUKNLDZWLOQKCJ-GXGXXEIJSA-N 454.555 2.753 10 10 JFCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 33436269 ZYZZLRAPOYNURH-QGOAFFKASA-N 491.591 2.697 10 10 JFCE NC1=NC(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccc(Br)cc32)S1 54201901 AADCCGWTQGJSNT-FOCLMDBBSA-N 457.309 2.734 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCCC(=O)O 210465406 GEIYQEFGKXMBRM-CYVLTUHYSA-N 480.608 2.862 10 10 JFCE CN(C)c1ccc(CN2C[C@@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 1616153575 ORDJQUDXZOVJHW-ICSRJNTNSA-N 460.531 2.557 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 1858368390 URPCPLZXONKOGP-GOSISDBHSA-N 483.565 2.532 10 10 JFCE CCc1cc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1 1861903928 DOSUCPFONUGVDC-HXUWFJFHSA-N 475.593 2.970 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1864021610 QOCBNAVYNZUUDF-BTYIYWSLSA-N 492.532 2.527 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865027691 QPXHFVDUZHDMGQ-QFIPXVFZSA-N 476.533 2.517 10 10 JFCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 2294082213 SHDBUEASFZJNBD-HXUWFJFHSA-N 456.539 2.689 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350780 SVHQLMVUYLZRPI-UHFFFAOYSA-N 495.546 2.686 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccccc2F)SC1=S 2314837449 SIDJZOSQNYQXMX-NSHDSACASA-N 465.553 2.702 10 10 JFCE CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OC)C2=O)c2cc(Br)ccc21 40937858 NLIXYHSUTGQAPE-YPKPFQOOSA-N 455.355 2.950 10 10 JFCE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NCc2ccccc2)cc1 43252716 KJDPULORBIFBHR-VJGNERBWSA-N 498.583 2.911 10 10 JFCE Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 96459950 QYLBSTADWCEYKK-YHIMZFEVSA-N 468.516 2.835 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861989959 QWQSNOMNFWVQIH-OAQYLSRUSA-N 468.573 2.511 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(C(=O)OCC)CC1)[C@H]2c1ccc(O)c(O)c1 1865026006 HTWYOPJPQXCPIQ-FQEVSTJZSA-N 484.553 2.509 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(N4CCCC4=O)c3)C(C)C)CC2)cc1 1868609350 UEAPNTHKNKNVNE-RUZDIDTESA-N 478.593 2.925 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccccc3)N(C)C)C(C)C)CC2)cc1 1868676534 RLHKJARCVXHDSW-RPWUZVMVSA-N 452.599 2.788 10 10 JFCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2296545315 GLOYXUFQPRVFGC-UHFFFAOYSA-N 497.554 2.727 10 10 JFCE COC(=O)N1CCN(C(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)CC1 2296881319 AEOBLICEEIIXSB-UHFFFAOYSA-N 484.397 2.561 10 10 JFCE CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)o3)C2=O)c1 6573629 XHUKILWKVODHLP-LCYFTJDESA-N 452.204 2.949 10 10 JFCE O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9335160 MICMEEHITDDTJA-UHFFFAOYSA-N 453.410 2.509 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3Cl)CC2)cc1 12025565 VTBRFCCIWPPEMO-HNNXBMFYSA-N 477.970 2.624 10 10 JFCE CCN(CC)C(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 20289284 OXVJYAJGAKUZMJ-GCJKJVERSA-N 458.628 2.993 10 10 JFCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)o2)cc1 34982612 UTJCMOZABSJTSF-NGWPFTMJSA-N 450.563 2.974 10 10 JFCE CCN(CC)c1ccc(CN(CCOC)C(=O)COC)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37422465 JHUZEIDGCWQQSH-UHFFFAOYSA-N 494.610 2.931 10 10 JFCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 102543579 JFHMMQSKGGIEGV-DSITVLBTSA-N 478.593 2.900 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210682668 YTRRISBAAAZBRO-LFIBNONCSA-N 452.554 2.753 10 10 JFCE COCc1nc(OC)c2c(C)c(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)sc2n1 742920243 HTNMFIOBNCCUPF-UHFFFAOYSA-N 485.610 2.715 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 743285603 AVJCZNYMUOIMOC-UHFFFAOYSA-N 451.571 2.875 10 10 JFCE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2c(C)nn(C)c2C)c(O)nc1=O 822888139 SHERMKVHQFWAHN-SEYXRHQNSA-N 450.543 2.928 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1 1615105700 LQMHDOVBVBBRON-XNMGPUDCSA-N 470.610 2.520 10 10 JFCE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1OC 1858957893 XKVGEXKVHRRUJU-UHFFFAOYSA-N 499.545 2.622 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccn1C 1865347192 INSHOIQEOMFLLH-QFIPXVFZSA-N 476.581 2.602 10 10 JFCE CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868787182 SAXZLKFPJNNKQG-HYBUGGRVSA-N 478.593 2.682 10 10 JFCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=N)N21 2297346034 XYUYVAXQQWWZQT-UHFFFAOYSA-N 484.401 2.915 10 10 JFCE COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 207344081 FSHZLVYCSONBPA-CLTKARDFSA-N 496.520 2.707 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(C(=O)O)c1OC 210403189 IMLUUKNTCMZZEH-ZROIWOOFSA-N 489.487 2.856 10 10 JFCE CC(=O)c1cn(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c(=O)n(C)c1=O 1165842423 WHOMTEVHYQEOPJ-UHFFFAOYSA-N 458.312 2.803 10 10 JFCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1859479275 DAEYDOSTKSXMLQ-GFCCVEGCSA-N 463.581 2.908 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3I)CC2)cc1 1861912567 MEIMBEFHEUSCEZ-HNNXBMFYSA-N 493.345 2.767 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861940503 CIZLWXCTTKGJNY-QFIPXVFZSA-N 499.633 2.895 10 10 JFCE CCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861980710 PRSXHZPGWHSRQI-RUZDIDTESA-N 488.588 2.567 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864015116 JVHMNIDBLBZJAP-CYBMUJFWSA-N 466.441 2.923 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1 1864016817 YACCGTAMYVHOJC-HXUWFJFHSA-N 469.501 2.904 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026007 HTWYOPJPQXCPIQ-HXUWFJFHSA-N 484.553 2.509 10 10 JFCE CCCCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660272 RRGHJLMIFVVMIN-UHFFFAOYSA-N 484.641 2.690 10 10 JFCE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)[C@@H](c2ccc(Cl)cc2)C1 35962878 JPMYWCREADPVIM-XMMPIXPASA-N 498.027 2.927 10 10 JFCE O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206707576 YTNFBWGRIMSLLO-JXAWBTAJSA-N 478.592 2.770 10 10 JFCE CN(C)c1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867878897 VQINZBYCSPJPSK-DEOSSOPVSA-N 451.615 2.892 10 10 JFCE COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642825 NMSZPOINMFHIHC-DEOSSOPVSA-N 464.566 2.589 10 10 JFCE Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)NC2=S)cc1 2313556265 TWBWWBBDKLZVOH-UHFFFAOYSA-N 488.569 2.640 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)[C@@H](C)C1 1690835163 WNSVIDPKCWMYHO-IBGZPJMESA-N 477.613 2.934 10 10 JFCE CCCC[C@@H](NC(=O)c1cccn(CCC)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862016412 BAQTWYBTIMFLER-HSZRJFAPSA-N 468.598 2.904 10 10 JFCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011797 LAYJDEZRRILTGD-OAQYLSRUSA-N 497.983 2.677 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015335 OVJIWFLUDFIFDU-OAHLLOKOSA-N 484.475 2.868 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865032133 WJCRFNQRDRZQIV-HXUWFJFHSA-N 478.549 2.814 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cnccn3)CC2)cc1 1874643531 ZGZRNPZJDSYZIJ-XMMPIXPASA-N 484.560 2.656 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC1CCCC1 2313624592 WLRXBQUGNYFCAV-UHFFFAOYSA-N 460.490 2.955 10 10 JFCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@H]4C(N)=O)c4ccccc34)[C@@H]21 1565524175 DVIPVRMDQBGLCJ-BKMJKUGQSA-N 471.561 2.655 10 10 JFCE CCC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862306058 ZZRMAJUIOBSACH-QFIPXVFZSA-N 469.582 2.889 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019148 HBKUYFHWLYJLKH-BLVKFPJESA-N 484.940 2.691 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2 1865030157 DPSRCIVNHYVVJN-HXUWFJFHSA-N 486.569 2.619 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)cc1 2294095535 WDMASQHMUMOTOT-UHFFFAOYSA-N 452.204 2.949 10 10 JFCE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 33450960 FQGGWSFVNROTAC-PTNGSMBKSA-N 458.565 2.669 10 10 JFCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 33812189 CXFDXNQIDZPBGC-GBBOCIJVSA-N 460.625 2.895 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 39729117 UEFPMYFSMGKIDC-GHRIWEEISA-N 476.624 2.815 10 10 JFCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCCOc1ccccc1OC 205945666 MWNIOUGCLWBLAM-XQNSMLJCSA-N 453.495 2.912 10 10 JFCE CCN(CC)C(=O)c1ccc(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742939216 BQSJCGFWVXSSQG-UHFFFAOYSA-N 467.614 2.799 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1296400884 KRIIAVHSDBWWFL-UHFFFAOYSA-N 456.587 2.929 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864013946 JRDRBAXVNHNFLA-IBGZPJMESA-N 458.559 2.750 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864016756 WUENRAIONQRNML-FQEVSTJZSA-N 477.565 2.744 10 10 JFCE Cc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867896885 OYDNNVXJVBGNBC-RPBOFIJWSA-N 466.626 2.804 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C)C2CCN(C)CC2)n1 1867955144 LCAPXYMXENLMIY-UHFFFAOYSA-N 454.619 2.531 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4cccc(OC)c4)n(C)n3)CC2)cc1 1869969237 KARXIGMKXAABQU-UHFFFAOYSA-N 450.543 2.730 10 10 JFCE COc1ccc(N2CCN(C(=O)/C=C/c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 1871336415 MUCGSRNYNBFKQA-AWNIVKPZSA-N 455.580 2.842 10 10 JFCE CN1CCN(c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])CC1 2313548232 PKMPBQJBNKEKTA-UHFFFAOYSA-N 469.885 2.666 10 10 JFCE Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 65116653 IOHRFXZIMDIFSW-UHFFFAOYSA-N 475.596 2.887 10 10 JFCE COc1ccc(N2CCOCC2)c(NC(=O)/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 207412049 ZKGSWMGOPPUXDV-CLTKARDFSA-N 468.510 2.929 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)cc1 248265482 XQLPUGUATHQKFA-JYEBCORGSA-N 465.550 2.568 10 10 JFCE CC(=O)Oc1cccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867291468 MBSQHZYRVJUGNO-XMMPIXPASA-N 466.582 2.751 10 10 JFCE CCCN1C(=O)C(=CNc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)C(=O)NC1=S 2040475490 KHGHSVKZUMWEHK-UHFFFAOYSA-N 488.591 2.754 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 2296907954 JCLKBOUXFOIRQJ-UHFFFAOYSA-N 476.942 2.949 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252676362 WWFMKJGFBZKTFQ-QFIPXVFZSA-N 463.559 2.570 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 915744355 ACDLPWGMTLCXIE-UHFFFAOYSA-N 479.625 2.953 10 10 JFCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018610 PCTGDAAOUFZIBG-NRFANRHFSA-N 496.539 2.891 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865027886 MZZURXCTQPGTHR-UTKZUKDTSA-N 496.951 2.923 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCc3ccc(F)cc3)CC2)cc1 1870365411 PTAVTOYJEQUJGR-UHFFFAOYSA-N 481.568 2.932 10 10 JFCE COc1cc(N2C(=O)NC(=O)/C(=C/c3cnc(-c4ccccc4)nc3)C2=O)cc(OC)c1OC 6603443 OVVODLRIYGIOSS-MFOYZWKCSA-N 460.446 2.836 10 10 JFCE O=C(O)COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1 210428370 YOFABRLJRAUZNB-NVNXTCNLSA-N 459.461 2.604 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)CCc4ccccc4OC)C3)CC2)cc1 1858391705 VWDMEUAXBWTXIH-OAQYLSRUSA-N 451.567 2.834 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3F)cc2)cc1 1859008167 HDBMCGOYVZOYDX-UHFFFAOYSA-N 471.510 2.787 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1861933005 ZXDIAPHFIDPQAD-UHFFFAOYSA-N 471.554 2.578 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1 1864022754 QHKCJNKLIZMLEY-INIZCTEOSA-N 498.502 2.943 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865033393 YRWKHQWFODWWFL-GCJKJVERSA-N 490.560 2.832 10 10 JFCE CC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927174 LYBCAMRHJQDVIA-HNAYVOBHSA-N 482.558 2.510 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H]3CCCCO3)CC2)cc1 1869050378 YDAMCOSLCYURIC-LOSJGSFVSA-N 481.593 2.736 10 10 JFCE COCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871515161 MQZJERMDEVHGKU-UHFFFAOYSA-N 453.522 2.570 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523427 OJRKQAXGAPQRHM-UHFFFAOYSA-N 483.020 2.999 10 10 JFCE COc1ccc(C2(CNC=C3C(=O)NC(=S)N(c4ccccc4)C3=O)CCOCC2)cc1 2296606603 YYKJUXSZMXCCIS-UHFFFAOYSA-N 451.548 2.665 10 10 JFCE O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726725619 DEBJJXUOHUBXSP-UHFFFAOYSA-N 474.508 2.848 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865027131 NNIHCGVJAWVJBM-QFIPXVFZSA-N 478.549 2.908 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515983 LTPSBNRGRIPOSH-UHFFFAOYSA-N 480.592 2.875 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(Cc2ccccc2)CC1 2136240995 SUPRUKUOECPVCS-FQEVSTJZSA-N 455.555 2.878 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)O 2313558399 ZTJFLANXJPSDFM-UHFFFAOYSA-N 493.241 2.727 10 10 JFCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C 2313683325 XLVLGAKGPCOUTG-UHFFFAOYSA-N 457.556 2.789 10 10 JFCE COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 1084491670 IBEKYGWMVMWESK-GHXNOFRVSA-N 478.885 2.871 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865029715 UCRMKMBNQFHJIE-HXUWFJFHSA-N 458.559 2.574 10 10 JFCE COc1cc2[nH]c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2cc1OC 1866543070 FCDNSAHCDDNGKH-QHCPKHFHSA-N 461.522 2.864 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866860921 UZWXVRFIGVENBP-HXUWFJFHSA-N 494.507 2.717 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3coc(C)n3)CC2)cc1 1869020656 WVYVKMLYVFQVBB-XMMPIXPASA-N 480.540 2.750 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2136261339 KPADCCDYGSWEAW-HNNXBMFYSA-N 465.547 2.707 10 10 JFCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(O)c(Br)c3)C(=N)N21 2297346009 WDBMRRCNTHYZBC-UHFFFAOYSA-N 457.331 2.555 10 10 JFCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1 2314930469 DQOSYASKQRKIFI-UHFFFAOYSA-N 473.488 2.995 10 10 JFCE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 38598334 SLBJEXMUSQAXRP-UHFFFAOYSA-N 459.490 2.694 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)cc1 95841214 VZUJYIXHHPBWKR-FYJGNVAPSA-N 479.514 2.850 10 10 JFCE O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C(=O)N1C1CCCCC1 247379619 IZFLEZPIHDKSHR-OYSWMMLKSA-N 464.518 2.742 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1565517873 NCWOMDGSURALIL-JOCHJYFZSA-N 492.557 2.773 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(=O)n(Cc4ccccc4)c3)CC2)cc1 1861993535 SIPUQCOSNMUGIB-UHFFFAOYSA-N 488.588 2.762 10 10 JFCE NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016737 WMAKLNCXCMDDMK-OAQYLSRUSA-N 499.527 2.539 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(CO)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027365 HSYQOTCMPGLVKT-QHCPKHFHSA-N 490.560 2.826 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027487 IBNJFXZAMSKCMJ-QFIPXVFZSA-N 476.533 2.513 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865029872 XFBFSSCSXPWMIX-PGRDOPGGSA-N 490.560 2.914 10 10 JFCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCO)ncnc21 1875215101 VUYHWHNOWKJUAN-UHFFFAOYSA-N 452.559 2.607 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1891953028 PFDKMXZMCRZLDN-NRFANRHFSA-N 463.987 2.851 10 10 JFCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 2294093842 WKJOEDCBINCFEH-UHFFFAOYSA-N 489.278 2.978 10 10 JFCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 2314827430 DUOZEJMBKDPFPB-UHFFFAOYSA-N 474.516 2.948 10 10 JFCE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33812647 XILNTYJVUBIFMY-AQTBWJFISA-N 459.641 2.801 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 256038914 UHCFKTNNYVWNCI-VQTJNVASSA-N 453.004 2.835 10 10 JFCE CC[C@](C)(NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862019148 SERAQJMFHPOZHK-SANMLTNESA-N 468.598 2.760 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccn(Cc4ccccc4)c3=O)CC2)cc1 1862022052 XYRNDQLVVUGEPV-UHFFFAOYSA-N 488.588 2.762 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590548 GPENURXRKDQLNW-UHFFFAOYSA-N 499.623 2.789 10 10 JFCE COc1cc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(Br)c1O 2053497390 IBQCSZKQOZKAGC-SECBINFHSA-N 464.384 2.552 10 10 JFCE CN(CC1CCCCC1)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4ccccc4O)CC3)CC(=O)N2C1 2080409647 IZHDUXVFNQKDIY-GOTSBHOMSA-N 468.642 2.728 10 10 JFCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OC 2314769151 OGPHXJSUTHLAKG-UHFFFAOYSA-N 466.581 2.707 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc2N(C)C1=O 11857898 MMLVYBWAKFRZSX-LLVKDONJSA-N 486.531 2.800 10 10 JFCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450170 WJECGYCLBZTHNL-LFIBNONCSA-N 472.592 2.915 10 10 JFCE CCN(CC)c1ccc([C@@H]2CC(c3c(O)[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 101456230 SDLNIJIOBHLZLB-QFIPXVFZSA-N 475.549 2.834 10 10 JFCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 919944584 WGGVFLILPGLLOR-FQEVSTJZSA-N 466.582 2.981 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862151225 VDDPHPDHTVRGTA-VZUCSPMQSA-N 465.550 2.723 10 10 JFCE COCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870479211 FBIXVQFTSXLVMQ-UHFFFAOYSA-N 487.597 2.546 10 10 JFCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 2297345317 LWMRVGLQMDSKON-UHFFFAOYSA-N 457.537 2.724 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccc(F)cc4)n3)CC2)cc1 9817531 DFHIMDLNXPGCKP-UHFFFAOYSA-N 490.582 2.983 10 10 JFCE O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(Cc2ccc(N4CCCC4)cc2)CC3)CCN1 14744237 XPMKRLUJRFGRHJ-UHFFFAOYSA-N 498.631 2.662 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 40314080 UHCFKTNNYVWNCI-UXHICEINSA-N 453.004 2.835 10 10 JFCE COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCC(=O)O 95926117 YLZLWWDUVAUBIG-JYRVWZFOSA-N 450.519 2.766 10 10 JFCE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705590282 GVHIWBMVRFEDJB-NDEPHWFRSA-N 491.636 2.650 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc[nH]1 1865595714 DIOJSWAJQMOKEB-NRFANRHFSA-N 462.554 2.592 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccccc3)N(C)C)C(C)C)CC2)cc1 1868676533 RLHKJARCVXHDSW-DNQXCXABSA-N 452.599 2.788 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2053512324 XBNKXRJBNULJFX-UHFFFAOYSA-N 457.625 2.612 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc5c(c4)OCCO5)n(C)n3)CC2)cc1 2331398865 STFSYFBOBMBDQH-UHFFFAOYSA-N 476.537 2.573 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 15934961 ZINXXQDHBXQAQK-UBQQHRPYSA-N 458.477 2.510 10 10 JFCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 16908214 WCLWLEUIEYGENE-LFIBNONCSA-N 473.488 2.995 10 10 JFCE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 20568912 OCEHVAJEUUVYQC-CNSVBDKNSA-N 451.523 2.613 10 10 JFCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 65075795 WACQGWLKLAYQSY-UHFFFAOYSA-N 494.573 2.686 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254617645 QTKRDRHLJOQNED-QHCPKHFHSA-N 493.585 2.579 10 10 JFCE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)CC1 1741041023 HJQVWHQAPVLDOH-NRFANRHFSA-N 480.660 2.626 10 10 JFCE CCC[C@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862015932 ASCITPHNLUEAGL-QHCPKHFHSA-N 468.598 2.760 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009411 GWBZXKCIMGSXJW-HXUWFJFHSA-N 452.486 2.815 10 10 JFCE CC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868793652 QYLSVKUYAZHJFN-HRFSGMKKSA-N 478.593 2.682 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868934067 ZVMQWTWKAPFZMI-INIZCTEOSA-N 483.519 2.841 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871715180 KCIAGQLYYKZGFD-UHFFFAOYSA-N 463.586 2.958 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1O 2297329030 HYIDQYJOTAAFIU-UHFFFAOYSA-N 482.205 2.811 10 10 JFCE COc1ccccc1OCCCn1cccc1C=C1C(=N)N2N=C(N3CCOCC3)SC2=NC1=O 2297352599 FJDLGGLOHRXMHV-UHFFFAOYSA-N 494.577 2.875 10 10 JFCE C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c(Cl)c2)C1=O 12025312 KJVJMJCPMHWWPS-YCRPNKLZSA-N 493.029 2.751 10 10 JFCE O=C(Cn1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1 33631626 VTTOAVHDEPFYSO-RONKMWSCSA-N 471.604 2.880 10 10 JFCE CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 729784586 RGDXVNFBCQPSCB-UHFFFAOYSA-N 462.550 2.906 10 10 JFCE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1138104376 UTFOVBPJPMGNCE-KRWDZBQOSA-N 451.523 2.876 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(S)n3-c3ccc(F)cc3)cc2)CC1 1154271494 QGJRVWRLFRJMRP-UHFFFAOYSA-N 453.543 2.899 10 10 JFCE COC(=O)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)o1 1860826515 FPADAIFOODPZRF-MSUUIHNZSA-N 472.500 2.659 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1 1864010061 OLPNVFGMLSEZNV-KSFYIVLOSA-N 492.532 2.664 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864014477 VXFPYPPHVPCHGJ-HXUWFJFHSA-N 471.602 2.665 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864019662 OKXYLKXDAPBLJY-NRFANRHFSA-N 473.533 2.929 10 10 JFCE COc1ccc(OCCn2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1 1870120054 OYAVFCFFWCRDCL-UHFFFAOYSA-N 479.533 2.613 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873164145 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476.533 2.524 10 10 JFCE COc1ccc(-c2nc(CC(=O)NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868654345 URKKCMSSHNHTPA-UHFFFAOYSA-N 478.549 2.675 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 1868981779 OSIRASYYKVJOSV-NRFANRHFSA-N 495.605 2.946 10 10 JFCE COCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2053510498 GDWKQCSOCFVBFD-UHFFFAOYSA-N 484.607 2.549 10 10 JFCE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 2136313008 UXVAJIDPTDAVHH-HOCLYGCPSA-N 463.535 2.551 10 10 JFCE COC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C)C3=O)c3ccccc32)cc1 33374322 AKYXYOCVSVGCHN-ISLYRVAYSA-N 467.528 2.660 10 10 JFCE CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 101104729 DIHGVLAPUMIMMO-SDQBBNPISA-N 490.353 2.685 10 10 JFCE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 210434251 XDSMUSFPWKZABP-DHDCSXOGSA-N 459.461 2.604 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017794 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CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865034849 GEZISEMKDWXFLL-OAQYLSRUSA-N 493.564 2.557 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CCCN2C(=O)c3cccnc3C2=O)N2CCCCC2)cc1 1866244599 PMBNHNKVBAKAET-QFIPXVFZSA-N 463.582 2.867 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868859402 SATOXARJGOCRMY-VWLOTQADSA-N 469.582 2.917 10 10 JFCE COC(=O)COc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870447349 MELIINAVRGQWIY-UHFFFAOYSA-N 495.551 2.918 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1O 2296740209 LJSHBLLBEUVZAB-UHFFFAOYSA-N 478.242 2.980 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 2297350729 HKFGQJJRLASSNT-UHFFFAOYSA-N 473.514 2.754 10 10 JFCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=CN1CCN(C(=O)c2ccco2)CC1 2297463374 CDJFXQQVGOIRJT-UHFFFAOYSA-N 479.345 2.676 10 10 JFCE CC(=O)Nc1ccc(N2C(=O)C(=C3C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1 2314531707 DBVXLMIELPBLQQ-UHFFFAOYSA-N 453.501 2.852 10 10 JFCE COc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933169 UQARIRIDRXOEPY-LBPRGKRZSA-N 494.572 2.642 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 20208445 ILZGRGJHYJCHNY-XKBVOMFJSA-N 470.374 2.526 10 10 JFCE CCN1C(=O)/C(=C2/SC(=S)N([C@H](C)C(=O)OC)C2=O)c2cc(Br)ccc21 35110549 LOWMTYQCKHUVHD-POSNJMFHSA-N 455.355 2.949 10 10 JFCE O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 39858007 NLFODEKJUQRENB-UHFFFAOYSA-N 470.481 2.952 10 10 JFCE CCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989671 NQVAHVFVSHWEOG-SXGWCWSVSA-N 460.581 2.570 10 10 JFCE CCN(CC)c1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 59074393 BIOKMHKCNLTDCD-QHCPKHFHSA-N 472.611 2.990 10 10 JFCE CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)CC1 1749889387 PFLDKEVGGPYVAT-FYYLOGMGSA-N 484.645 2.703 10 10 JFCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1858693314 GKPPRSPLKSQANG-OAHLLOKOSA-N 456.484 2.995 10 10 JFCE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCC(c4nnc5ccccn45)CC3)CC2)cc1 1860391157 RFMFBTRDNOJEQQ-UHFFFAOYSA-N 476.581 2.573 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc(C)c1-c1ccc(OCC)cc1 1860762856 TYJLTNALZLWZFB-UHFFFAOYSA-N 489.594 2.686 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012352 YDLLOVABUUGCOP-JOCHJYFZSA-N 478.549 2.725 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864021687 FOTKPZGOJQFJQW-OAHLLOKOSA-N 484.475 2.816 10 10 JFCE O=C(CNC(=O)c1cc(-c2cccnc2)[nH]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868158235 RQAVUKBBNZWWTR-UHFFFAOYSA-N 451.442 2.616 10 10 JFCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2314540870 AISOGACRPRMZSB-CYBMUJFWSA-N 461.477 2.775 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328599306 WPLNRGZTTSVOOA-QHCPKHFHSA-N 464.522 2.956 10 10 JFCE CN1CCCc2cc(CN3CCc4c(c(C(=O)N5CCOCC5)nn4Cc4ccccn4)C3)ccc21 14743698 YYSLOYFSTLRILK-UHFFFAOYSA-N 486.620 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COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 44441238 ODOQENNSFCVMTO-UHFFFAOYSA-N 452.964 2.622 10 10 JFCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)cc1 95536203 ZVEWHOGRJIICDK-XLNRJJMWSA-N 456.974 2.625 10 10 JFCE COC(=O)[C@@H](C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044641 MERWPAHQXDQGCY-VOIUYBSRSA-N 460.534 2.856 10 10 JFCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)n(C)c(=O)n4C)cs2)c1 1859573892 FUZIWKSJRWNUSS-UHFFFAOYSA-N 460.537 2.819 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861919747 FQMIEQVUHCZEOA-NRFANRHFSA-N 472.567 2.804 10 10 JFCE CCc1cccc(C)c1N1C[C@H](C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862187333 IWFVKWJHWFINRW-IFMALSPDSA-N 492.620 2.772 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1865028375 SXTWDEHNGCXMHP-QHCPKHFHSA-N 492.576 2.803 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030078 BVWJBINGZAWEEM-NRFANRHFSA-N 496.539 2.580 10 10 JFCE O=C(C[C@@H]1CC(=O)c2ccccc21)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867240356 MERINXJQOISEOI-OYHNWAKOSA-N 482.492 2.638 10 10 JFCE COC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870875208 YTHLLEUXBIANOI-UHFFFAOYSA-N 467.522 2.765 10 10 JFCE COCCOCC(=O)Oc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874735828 UXFDMKUMJCQGGA-UHFFFAOYSA-N 456.539 2.659 10 10 JFCE CN1CCN(c2ccc(C=C3C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)CC1 2294229411 RGVFYEVIFFEMKB-UHFFFAOYSA-N 475.368 2.625 10 10 JFCE CCOc1cccc([C@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O 15240231 ZDMUFUSVYQUKEI-KSYXXAMZSA-N 484.574 2.813 10 10 JFCE CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 20604414 ZJHLCFSLKMVWTR-UHFFFAOYSA-N 475.611 2.756 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1 263629273 WWECCSPVZJZOMC-HSZRJFAPSA-N 493.633 2.686 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2C1 725444510 UEMXWCCARULQGK-RGVLZGJSSA-N 466.519 2.525 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1 1864009437 HJWCGZSBPBDLCC-QFIPXVFZSA-N 494.548 2.693 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(O)c(O)c1 1864010339 KYBNSDGVHBRETQ-LJQANCHMSA-N 458.559 2.801 10 10 JFCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865026863 BTWLMWAQNRVQEV-QHCPKHFHSA-N 489.576 2.510 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865035005 JBHKPSWLZKLTPQ-HXUWFJFHSA-N 498.580 2.763 10 10 JFCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(C)=O 2314928344 UIFVWDCYKFEAGL-ZIAGYGMSSA-N 451.522 2.952 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066670 DWWSPUVWCNNVFN-APSNUPSMSA-N 472.523 2.602 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N21 96459477 RESWLEWQDHRJIW-GQCVOSMTSA-N 470.532 2.766 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc(-c5ccncc5)no4)C3)CC2)cc1 585223840 QRQJPLUYBSCMEE-HXUWFJFHSA-N 462.554 2.701 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccnc3Cl)cc2)cc1 1859008703 YGYVBDVVGMYWTI-UHFFFAOYSA-N 474.926 2.767 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(OC)c3OC)CC2)cc1 1860333339 YCMHKOLDHUBIGX-NZQKXSOJSA-N 453.539 2.581 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OCCc3ccccc3)c3ccccc32)SC1=S 1860826377 DYFVRNFWUSVWIF-MRCUWXFGSA-N 496.566 2.865 10 10 JFCE CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861940553 DDWIMDZZCNTPLN-QFIPXVFZSA-N 469.582 2.889 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862115070 JECGJZYHHURUBE-HSZRJFAPSA-N 485.606 2.821 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008122 CQWXJJXPJSQUCC-WMZHIEFXSA-N 490.560 2.949 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864022986 TTZUGJUORADQAI-HNNXBMFYSA-N 484.475 2.959 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865035158 MLRXZRZSWFKPGV-KSMMKXTCSA-N 456.543 2.597 10 10 JFCE COc1c(I)nc[nH]c1=NCc1ccc(C)c(Br)c1O 2380738422 XWBAKLUWDSQAPO-UHFFFAOYSA-N 450.074 2.900 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N(C)S(=O)(=O)c4ccc(OC)cc4)ccn3)CC2)cc1 9152051 GIHZVMCOYUGEDO-UHFFFAOYSA-N 496.589 2.886 10 10 JFCE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)cc2)C1 1705925625 RTYSLRGNNRNZJV-IFMALSPDSA-N 473.643 2.856 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3nc(O)c4ccccc4n3)CC2)cc1 1869047870 HHZDGNCPRNRFRR-UHFFFAOYSA-N 477.565 2.520 10 10 JFCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575569 HLKJIWHZVAZZBG-UHFFFAOYSA-N 484.948 2.788 10 10 JFCE COCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945421 PMEYWTUYAGEVRU-UHFFFAOYSA-N 462.549 2.897 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33350081 FFCWVQIRKHLRHR-SFQUDFHCSA-N 474.608 2.568 10 10 JFCE COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526315476 YTLOVOLTKJKXEC-NRFANRHFSA-N 498.513 2.820 10 10 JFCE Cc1cc(CCNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccccc1 746424305 KLYYQWOPBOWPFP-UHFFFAOYSA-N 450.564 2.834 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864017200 HXTUVULTSXIYKZ-UTKZUKDTSA-N 476.533 2.836 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)N2CCCCC2)cc1 1866241183 RMJFUXNKLPQRCN-OAQYLSRUSA-N 463.582 2.866 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053493318 OFYYIWLNOYWOBK-HZPDHXFCSA-N 488.635 2.854 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3cccc(O[C@@H](C)C(=O)O)c3)SC2=S)cc1 2314931047 LJJDWYHBHVPBLE-ZDUSSCGKSA-N 478.573 2.942 10 10 JFCE COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C)CC2 14753033 ARBWGHGHIVZZSR-UHFFFAOYSA-N 477.609 2.909 10 10 JFCE CC[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862132269 CVYBWXRVMDKQBH-XMMPIXPASA-N 494.636 2.966 10 10 JFCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008723 QOYSZAHRPRSKFS-MPBGBICISA-N 450.495 2.720 10 10 JFCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)c2nccn2C)cc1 1866068034 HENNRGWJTLIWIC-QFIPXVFZSA-N 459.506 2.618 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCNC(C)=O)CC2)cc1 1870470874 NECMUJZTUVYVIA-UHFFFAOYSA-N 490.604 2.894 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1 2297312781 UDVRXNDJGMJHAM-UHFFFAOYSA-N 485.905 2.886 10 10 JFCE CC/C(NCCN1CCNCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 22941021 DYBIJWBACFCUJX-SSZFMOIBSA-N 452.506 2.720 10 10 JFCE COc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)cc(OC)c1OC 33513694 ILAPPMLWPXLTQH-UHFFFAOYSA-N 459.458 2.536 10 10 JFCE CCCOC(=O)CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)OCCC)C2=O)SC1=S 102894166 IONXTFALAPLHKO-YPKPFQOOSA-N 490.650 2.605 10 10 JFCE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 729362888 FWSZVGTVMQMQLM-PQMNFKMDSA-N 494.708 2.788 10 10 JFCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCNc1ncccn1 1860344795 GUHYVZPXKWBGGE-UHFFFAOYSA-N 479.544 2.983 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccn(Cc4ccc(C)cc4)c3=O)CC2)cc1 1862022988 ZOESFHWYHPRWTL-NRFANRHFSA-N 488.588 2.681 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010749 WBLUPVPYYVJBJO-HSZRJFAPSA-N 499.527 2.877 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864017199 HXTUVULTSXIYKZ-LAUBAEHRSA-N 476.533 2.836 10 10 JFCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865035513 VWVIXBRHQXZSBY-OAQYLSRUSA-N 494.523 2.598 10 10 JFCE CCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040498309 HMJFKUNRDINWGA-UHFFFAOYSA-N 457.625 2.756 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 2297511313 ANDZYZQBRNAYKO-UHFFFAOYSA-N 456.524 2.604 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cccc(Cl)c4)C3)CC2)cc1 1858419309 VEESURBSLGLJNT-KRWDZBQOSA-N 463.987 2.708 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861933989 SBLBTERPQPKWNU-OAQYLSRUSA-N 487.622 2.913 10 10 JFCE O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016206 CIFNOCMBGUAXSN-LJQANCHMSA-N 497.463 2.640 10 10 JFCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 10960397 PYDVUQGHSHATFL-OAQYLSRUSA-N 470.481 2.518 10 10 JFCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)cc2NC1=O 11857939 SZGXRYYLVPNPFU-LBPRGKRZSA-N 498.542 2.984 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N3CCSCC3)cc2)CC1 1296401242 YXSBLRRWLQUTNU-XMMPIXPASA-N 452.624 2.761 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865318260 MLVHHFSXPCJTAH-NRFANRHFSA-N 463.538 2.628 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNC3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@@H]34)C2=O)c1 2297511344 DCXLJAINQRQEKK-WIYYLYMNSA-N 453.454 2.817 10 10 JFCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 2313558712 IBEKYGWMVMWESK-UHFFFAOYSA-N 478.885 2.871 10 10 JFCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O)C(=O)O 2314930508 FHMYQKZMYSYVAD-NSHDSACASA-N 473.488 2.993 10 10 JFCE COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NCc5ccc(N(C)C)cc5)CO[C@H]34)n2)cc1 5399703 FQUMJDPXDXIXFA-CXSMSNRLSA-N 461.566 2.955 10 10 JFCE CN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33339548 KSUXJKFBBLHTQC-OBGWFSINSA-N 463.588 2.852 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 248010450 BRIKNVAIXPCMDJ-ANARSLNQSA-N 499.567 2.970 10 10 JFCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H](Cc4cnc[nH]4)C(=O)O)C3=O)n12 1858587285 TVYHDQWMSJGPJC-HHYMJXQKSA-N 453.958 2.978 10 10 JFCE COc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1858612501 ZZLOLXYDUKKNIZ-UHFFFAOYSA-N 466.471 2.990 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864008035 AFNSKOJKLCKPCN-QFIPXVFZSA-N 473.533 2.685 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016757 WUENRAIONQRNML-HXUWFJFHSA-N 477.565 2.744 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccccc3)N(C)C)C(C)C)CC2)cc1 1868676535 RLHKJARCVXHDSW-ZEQRLZLVSA-N 452.599 2.788 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868761581 UDFOCLSAPOBJCZ-HXUWFJFHSA-N 461.566 2.965 10 10 JFCE CC[C@@](C)(NC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961007 DRFTXBZXVLCUMJ-XMMPIXPASA-N 452.511 2.789 10 10 JFCE CCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868979759 NOVFXZBTBNVXSY-OAQYLSRUSA-N 462.554 2.728 10 10 JFCE COCCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 2297310005 VSDVYDUKJVIAAR-UHFFFAOYSA-N 478.480 2.600 10 10 JFCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCCC(=O)O 2314935430 OYWFHSMIFQQNET-UHFFFAOYSA-N 473.532 2.880 10 10 JFCE COc1ccc2c(c1)CCCN2CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 96930271 CVYKSUUYGPYYEK-BOPFTXTBSA-N 455.580 2.593 10 10 JFCE COCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871561914 KOJGATPKGLCMFC-UHFFFAOYSA-N 479.585 2.829 10 10 JFCE O=C1C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053498597 OKPQOTQPLVHEDS-UHFFFAOYSA-N 478.599 2.975 10 10 JFCE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136244670 NVZAZQHDSPACRC-HOTGVXAUSA-N 467.563 2.953 10 10 JFCE O=C(O)CCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2375269 PLIIZIOABSEIHJ-QRYYFKOISA-N 496.570 2.516 10 10 JFCE Cc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15047613 KXTWUAFJCYRMQV-MFVBVHDHSA-N 461.590 2.871 10 10 JFCE COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 101350748 ALOVPITWHAQIQK-XDJHFCHBSA-N 498.561 2.757 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 210700693 VZSLWXRTCMIKNG-GXDHUFHOSA-N 453.592 2.626 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252676361 WWFMKJGFBZKTFQ-JOCHJYFZSA-N 463.559 2.570 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(CC)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252677358 YMFZCZGUBKJPEX-HSZRJFAPSA-N 493.633 2.698 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3cccc(F)c3)c3nccn3C)CC2)cc1 742947585 HQMXEFVPNNQWNK-HSZRJFAPSA-N 466.561 2.779 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864018839 RUWMRJWHDXPVEI-OAQYLSRUSA-N 494.548 2.775 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028455 VGSLDAJBIRIMRC-OAQYLSRUSA-N 495.967 2.714 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873165107 BYKYHFUGFOJGKT-UHFFFAOYSA-N 494.636 2.911 10 10 JFCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875204970 ITGODVNUAKNKOY-KRWDZBQOSA-N 452.559 2.605 10 10 JFCE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2271687193 ADCKJUAFZPBICN-UHFFFAOYSA-N 462.591 2.980 10 10 JFCE CC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 2297350783 TZPTUZYCPQZJLU-UHFFFAOYSA-N 465.520 2.677 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 20356667 JVUYDTYWCGPADF-XXWDETEYSA-N 495.517 2.806 10 10 JFCE CN(C)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 1860716663 WBVSFZNRDJOCCJ-UHFFFAOYSA-N 474.974 2.725 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019200 HTKCMRMCYZQGTH-OAQYLSRUSA-N 478.549 2.671 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864020252 XETJEJPGLVSXGQ-PGRDOPGGSA-N 490.560 2.895 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864021589 QCPMHMBYSZBQKS-HXUWFJFHSA-N 480.569 2.610 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865025538 BKHAKXKCJYNSRU-JOCHJYFZSA-N 492.532 2.698 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034070 OEVUTGUMLGDHES-INIZCTEOSA-N 495.502 2.582 10 10 JFCE CCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868801750 KDHABYZDQXNTHX-HSZRJFAPSA-N 463.582 2.909 10 10 JFCE C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1)C(=O)O 2314928818 BZIBCIKUSJGMHF-LLVKDONJSA-N 473.488 2.993 10 10 JFCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323831457 QAKHROQELRTQAV-MRVPVSSYSA-N 466.718 2.937 10 10 JFCE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1447713606 QGZGTYFHQOEOKA-FQEVSTJZSA-N 451.567 2.960 10 10 JFCE COc1cc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1OC 1858590922 OPMJHTBCLPEXOD-LDADJPATSA-N 494.616 2.804 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864014168 OQVJZWBASMIJNN-FQEVSTJZSA-N 498.580 2.763 10 10 JFCE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022564 OSBHWWCRPNZIAT-HNNXBMFYSA-N 475.427 2.917 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865030613 NEUVIJNEMJQSGQ-HXUWFJFHSA-N 469.586 2.514 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865030952 VUGVCPTUQZFBQJ-FQEVSTJZSA-N 470.570 2.581 10 10 JFCE CC1(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2136258659 KXRFGBURWBCAIM-HNNXBMFYSA-N 465.547 2.659 10 10 JFCE COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1 32987416 MMBFMQYELHWSAE-UHFFFAOYSA-N 455.540 2.698 10 10 JFCE O=C(O)CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 210415497 RWBAARPRNLPNLH-WJDWOHSUSA-N 473.488 2.995 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)cc1 248265479 XQLPUGUATHQKFA-FUSMBFRDSA-N 465.550 2.568 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)C1 1741018720 SWXYWWJLTKRHJO-INIZCTEOSA-N 460.633 2.622 10 10 JFCE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866862527 HJNZWHCRGKIBTD-IAGOWNOFSA-N 481.508 2.958 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc4oc(O)nc4c3)CC2)cc1 1868957535 ZPACHWAJNAOJTA-LJQANCHMSA-N 484.578 2.742 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCCN3CCCC3)CC2)cc1 1870360099 VPMAMMGVOUFKSP-UHFFFAOYSA-N 498.668 2.816 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 2297511666 XHGZSHIOOZBRLM-UHFFFAOYSA-N 483.531 2.831 10 10 JFCE O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 104067539 TXTIPOFPHJUMCH-KURKYZTESA-N 465.303 2.851 10 10 JFCE CCN1/C(=C\C=c2sc(=C3SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(OC)cc21 252634455 WNWKSAGEFJABLJ-FWECYNIXSA-N 491.685 2.791 10 10 JFCE O=C(C(=O)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1)N1CCCC1 917633113 HSRCYGBQCRMYKH-QFIPXVFZSA-N 488.548 2.501 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1859007548 VHUOFICTRFOSRG-UHFFFAOYSA-N 498.517 2.556 10 10 JFCE COCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827051 PMEYWTUYAGEVRU-GZTJUZNOSA-N 462.549 2.897 10 10 JFCE CCc1cccc(CC)c1N1C[C@@H](C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862190828 ZIQFIRPJPMJWPN-QFIPXVFZSA-N 492.620 2.638 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@H]2c1ccc(O)c(O)c1 1864010060 OLPNVFGMLSEZNV-AOMKIAJQSA-N 492.532 2.664 10 10 JFCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013214 SXPYARGVEJHQGQ-FQEVSTJZSA-N 498.967 2.752 10 10 JFCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864022580 PHCPRDGOZWQESE-GOSISDBHSA-N 450.495 2.728 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2136242966 CGJBEBLTMRAREQ-XHSDSOJGSA-N 465.547 2.563 10 10 JFCE Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)c2)no1 33279311 TZIKNVQHWIEJSA-QGZVFWFLSA-N 489.623 2.890 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33511168 MGTBGCVHYXVFKI-BOPFTXTBSA-N 452.561 2.809 10 10 JFCE Cc1ccc(Cl)cc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCNCC2)C(=O)NC1=S 220930943 IZEURAFUIQJBCP-GZTJUZNOSA-N 485.953 2.798 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(NC(=O)C4CC4)cc3)CC2)cc1 1324499682 BDEOQWWNZVENMD-UHFFFAOYSA-N 451.571 2.665 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)c(Cl)c4)C3)CC2)cc1 1858405851 USNOFYGLBDTDPY-KRWDZBQOSA-N 494.013 2.717 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864008805 SKXINIBBQZMDSH-XMSQKQJNSA-N 476.533 2.641 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864012213 UPNOEHZZOZDPLH-VGSWGCGISA-N 494.523 2.780 10 10 JFCE COC(=O)CN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 2314717457 YYAJNHDGBWWZBT-UHFFFAOYSA-N 487.946 2.776 10 10 JFCE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 2314928707 ALBYGFRGWZSBKC-UHFFFAOYSA-N 459.461 2.604 10 10 JFCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105210 IOIMSCULYQDBIP-UHFFFAOYSA-N 451.523 2.675 10 10 JFCE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 729362889 FWSZVGTVMQMQLM-XMGGNUPJSA-N 494.708 2.788 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1540927006 MBXDAKMTBKFBFL-UHFFFAOYSA-N 454.619 2.908 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865027765 KRHBEYXOMMDXNM-QHCPKHFHSA-N 490.560 2.577 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865034742 CUMZMOAKMNVJGZ-UTKZUKDTSA-N 484.597 2.971 10 10 JFCE C[C@@H](NC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314831788 RZMZSROUFVSCLK-SECBINFHSA-N 473.370 2.725 10 10 JFCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1 15051182 LMMKNJKMWVTYGE-IUPCOXQMSA-N 468.512 2.927 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 20331984 BIELJLUGLWULCI-WRMKFNBDSA-N 465.520 2.541 10 10 JFCE O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 103100731 BTYVKQGDOJWIOI-NFICCDIISA-N 493.566 2.916 10 10 JFCE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1540961591 MJDDXQSZMCXYFR-UHFFFAOYSA-N 468.646 2.891 10 10 JFCE CC(=O)N1CCc2sc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2C1 1667485338 XSJVALRULVCYAF-SFHVURJKSA-N 450.582 2.728 10 10 JFCE COc1cc(N2CCC(NS(=O)(=O)c3ccc4nc(O)oc4c3)CC2)cc(OC)c1OC 1858044168 JWSJHLILTGQLEM-UHFFFAOYSA-N 463.512 2.507 10 10 JFCE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S 2296358438 CTNOOZWFQZTMBJ-CQSZACIVSA-N 477.542 2.917 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314827807 MSWMQMUVLVHQCQ-UHFFFAOYSA-N 451.526 2.947 10 10 JFCE COC(=O)c1ncn2c1C(=O)N(Cc1ccc(N(C)C)cc1)[C@@](C)(C(=O)NC1CCCCC1)C2 21781708 RCLZHWBEMKICSY-RUZDIDTESA-N 467.570 2.599 10 10 JFCE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33933431 WPIGOWFQRDJNLF-OQLLNIDSSA-N 470.532 2.884 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4cccc(Cl)c4)c3=O)CC2)cc1 1862027976 MQSYSVDJMSFKKN-UHFFFAOYSA-N 494.979 2.637 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ncc4ccccn34)C(C)C)CC2)cc1 1868799652 CRCUMSVPVZBTQF-VWLOTQADSA-N 463.582 2.765 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4oc(O)nc4c3)C(C)C)CC2)cc1 1868957249 TZCZJJUXMPKJOV-NRFANRHFSA-N 452.511 2.645 10 10 JFCE CC[C@](C)(NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869047394 AHFPUQPSHJKYJN-MHZLTWQESA-N 491.592 2.910 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871714760 DYDLYVMGYLTZQY-UHFFFAOYSA-N 473.537 2.705 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cnc(C)cn3)CC2)cc1 1874642934 QOPNLFBVOYSGFD-RUZDIDTESA-N 498.587 2.965 10 10 JFCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2296706075 UBRXIIOQHCTBBD-MRXNPFEDSA-N 487.651 2.747 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)c(OC)c3)C(=O)N=C2S1 15936890 VAFXNIZEPSBJIO-GKDQMJQDSA-N 488.503 2.519 10 10 JFCE CCN1CCN(c2nnc(-n3cccc3CN3CCN(c4ccc(OC)cc4)CC3)s2)CC1 21880897 YJVUFDVWHYRFRO-UHFFFAOYSA-N 467.643 2.802 10 10 JFCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990368 ZUIZKEITSMGGIW-YBEGLDIGSA-N 460.581 2.715 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)cc1 742919062 BOQMUJNPQNOMSB-UHFFFAOYSA-N 478.549 2.858 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1540943161 NUYFGMJRQXZFQL-QFIPXVFZSA-N 454.619 2.666 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865400822 VQADYOFZNNJAFO-JOCHJYFZSA-N 488.592 2.912 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)O 2313557504 FGTPILSCYSNCPY-UHFFFAOYSA-N 493.241 2.727 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33516596 RAFILCXHHHQDJO-QGOAFFKASA-N 466.588 2.851 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)CC2)cc1 730579910 AHLXQJMDADHZJB-IBGZPJMESA-N 459.541 2.674 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2)CC1 1447715218 WANQJPPZKXCHTL-OAQYLSRUSA-N 458.603 2.864 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864009202 CDFKTFBCLXRJHZ-JOCHJYFZSA-N 483.613 2.946 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2106758565 ZAUYHPGVAKFFBN-SFHVURJKSA-N 466.579 2.713 10 10 JFCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 16911538 FAQLJRAEJDIOGH-FOWTUZBSSA-N 464.546 2.635 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCc3cccc4ccccc34)CC2)cc1 44441257 OLOUQNSISWBGDN-UHFFFAOYSA-N 482.606 2.800 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)n3C)CC2)cc1 64922885 OXQBGCKTRSKILS-UHFFFAOYSA-N 474.627 2.725 10 10 JFCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 205948799 ATHNIUYPKZETCW-HYARGMPZSA-N 495.488 2.920 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)cc1 210440619 PLOLQTUNTVMYRN-ATVHPVEESA-N 478.573 2.943 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)C1 1722752480 ONCSSCBFHXUVNI-OAQYLSRUSA-N 477.613 2.745 10 10 JFCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1858591141 ZGIBFTWDBFZHNW-SFQUDFHCSA-N 458.590 2.734 10 10 JFCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 1860720489 DPWPCQLFSJXLOQ-UHFFFAOYSA-N 455.540 2.637 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861939542 RSWGFJBGBZKJOJ-UHFFFAOYSA-N 469.582 2.889 10 10 JFCE Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1866113413 GNLHOVBPZBFXKX-HSZRJFAPSA-N 458.628 2.683 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867409704 HVCSYVBEOPJUJO-DHIUTWEWSA-N 473.017 2.840 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526495 WXUXCQOPZBXUOB-UHFFFAOYSA-N 463.586 2.783 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170173 QFPNZINVLIUKKH-UHFFFAOYSA-N 485.588 2.691 10 10 JFCE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc3nc(O)[nH]c3c2)C1=O 2297534268 BUYIHJGIPXPKFC-UHFFFAOYSA-N 456.256 2.918 10 10 JFCE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1 20207949 FYOYOBRVWVLYNK-NONNEFQTSA-N 484.515 2.536 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2)CC1 1189192831 RRUBIQJKFDUGNO-UHFFFAOYSA-N 455.584 2.764 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2)CC1 1466194097 WGGQLBXESKVNKE-UHFFFAOYSA-N 451.571 2.638 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc2)CC1 1466882043 GTOYWBUMJFNICR-GOSISDBHSA-N 454.518 2.520 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030079 BVWJBINGZAWEEM-OAQYLSRUSA-N 496.539 2.580 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865033263 VVTZJJDQPNWCAD-GCJKJVERSA-N 490.560 2.583 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccn1C 1865348092 XIBPVVUMAURPLK-HSZRJFAPSA-N 490.608 2.992 10 10 JFCE CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866118816 PKKWYTFUVYNGJE-DQEYMECFSA-N 452.599 2.849 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)OCCc3ccccc3)c3ccccc32)SC1=S 2326944722 DYFVRNFWUSVWIF-UHFFFAOYSA-N 496.566 2.865 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328499469 ZCBJJAMGMWXLEZ-UHFFFAOYSA-N 467.566 2.969 10 10 JFCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450172 WJECGYCLBZTHNL-WJDWOHSUSA-N 472.592 2.915 10 10 JFCE CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N(C)C1=O 33549083 RRRGLPTUPPHSJG-TWGQIWQCSA-N 489.532 2.864 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 33651476 ALXMVTFLUCQRRY-JQIJEIRASA-N 462.597 2.507 10 10 JFCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OS(C)(=O)=O 96450445 URIARALWHXFPNV-OOJRFANJSA-N 454.555 2.752 10 10 JFCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 102847726 POWCQYYTESIFGI-XIGQLOAZSA-N 487.651 2.828 10 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464.522 2.685 10 10 JFCE CC[C@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136243784 IARMKHQXTJCDMP-CVEARBPZSA-N 467.563 2.953 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)ccc1O 15040551 JBHNHXZULZAZCE-VBKFSLOCSA-N 452.554 2.753 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)c3ccco3)CC2)cc1 38619702 LCBGOUQCOQUEBA-NRFANRHFSA-N 492.532 2.635 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccc(C)cc3)c3cccnc3)CC2)cc1 56896115 KPHCKRNPHCIFDM-SANMLTNESA-N 487.604 2.695 10 10 JFCE COc1ccc(N2CCN(c3nccc(-c4nnc5nc(-c6ccco6)nn5c4C)n3)CC2)cc1 72452706 GCAXBHUVBXRAMP-UHFFFAOYSA-N 469.509 2.880 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256038781 SBQPELXEWMWICV-LEWJYISDSA-N 497.455 2.944 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3cc4c(OC)cc(OC)c(OC)c4[nH]3)CC2)cc1 742919032 AMPYWQUQZLEFQF-UHFFFAOYSA-N 468.554 2.754 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)c4ncccc34)CC2)cc1 743432013 DLESYKUKEGAIHO-UHFFFAOYSA-N 467.957 2.774 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1596000742 RZMVSZDQAICEEE-NRFANRHFSA-N 465.577 2.822 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018674 QLHWQTXMNJNHHP-NRFANRHFSA-N 484.516 2.647 10 10 JFCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413760 GXRUGPQRMMPDQM-UHFFFAOYSA-N 470.551 2.948 10 10 JFCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 2314932438 WCLWLEUIEYGENE-UHFFFAOYSA-N 473.488 2.995 10 10 JFCE Cc1nc2ccccn2c1C=C1SC(=S)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 2323840814 ZGIBFTWDBFZHNW-UHFFFAOYSA-N 458.590 2.734 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330517267 IYMXDWGFPNTLCP-QFIPXVFZSA-N 495.601 2.730 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 742926809 BFRGHMMSWVRDLJ-UHFFFAOYSA-N 458.946 2.585 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758495 KJQYDZVXWWPBGF-UHFFFAOYSA-N 469.313 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862050148 XIIUHAGMTCVPRB-BJKOFHAPSA-N 483.634 2.941 10 10 JFCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008725 QOYSZAHRPRSKFS-YUNKPMOVSA-N 450.495 2.720 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864013836 HBWSVKIUJMCWSB-HNAYVOBHSA-N 456.543 2.647 10 10 JFCE CCCC[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869056089 QKIDPOUCKQHFFC-ZEQRLZLVSA-N 467.614 2.717 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871594306 LJDNXLQOVCRBJA-UHFFFAOYSA-N 490.656 2.775 10 10 JFCE CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2[nH]c3ccccc3c2CCNC(C)=O)C1=O 2296936057 WUHWLCLRGFJFBJ-UHFFFAOYSA-N 460.490 2.912 10 10 JFCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)NC[C@@H]1CCCO1 2297309976 BCFZPNUVGUYCGD-KRWDZBQOSA-N 490.491 2.742 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)COc2ccc(F)cc2)C1=O 2297497716 VKTJZOFAGGNDHP-UHFFFAOYSA-N 462.480 2.601 10 10 JFCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)C1 2314400701 QPIXWGPNRNTOSS-OKILXGFUSA-N 472.592 2.853 10 10 JFCE C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c(Cl)c2)C1=O 12025319 KJVJMJCPMHWWPS-VFNWGFHPSA-N 493.029 2.751 10 10 JFCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(N)=NC3=O)c3cc(Br)ccc32)cc1 54201905 KRZKUBCNNSGTEO-WUKNDPDISA-N 487.335 2.742 10 10 JFCE CCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)s1 211916915 VWJYHMRYLJBYNW-MDWZMJQESA-N 450.567 2.958 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC(F)F)c4ncccc34)CC2)cc1 743432154 HGZRGCXJFAIPFR-UHFFFAOYSA-N 499.518 2.722 10 10 JFCE CC(C)C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1)N1C(=O)c2ccccc2C1=O 1858074668 QHEWQUFMKXXXIY-JWQCQUIFSA-N 492.620 2.953 10 10 JFCE Cn1c(=O)n(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)ccc21 1859573253 IZXHLUOTYLWJND-UHFFFAOYSA-N 463.472 2.849 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865406931 TYHAUKTYEHWSSF-QFIPXVFZSA-N 488.592 2.820 10 10 JFCE COc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079843184 DURHRXXGGNGPOB-ZCFIWIBFSA-N 455.174 2.929 10 10 JFCE Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15275785 DGQJLXRWKIQNIY-UHFFFAOYSA-N 498.557 2.860 10 10 JFCE CN(C)c1ccc(/N=N/c2ccc(C(=O)Nc3ccn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)n3)cc2)cc1 32603196 HCIQXSKRCTUNQK-YMXCTGGGSA-N 478.509 2.618 10 10 JFCE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(N2CCNC(=O)C2)cc1 106263472 NBJQMEWLIFLLAV-UHFFFAOYSA-N 465.432 2.668 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 742947593 ICSHTJCLGHJZHL-UHFFFAOYSA-N 453.587 2.680 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862115319 NTVGNGLLGGDIFF-HSZRJFAPSA-N 451.523 2.574 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864007520 OPMAFHQGMNRZIU-NRFANRHFSA-N 464.522 2.829 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010751 WBLUPVPYYVJBJO-QHCPKHFHSA-N 499.527 2.877 10 10 JFCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3cccnc3)cc1C2=O 1873856463 DDLALDUUAITDQP-UHFFFAOYSA-N 458.426 2.638 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2136259870 XPNNJNKYQHGXTK-CVEARBPZSA-N 465.547 2.659 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)O 2294095520 VFVZUVBVNJOUAH-UHFFFAOYSA-N 489.278 2.896 10 10 JFCE CCSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 15786569 WHOWMYMYIWCKOU-UHFFFAOYSA-N 463.625 2.689 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1760623687 TVMTYIJCFITMQI-JPYJTQIMSA-N 471.625 2.644 10 10 JFCE CCn1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862020500 VOWHMTKPRJINCE-VWLOTQADSA-N 488.588 2.567 10 10 JFCE CCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118131 QQIMFFIADYZJSY-HSZRJFAPSA-N 453.539 2.868 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009924 NKCMQJAWCKOLQE-JOCHJYFZSA-N 494.548 2.911 10 10 JFCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012548 CXMVHBKJSNVWOU-NRFANRHFSA-N 478.549 2.752 10 10 JFCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864017629 QGJTVZRBTVNYLX-OAQYLSRUSA-N 494.548 2.702 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864021186 MPXMQCSAIHNTJG-GCKBUFEISA-N 494.592 2.771 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865030120 CVNMPJPDWGFAAJ-NRFANRHFSA-N 483.613 2.762 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H]5CCCO5)ncnc4n3C)CC2)cc1 1875196488 ZIJGUICKQAFGOI-LJQANCHMSA-N 450.543 2.530 10 10 JFCE CCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875223723 ARILBYFLIONYID-UHFFFAOYSA-N 496.612 2.887 10 10 JFCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1 2297358347 VGDXUGWPEKWSBP-UHFFFAOYSA-N 485.338 2.860 10 10 JFCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)cc1OC 2314831091 CIEUGAWDWQSQEX-UHFFFAOYSA-N 452.554 2.666 10 10 JFCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989969 JYDPQNFSWWMQJA-YBEGLDIGSA-N 460.581 2.715 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccco3)N3CCCCC3)CC2)cc1 743362659 HBODWQZEVRLHCI-HSZRJFAPSA-N 455.603 2.937 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(F)cc4C)cc3O)cc2)CC1 1296399442 KBQHCRPJIKDZSA-UHFFFAOYSA-N 451.502 2.624 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)c2)CC1 1638708116 CDDKPUOCGXCIHO-UHFFFAOYSA-N 458.584 2.542 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864011222 RUMDKAMAXMSHNG-FQEVSTJZSA-N 464.522 2.674 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864012261 WBKAOORBUZZPOW-QFIPXVFZSA-N 496.539 2.764 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865031428 GRSULOVBFRHEGX-FXAWDEMLSA-N 476.533 2.659 10 10 JFCE CN1CCN(c2ccc3[nH]cc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)c(=O)c3c2)CC1 1866443226 BHPKGEARIURNRY-VWLOTQADSA-N 499.619 2.599 10 10 JFCE COCCOCC(=O)Oc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874744088 XCNJWDWHUHHAEX-UHFFFAOYSA-N 456.539 2.659 10 10 JFCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2294732766 MQULMYFHPSAFAM-UHFFFAOYSA-N 465.443 2.824 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297315286 FHJFPCCRSNQKBR-UHFFFAOYSA-N 489.600 2.741 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)CCC(=O)N3CCOc4ccc(C)cc43)CC2)cc1 9251936 BBLMDBIDHTYQEC-UHFFFAOYSA-N 480.609 2.838 10 10 JFCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 33498578 SHWVMMTXZZENGT-BMRADRMJSA-N 457.625 2.838 10 10 JFCE COc1ccc(N2CCC(NC(=O)[C@@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 726562401 JMHGKUGOJGJGMR-GOSISDBHSA-N 476.555 2.833 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864020522 DBVZZDWOWUJMSU-FQEVSTJZSA-N 471.602 2.809 10 10 JFCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1 8598752 WOSCVECNIJOMMJ-HXUWFJFHSA-N 484.622 2.745 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40316685 SBQPELXEWMWICV-NHCUHLMSSA-N 497.455 2.944 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248256596 UUJAUZGELUIRND-ZDQHKECQSA-N 452.507 2.513 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)C1 1690789462 GTGCQDRAIIDXNT-IRXDYDNUSA-N 450.634 2.726 10 10 JFCE CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861936100 ZVBDVLLAGONPHU-PTHHNIJRSA-N 467.566 2.969 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1862126060 CLHYPUUGSRWSBQ-JOCHJYFZSA-N 471.579 2.576 10 10 JFCE CC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868798940 VRWYXOPMOYSZBT-OAQYLSRUSA-N 454.571 2.749 10 10 JFCE CCCCOc1ccc(Nc2nc(=NCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871615922 NMSGAQDEYNKIRL-UHFFFAOYSA-N 493.612 2.955 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 2297346288 SBKHRCPGHCMPEM-UHFFFAOYSA-N 458.477 2.510 10 10 JFCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1 35625396 PTJDZNJNYJDEGT-SSZFMOIBSA-N 451.545 2.718 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CCN(c4ccccc4OC)C3)CC2)cc1 726246370 CUPJRMPWOGNMCA-OAQYLSRUSA-N 467.614 2.652 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)cc1 1862283129 LJKGWFYVWQMVPC-FQEVSTJZSA-N 497.508 2.773 10 10 JFCE CCC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674584 CORXCYIKHTUJJC-BJKOFHAPSA-N 452.599 2.932 10 10 JFCE CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1 103040470 CKGQMJGLVQGLRU-GRRFOWRYSA-N 459.014 2.577 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)cc1)c1nn(Cc2ccc(F)cc2)c2c1COCC2 1548338642 KHPFECUCVGNWQZ-UHFFFAOYSA-N 450.514 2.910 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4ccc(Cl)c(F)c4)C3)CC2)cc1 1615108433 YBFJFMBRSGZERV-UKILVPOCSA-N 494.991 2.696 10 10 JFCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1705930146 GNYJGEHLGGORAJ-HXUWFJFHSA-N 496.637 2.655 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)cc1 1862269741 COHCQGDZURWYOI-OAQYLSRUSA-N 497.508 2.773 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865032738 JPSYSJTXUDGCGK-JOCHJYFZSA-N 490.560 2.583 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871642034 DPTYPVSECATZNA-UHFFFAOYSA-N 491.640 2.886 10 10 JFCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350801 XRNGZHAKJNEEKR-UHFFFAOYSA-N 489.513 2.508 10 10 JFCE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC)C2=O)CC1 33342550 QTOPYLYBUCOZSH-DTQAZKPQSA-N 472.592 2.695 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 33910376 AFLUQHOJSUQAQD-SFQUDFHCSA-N 476.624 2.671 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989580 YJINWDXTWMXLJZ-BJWGCBOCSA-N 474.608 2.724 10 10 JFCE CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)o3)C2=O)cc1 95841217 VSKDIJSFXCKKJU-KGENOOAVSA-N 479.514 2.795 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 102432623 JXORLWYBOLOLRN-SAPNQHFASA-N 455.609 2.590 10 10 JFCE CCOc1cc(/C=C2\C(=N)N3N=C(SCC)SC3=NC2=O)ccc1OS(C)(=O)=O 102465005 KDVAIGYRRZHPEA-PKNOWDFQSA-N 454.555 2.753 10 10 JFCE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 210434204 UPGUWXUZVCSCCP-DHDCSXOGSA-N 459.461 2.604 10 10 JFCE O=C1[C@@H]2C([N+](=O)[O-])=CC=C(Cl)[C@H]2C(=O)[C@@H]2C=CC(S(=O)(=O)Nc3ccc(O)cc3)=C[C@H]12 229481466 ZGMCZFJBRUMXGN-LTCOOKNTSA-N 462.867 2.501 10 10 JFCE [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1 888087575 BBOJSIGXPBTKDS-UHFFFAOYSA-N 485.578 2.630 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1 1615103988 BVKHBWDMJZEODI-IAPPQJPRSA-N 484.637 2.828 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5cc(C(=O)O)ccc5n4)CC3)CC2)cc1 1858552181 RZDPIQRABYTFPJ-UHFFFAOYSA-N 491.548 2.607 10 10 JFCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865031363 FIKCQVZNPMUGQO-HXUWFJFHSA-N 492.532 2.697 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868875811 QNUBPXUKAFRDRR-FDDCHVKYSA-N 477.565 2.762 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523998 MVRVGAZIOXWGNR-MRXNPFEDSA-N 469.977 2.818 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc5c(c4)OCO5)[nH]3)CC2)cc1 1871531815 CIMIEJHZGLGJJN-UHFFFAOYSA-N 477.569 2.591 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871665421 RLYODXKZVCOSRT-UHFFFAOYSA-N 463.586 2.871 10 10 JFCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873167280 ZOSPAQKGTSKGIJ-UHFFFAOYSA-N 496.571 2.976 10 10 JFCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2296697860 TWUPHIYZQBUJMK-QGZVFWFLSA-N 499.662 2.525 10 10 JFCE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 20207953 SLFGWKOUXGPMAL-HTYYESGYSA-N 498.542 2.844 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(SCCN4CCOCC4)c([N+](=O)[O-])c3)CC2)cc1 20663516 NREUANBIKBNSHP-UHFFFAOYSA-N 486.594 2.990 10 10 JFCE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705819363 KBEAHBUMPXHNPX-QFIPXVFZSA-N 488.658 2.814 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861954642 JDCDATQPHNJJCE-ASMPOHIYSA-N 452.511 2.860 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cccc21 1866937825 DHTWCBKEXHBCBE-ONTIZHBOSA-N 472.472 2.820 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868001481 ZOBHHMDODFMKAQ-UHFFFAOYSA-N 473.581 2.542 10 10 JFCE CCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870449540 BHZICNSATXQLQO-UHFFFAOYSA-N 457.571 2.921 10 10 JFCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)CC1 33744878 ZYNFDNZRVKWEKX-OBGWFSINSA-N 477.608 2.977 10 10 JFCE Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccn1 914903100 FDJPFOHBLPDFDI-DOTOQJQBSA-N 470.551 2.559 10 10 JFCE NC(=O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858591975 DYUVZJRLFRBSNS-BZFUBLJMSA-N 479.761 2.728 10 10 JFCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865033394 YRWKHQWFODWWFL-PGRDOPGGSA-N 490.560 2.832 10 10 JFCE CCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873587659 IOYXMXUOKJEIDT-UHFFFAOYSA-N 496.612 2.569 10 10 JFCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2140602443 PSZLXDJHIBIKKT-JOCHJYFZSA-N 474.627 2.810 10 10 JFCE Cc1nc(I)c(NC(=O)Cc2ccc(N)cc2)c(I)n1 2178367013 DLYXZSYBWYVNHE-UHFFFAOYSA-N 494.074 2.758 10 10 JFCE CCOc1ccccc1NC(=O)NCCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 585200942 VNVCPRIUGPVPOC-UHFFFAOYSA-N 476.599 2.758 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)COc4ccc(C)cc4)C3)CC2)cc1 1858092916 HEYWQKPIBXXXMR-OAQYLSRUSA-N 451.567 2.970 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4ccccc4C)c(C)[nH]3)CC2)cc1 1858545326 NBKASVNHKWKAQG-UHFFFAOYSA-N 475.593 2.971 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2040470246 NHFSEIQMDCYEDV-UHFFFAOYSA-N 469.636 2.980 10 10 JFCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)ccc1O 2296885063 AAWGLTXVABYXGN-UHFFFAOYSA-N 460.489 2.645 10 10 JFCE CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2297730647 HHSLJRTTWVZYDB-MRXNPFEDSA-N 467.279 2.997 10 10 JFCE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33452511 JICYJLDMTTUOCS-RQKAQPNHSA-N 490.651 2.807 10 10 JFCE CCCCS(=O)(=O)N(CCN1CCOCC1)c1cccc2c1C(=O)c1ccccc1C2=O 586189867 UXBMXODVPSZFGF-UHFFFAOYSA-N 456.564 2.731 10 10 JFCE CCOc1ccc(CC(=O)N2CC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858372221 BENHJBWAOOQKGI-NRFANRHFSA-N 451.567 2.834 10 10 JFCE CN1C(=O)COc2ccc(NC(=O)CNCc3cc(Cl)cc(Br)c3O)cc21 1860721391 RLIBVJPZHYRKNV-UHFFFAOYSA-N 454.708 2.892 10 10 JFCE CC[C@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933954 RBXWBWVPRRKVSD-VWLOTQADSA-N 455.555 2.960 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864018811 RFVZYHMGUQPONT-LJQANCHMSA-N 452.486 2.875 10 10 JFCE COc1ccc(OC)c2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866453237 OKWKNWCJTQFRNQ-NRFANRHFSA-N 461.522 2.864 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871546540 WADMDUCQHUKNRQ-UHFFFAOYSA-N 481.576 2.508 10 10 JFCE COCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(OC)cc3O)CC2)C1=O 11880301 BBCDKAHWOCBPNH-SANMLTNESA-N 485.556 2.932 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N21 20206806 AKLMJHBYAFQROB-RMXFNUKNSA-N 498.542 2.926 10 10 JFCE 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NXXTXAOQTUQKLA-UHFFFAOYSA-N 457.625 2.838 10 10 JFCE CN(CCO)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2295924235 FLUGFJQFMMQVOD-UHFFFAOYSA-N 466.588 2.567 10 10 JFCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350707 CGLLOZNTLWSFFP-UHFFFAOYSA-N 480.531 2.824 10 10 JFCE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1 32933581 FHEBJLBICDCCCM-AREMUKBSSA-N 480.613 2.562 10 10 JFCE Nc1ccc(NC(=O)CCn2cnc(I)c2I)cc1 388346704 CTEFXVQWWYJNGD-UHFFFAOYSA-N 482.063 2.703 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)CC2)cc1 729346696 AYBMCLTVZRFHLG-XMMPIXPASA-N 450.583 2.628 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)CC1 1508258852 OXHOUSIWICYJKZ-UHFFFAOYSA-N 463.658 2.941 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1 1615105699 LQMHDOVBVBBRON-VPUSJEBWSA-N 470.610 2.520 10 10 JFCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596704 YTGGKZFUDNCCAP-PEFBKXSFSA-N 452.735 2.843 10 10 JFCE CC[C@](C)(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862167971 IZCQEAPRHWLXNE-DWACAAAGSA-N 492.620 2.677 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864022721 QDCSDZWEFGFECX-XJKSGUPXSA-N 496.486 2.959 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865035517 WBEKODATCSGBOY-HXUWFJFHSA-N 469.586 2.514 10 10 JFCE C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866604733 WDEFDOKBZQBVKJ-HNNXBMFYSA-N 470.481 2.919 10 10 JFCE COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296024870 WAXSRZRRMUWAEJ-UHFFFAOYSA-N 485.452 2.746 10 10 JFCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)S2)CC1 2296672282 QWGTUUCEPWANLL-UHFFFAOYSA-N 471.560 2.589 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 38645429 MZVIQCAOXVYDRW-PGMHBOJBSA-N 482.631 2.678 10 10 JFCE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 62694439 YRECNOPYINOWIU-UHFFFAOYSA-N 455.584 2.623 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1 64925415 SZVRNWIJZFAQHX-UHFFFAOYSA-N 471.565 2.766 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(-c5cccnc5)[nH]n4)CC3)CC2)cc1 96324704 QTCSPZDOKIMFRA-UHFFFAOYSA-N 474.565 2.681 10 10 JFCE CCN(C(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 102429388 SNZDMFKZYXHBOC-APVMCDBPSA-N 482.649 2.712 10 10 JFCE O=C1c2c(O)ccc(Nc3ccc(C(CO)CO)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 200006689 OXIGDVJVFLVGMW-UHFFFAOYSA-N 450.403 2.593 10 10 JFCE CCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862063879 USHXHIJXZLEFDS-HSZRJFAPSA-N 453.539 2.868 10 10 JFCE CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21 2356096560 ZDNMMMGBJAJPOE-HOPMXRPOSA-N 457.834 2.845 10 10 JFCE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33390521 LBRGPLZVDYYSCE-XSFVSMFZSA-N 480.615 2.846 10 10 JFCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCOC)C1=O 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Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(C)CC3)nc12 2040470205 LCHHYTJFNVHYOQ-UHFFFAOYSA-N 481.603 2.749 10 10 JFCE CCCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053510806 SHWVMMTXZZENGT-UHFFFAOYSA-N 457.625 2.838 10 10 JFCE COc1cc(C=C2SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc(OC)c1OC 2296880012 PYCHYWNSVBPKGU-UHFFFAOYSA-N 467.594 2.523 10 10 JFCE O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 6974517 JIYWTHJGPHKRQI-ZROIWOOFSA-N 464.247 2.684 10 10 JFCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 106576138 BRIKNVAIXPCMDJ-SGDZTBBFSA-N 499.567 2.970 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NC(=O)COc3ccc(F)cc3)C2=O)cc(OC)c1O 205713450 BZLOVCKXVQZGBP-CXUHLZMHSA-N 464.496 2.860 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(COc4ccccc4F)on3)cc2)CC1 1634074238 KMJVNUIKLYPITB-UHFFFAOYSA-N 452.486 2.991 10 10 JFCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc2nc(O)oc2c1 1858608236 LHYSXEJZCMAKNI-UHFFFAOYSA-N 463.427 2.819 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865374650 MYRMOUMLUSYOHK-JOCHJYFZSA-N 488.592 2.820 10 10 JFCE CCc1ccc(OC(=O)COc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872639729 IVSYJPYZFYYUKV-UHFFFAOYSA-N 480.521 2.516 10 10 JFCE COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874017010 KYEUJQZKCHJFMJ-NRFANRHFSA-N 497.507 2.962 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864015681 CUCYNXDZZYPCJG-LIRRHRJNSA-N 464.522 2.563 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@H]2c1ccc(O)c(O)c1 1865031676 LWSLXMITGNYQRW-IBGZPJMESA-N 464.522 2.517 10 10 JFCE CCC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921701 GHSPEWYANXJGBT-IIBYNOLFSA-N 496.585 2.900 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871482627 GZKIZMPCCUHDRH-JOCHJYFZSA-N 475.597 2.694 10 10 JFCE CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)CCN1C(=O)OC(C)(C)C 2106803583 QTKUDDXXTBMONV-UHFFFAOYSA-N 463.535 2.809 10 10 JFCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2294204908 RZRITOFOVQURNA-UHFFFAOYSA-N 462.325 2.710 10 10 JFCE CCOc1cccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1O 2323840818 ZRDZXWBSQCVTJO-UHFFFAOYSA-N 464.590 2.882 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc4ccccc34)CC2)cc1 20604436 VYPSCIKTRLIHJK-UHFFFAOYSA-N 453.564 2.730 10 10 JFCE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1C1CCCC1 138219797 JDFJRVPFATXMEC-OFQSIMQFSA-N 481.936 2.657 10 10 JFCE COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526311545 FUVPSWODSWXCLU-NRFANRHFSA-N 468.487 2.811 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCS(C)(=O)=O)[C@H](C)C1 1540977579 HHQNTRYNOGVDMU-LJQANCHMSA-N 498.653 2.844 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(Cl)s4)C3)CC2)cc1 1858405502 MBXIUOPPLKSKDJ-OAHLLOKOSA-N 470.016 2.770 10 10 JFCE Cn1c(=O)n(C)c2cc(-c3csc(NS(=O)(=O)c4ccc5nc(O)oc5c4)n3)ccc21 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CCCCN1C(=O)NC(=O)/C(=C/c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)cc2OC)C1=O 35239191 WVMJBRGGNGCZMF-UNOMPAQXSA-N 491.500 2.762 10 10 JFCE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1OC 35519687 ZQSSEEWVAWHPCK-CYVLTUHYSA-N 479.624 2.829 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21 96460086 HLPZGZBFHWRAHP-YGHDLIBZSA-N 485.503 2.795 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C=O)c2)[C@H]2CCS(=O)(=O)C2)cc1 256038661 QUWGXBMFWSSVQP-BJKOFHAPSA-N 474.623 2.774 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cccc(Cl)c4)C3)CC2)cc1 1615105952 OICQQHSIDKJMIR-ILBGXUMGSA-N 477.001 2.557 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)C1 1690789463 GTGCQDRAIIDXNT-SJORKVTESA-N 450.634 2.726 10 10 JFCE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCNCc3ccc(N(C)C)cc3)cc2)n1 1860708484 NGUHOVSHBOHFCR-UHFFFAOYSA-N 468.583 2.770 10 10 JFCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015085 JHLXJNRFXUHXOM-MRXNPFEDSA-N 490.438 2.870 10 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33436354 QJRRZEPCNWGRGT-DYFSNASRSA-N 486.619 2.974 10 10 JFCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 872019982 CEDIWRKIKVJPPP-UHFFFAOYSA-N 458.367 2.629 10 10 JFCE COc1ccc(CCN2C(=O)c3ccc(C(=O)NCCc4ccc(O)c(O)c4)cc3C2=O)cc1OC 1860361784 IFEAPSDSYMOXED-UHFFFAOYSA-N 490.512 2.926 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864019320 IPNNILWMHZXWDA-RBUKOAKNSA-N 484.940 2.592 10 10 JFCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676384 AWDDEOMUPYHZFS-UHFFFAOYSA-N 469.977 2.888 10 10 JFCE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Cl)c2O)C1=O)N1CCOCC1 2294002029 CUZWMNRZKOVMGH-UHFFFAOYSA-N 461.721 2.703 10 10 JFCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1 2294093699 GSFJWNJJSGRRJB-UHFFFAOYSA-N 490.310 2.944 10 10 JFCE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)s1 2296881448 IEHHDBRSIMPCEF-UHFFFAOYSA-N 480.593 2.966 10 10 JFCE CCN(C(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885122 DRTLIBISZWOUMG-AWEZNQCLSA-N 459.014 2.577 10 10 JFCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)c1 2297331139 XHUKILWKVODHLP-UHFFFAOYSA-N 452.204 2.949 10 10 JFCE O=C(O)CCCCN1C(=O)C[C@@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C1=O 2314832404 GPYBLUPZHPGBSC-CYBMUJFWSA-N 452.941 2.924 10 10 JFCE COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c(=O)n(C)c5ccccc54)cc3)CC2)cc1 33272682 AKWSZMHUUMEMST-UHFFFAOYSA-N 484.556 2.720 10 10 JFCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025610 ARVMTKOAHQWQAF-NRFANRHFSA-N 496.951 2.858 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@@H](C)O)n4CC(C)C)CC2)cc1 1873578993 JKHROYIGPHJQFY-GOSISDBHSA-N 466.586 2.533 10 10 JFCE O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2053496973 RDDHHPZFKLZSHJ-INIZCTEOSA-N 496.618 2.773 10 10 JFCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934773 JRPJKHONWVLBTF-LBPRGKRZSA-N 473.532 2.878 10 10 JFCE O=C1COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)cc2N1 11857932 QCVZMMKEJOHKNF-UHFFFAOYSA-N 484.515 2.595 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3nc4ccc(-c5ccc(C)c(C)c5)nn4c3=O)CC2)cc1 33309454 KBHDHXGQSLZRBG-UHFFFAOYSA-N 472.549 2.532 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2)C(=O)NC(C)(C)C 35963460 SFVJKWJSCJDOGP-FQEVSTJZSA-N 483.569 2.888 10 10 JFCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990038 SBZRWXUYJYFHQO-YVLHZVERSA-N 474.608 2.961 10 10 JFCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)c1O 248250585 SFNFKWPZRFMOFG-FRBSRZPYSA-N 452.507 2.511 10 10 JFCE CN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826506 FGVVLNJFDFHCNU-MRCUWXFGSA-N 495.582 2.738 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009666 JSRCNGKNEABWTH-FQEVSTJZSA-N 450.495 2.642 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015334 OVJIWFLUDFIFDU-HNNXBMFYSA-N 484.475 2.868 10 10 JFCE O=C1CN(C(=O)Nc2ccccc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCN1 1874179250 VJDMMJZBFKGNNJ-UHFFFAOYSA-N 468.469 2.678 10 10 JFCE COC(=O)c1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2040494990 BPNRRIGYQMUIJI-UHFFFAOYSA-N 470.528 2.833 10 10 JFCE CC(=O)NCCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586623152 KIEUTBSJQPUWJK-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 1862162197 MDWPGYNAQVIMDT-IFMALSPDSA-N 492.620 2.848 10 10 JFCE COc1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 2297506260 MSFUAERPICVQQV-UHFFFAOYSA-N 478.280 2.903 10 10 JFCE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106253980 ZRJNYLVCSFQCPM-OAQYLSRUSA-N 456.974 2.737 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCCN(C(=O)c4cccc(C)c4)CC3)CC2)cc1 742947358 BSCKNQPNVMHIBX-UHFFFAOYSA-N 479.625 2.683 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC(C)C)cc3C)CC2)cc1 743431997 CRGXPYBGAVUCER-UHFFFAOYSA-N 454.571 2.668 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1 1115907670 FEBOJPCEBJJXJD-UHFFFAOYSA-N 493.530 2.565 10 10 JFCE COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCc5ccc(N(C)C)cc5)CO[C@H]34)n2)cc1 1614388463 FQUMJDPXDXIXFA-ZYQDXHPFSA-N 461.566 2.955 10 10 JFCE C[C@H](O)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H](N=[N+]=[N-])[C@H]1/C=C/c1ccccc1 1772502475 QVFUCLVZCICLAK-QFXSFYEISA-N 451.439 2.991 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864007862 WKVFMDFNECICEX-NRFANRHFSA-N 464.522 2.565 10 10 JFCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029861 WUZUAJRCHCNJPF-HXUWFJFHSA-N 496.951 2.787 10 10 JFCE COCCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871259612 QTGGRRVSTKUSON-UHFFFAOYSA-N 480.565 2.728 10 10 JFCE CC(=O)NCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168632 CNHRCNUTUTXKHV-UHFFFAOYSA-N 496.571 2.976 10 10 JFCE COc1cc(Br)c(C=C2SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 2040489437 MALPUQMQHZELJD-UHFFFAOYSA-N 473.414 3.000 10 10 JFCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O)C(=O)O 2314932414 VUPRMDMHLNCEBF-LLVKDONJSA-N 473.488 2.993 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc2NC1=O 11857896 LGQJRQDGOHOZJN-SNVBAGLBSA-N 472.504 2.775 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)[C@@H]4Sc5ccccc5NC4=O)CC3)CC2)cc1 33140663 BZQVOSNDRSTULY-HSZRJFAPSA-N 494.617 2.695 10 10 JFCE COc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc(I)c1OCc1ccccc1 1084056441 GWCVXNWNLQWSDO-ZSOIEALJSA-N 492.269 2.970 10 10 JFCE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862281484 ADFMNQCRIRKMET-LJQANCHMSA-N 485.497 2.677 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029364 LLBKYQALOXQVKD-NRFANRHFSA-N 478.549 2.690 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1 1865031188 AZQWOUJZVOVUPY-NRFANRHFSA-N 490.560 2.907 10 10 JFCE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCCN1CCOCC1 2296881639 STEMTRWMAGVYNW-UHFFFAOYSA-N 498.468 2.879 10 10 JFCE C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1)C(=O)O 2314930021 WKLXHSQKTGHBFE-LLVKDONJSA-N 473.488 2.993 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 214755707 YMZLADIZTSRUOV-NTCAYCPXSA-N 451.526 2.947 10 10 JFCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNS(C)(=O)=O 1705478461 BRYMCEHYELCSPA-KRWDZBQOSA-N 454.600 2.750 10 10 JFCE COc1ccc(OC)c(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 1858044301 MYCGMXLANYCPKF-UHFFFAOYSA-N 466.556 2.677 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867966496 AKZOJKPRQALANB-UHFFFAOYSA-N 452.603 2.778 10 10 JFCE CCOC(=O)CN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2297465528 ULFHEWTXHDIRDK-UHFFFAOYSA-N 455.355 2.950 10 10 JFCE CCN(C(=O)CCCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2297500683 SNZDMFKZYXHBOC-INIZCTEOSA-N 482.649 2.712 10 10 JFCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(N4CCOCC4)=NC3=O)c3ccccc32)cc1 33924863 BCEVYEHJLQGGCO-QURGRASLSA-N 492.557 2.743 10 10 JFCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1 96459977 BTGLNYJJAJHMHG-NONNEFQTSA-N 484.515 2.536 10 10 JFCE CN(C)c1ccc([C@@H](CNCC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N(C)C)cc1 257625993 AEYMIEGYBKQAIO-HSZRJFAPSA-N 458.628 2.612 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007608 QFNLKTJTYHAOIN-PGRDOPGGSA-N 492.532 2.590 10 10 JFCE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C(=O)OC(C)C)c1C 1865767641 CFZYZRQDSYBSHP-UHFFFAOYSA-N 458.583 2.987 10 10 JFCE CCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868983113 XVGCZTYZODDUCZ-OAQYLSRUSA-N 463.538 2.993 10 10 JFCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1 20207857 OISGWFWCOXMWGZ-YGHDLIBZSA-N 457.537 2.724 10 10 JFCE COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526314237 WTCMSDQUBQASLC-OAQYLSRUSA-N 468.487 2.811 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)c2)CC1 1634194812 OKURAFNXBDTVJQ-UHFFFAOYSA-N 450.948 2.632 10 10 JFCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc1OCC 1858592150 HYYZPUVCZNCYEM-KWWJGWKXSA-N 452.554 2.794 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@@H]2c1ccc(O)c(O)c1 1865031639 LFLUNOMNOGWFJO-LJQANCHMSA-N 462.506 2.535 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865033652 FORABQBBQVGMQF-BBRMVZONSA-N 496.486 2.647 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(C)n3)CC2)cc1 1869300660 FGFQVZNFXOZOCH-VWLOTQADSA-N 476.556 2.937 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871478546 BGJILSGWHAKLRM-UHFFFAOYSA-N 462.602 2.654 10 10 JFCE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)cc1C 10720394 UQHYKSSXNQDSPL-UHFFFAOYSA-N 453.930 2.994 10 10 JFCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356666 VUODHYPELXHEDT-DIZYVDBLSA-N 479.493 2.954 10 10 JFCE COc1cc(C(=O)NC2=N[C@H](c3ccc(Br)cc3)CC(=O)N2)cc(OC)c1OC 20924607 HWDYRXLQYIEKMX-AWEZNQCLSA-N 462.300 2.822 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3cccn3-c3nnc(N4CCCC4)s3)CC2)cc1 21535240 LWLGGSSHGKCKGI-UHFFFAOYSA-N 495.653 2.880 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccsc3)c3ccco3)CC2)cc1 49486611 YCLKCCVPOBJIDV-OAQYLSRUSA-N 468.579 2.646 10 10 JFCE CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 731405853 IQWUJHTXRFMCDO-OAQYLSRUSA-N 473.595 2.740 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c2)CC1 1466193020 NNWROJKZKXMWIT-DEOSSOPVSA-N 452.603 2.846 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970202 FPZXMWZULHSMID-UHFFFAOYSA-N 497.987 2.721 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871546879 MAWIXYLDSROZBO-UHFFFAOYSA-N 486.555 2.940 10 10 JFCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1 2297345085 PMFRSRSTHWQSHR-UHFFFAOYSA-N 472.504 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CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C[C@H]12 2200958841 PNUDLVRJBWLXEE-JYJNAYRXSA-N 477.558 2.515 10 10 JFCE Cc1cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2297316292 YYWUDQIVGFFUNP-UHFFFAOYSA-N 468.510 2.974 10 10 JFCE O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 13150197 BTYVKQGDOJWIOI-HGFCYWOUSA-N 493.566 2.916 10 10 JFCE O=C1c2ccccc2C(=O)[C@@H]2C(Cl)=C(NC3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)C=C[C@@H]12 101349133 XCYXJSNBCYENDD-PBHICJAKSA-N 469.862 2.965 10 10 JFCE CCN1/C(=c2/s/c(=C3/C(=O)N(C4CCCCC4)N=C3C)n(C)c2=O)Sc2ccc(OC)cc21 166416809 HURNDEHJPWJYGC-CBAIGBLSSA-N 484.647 2.855 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)CC2)cc1 742926863 CQZCHNWYXDNACJ-KPKJPENVSA-N 476.621 2.885 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc2)CC1 1154271527 RFICROOTSMWPQB-UHFFFAOYSA-N 456.930 2.623 10 10 JFCE Nc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1858628178 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CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1 1865029545 PQUJFZXLCFPGRV-OAQYLSRUSA-N 469.586 2.508 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cccnc4)[nH]n3)C(C)C)CC2)cc1 1868975931 QRDHHTGIAWKWBN-QHCPKHFHSA-N 462.554 2.584 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 1872635311 ONJBDRFDRFKHFT-UHFFFAOYSA-N 479.537 2.604 10 10 JFCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 15047594 ZAYQNAJBVSFAIH-FFCYNSPCSA-N 465.553 2.702 10 10 JFCE CCN(CC)C(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 20289272 OXVJYAJGAKUZMJ-PGRDOPGGSA-N 458.628 2.993 10 10 JFCE CCN1C(=O)/C(=C\c2c(C)n(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(O)=NC1=S 33686587 AMKFXZQNTYUFQD-GZQZNAIASA-N 454.552 2.732 10 10 JFCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)C(=O)O 47152294 MACUEJSYRNBYFV-CMHHUMAZSA-N 451.526 2.946 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 585198556 XBSZDJDHNPXJCE-GOSISDBHSA-N 486.619 2.942 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21 1565532484 RGGHTDNUGBUOLN-NTWGUOLNSA-N 469.925 2.513 10 10 JFCE CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1722769011 FAAMPTONHWMVOD-SANMLTNESA-N 484.645 2.800 10 10 JFCE CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861936101 ZVBDVLLAGONPHU-ZCQBWMKESA-N 467.566 2.969 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864011271 SKCSVHCCOPATKP-OAQYLSRUSA-N 478.549 2.846 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1 1865028411 UKASICSZSHPWMP-XXBNENTESA-N 490.560 2.637 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868578878 OWJXONTZINUZNW-IBGZPJMESA-N 463.003 2.944 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O 2313561196 YURSPMNZEXPYQI-UHFFFAOYSA-N 462.212 2.738 10 10 JFCE 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CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867822531 HOJZJUDRECFGAN-JOCHJYFZSA-N 498.540 2.642 10 10 JFCE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)OCC(=O)N2C(C)C)cc1 1891651666 BLIIAXBSVLKTJG-DQEYMECFSA-N 467.566 2.730 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2200971900 PVILIMOHTBVFPO-JRLRZGBRSA-N 477.558 2.659 10 10 JFCE COC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 40845389 YYAJNHDGBWWZBT-MSUUIHNZSA-N 487.946 2.776 10 10 JFCE C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596708 YTGGKZFUDNCCAP-VPRMTTNPSA-N 452.735 2.843 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864007811 VMUIVIZGAPRELZ-QFIPXVFZSA-N 469.501 2.998 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1 1864016229 JYDXBKYVIADBSO-HXUWFJFHSA-N 478.549 2.955 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 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2297561410 AVZGKJSUAGAJQW-UHFFFAOYSA-N 450.520 2.834 10 10 JFCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc([N+](=O)[O-])ccc2O)C1=O 109350023 LNHVHCFXLAHOKC-XYOKQWHBSA-N 461.228 2.950 10 10 JFCE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 210422352 WCLWLEUIEYGENE-WJDWOHSUSA-N 473.488 2.995 10 10 JFCE CCCOc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c(C)c1 743432020 DRNNFLXOCKLHNJ-UHFFFAOYSA-N 454.571 2.669 10 10 JFCE COc1cc(/C=C2/SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858590565 YDKCGSBBXPXNMJ-ZNBBLSJYSA-N 472.544 2.804 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867374899 ZSKDUGZXMHUHMW-GOTSBHOMSA-N 473.017 2.840 10 10 JFCE CCN(CC)CCCCn1cc(OCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870367559 RWOZUKVIWYFSCE-UHFFFAOYSA-N 486.657 2.672 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCOCC5)ncnc4n3CC(C)C)CC2)cc1 1873550372 RVEXHLLUIKEOAX-UHFFFAOYSA-N 478.597 2.895 10 10 JFCE O=C1N=C(NS(=O)(=O)c2ccccc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 2267543 UYGKOSMFXNXGCJ-YPKPFQOOSA-N 464.322 2.720 10 10 JFCE COCCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 6288540 OPJPYZGGLOLQLV-ZHZULCJRSA-N 466.538 2.589 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1359359350 RSHSEBRKWPFWEF-LJQANCHMSA-N 451.550 2.898 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1518368899 KHTPAPAYZKBGNU-JOCHJYFZSA-N 452.511 2.865 10 10 JFCE CCCOC(=O)[C@H](CC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826166 BQKMCFGRYMGWLF-WPCFGXOUSA-N 462.549 2.811 10 10 JFCE CC[C@@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933953 RBXWBWVPRRKVSD-RUZDIDTESA-N 455.555 2.960 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009428 HCRMNPUTSSTPHV-JOCHJYFZSA-N 469.501 2.998 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CC1)[C@@H]2c1ccc(O)c(O)c1 1864021424 BPQBIGJAMYQFOI-CQSZACIVSA-N 452.433 2.942 10 10 JFCE C/C(=C\c1ccccc1)C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866813681 DXYNNABEXZPPIR-FDGLKFFFSA-N 454.482 2.981 10 10 JFCE CCC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869039499 JIFAETIIMYFFKM-HXUWFJFHSA-N 465.554 2.936 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2314837965 ZAYQNAJBVSFAIH-NSHDSACASA-N 465.553 2.702 10 10 JFCE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(=O)c1ccco1 1135734 ILLLMNLHJDPUEC-LDADJPATSA-N 481.486 2.961 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5ccc(F)cc5)CC4)ncn3)CC2)cc1 1858247639 UMVCNTFVQLJVBR-UHFFFAOYSA-N 476.556 2.913 10 10 JFCE CCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861932215 YOEGEGDHSXANDZ-OAQYLSRUSA-N 485.581 2.968 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOCC)[C@@H]2c1ccc(O)c(O)c1 1864022395 NFQKWQOVQXGGSJ-OAHLLOKOSA-N 484.475 2.961 10 10 JFCE CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868787325 SAXZLKFPJNNKQG-YKSBVNFPSA-N 478.593 2.682 10 10 JFCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731407662 YKJMWUNBUBOBQE-NRFANRHFSA-N 473.595 2.693 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 1861972563 QNDBRQFJPNZGEI-UHFFFAOYSA-N 468.573 2.511 10 10 JFCE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031277 DGHPRDSMWKRPCS-SXGZJXTBSA-N 476.533 2.829 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868934068 ZVMQWTWKAPFZMI-MRXNPFEDSA-N 483.519 2.841 10 10 JFCE CN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1874180075 YSXZNTQDWLAHGG-VQTJNVASSA-N 457.530 2.757 10 10 JFCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2053511838 LFYYSNOYQFJEKU-OAHLLOKOSA-N 457.625 2.754 10 10 JFCE C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c(Cl)c2)C1=O 12025305 KJVJMJCPMHWWPS-QVKFZJNVSA-N 493.029 2.751 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15040159 VANSZFKZBKOLOI-ATVHPVEESA-N 477.589 2.660 10 10 JFCE N=C1/C(=C\c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356665 RYMZSPXNRDZPHZ-ZZRYEGNISA-N 467.532 2.876 10 10 JFCE CC(=O)c1cc(F)cc(CN2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)c1O 1307811792 AYOVLEGFFLFHFW-UHFFFAOYSA-N 454.545 2.715 10 10 JFCE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1596165039 DESBJFSKHFQJMJ-FNZWTVRRSA-N 484.645 2.798 10 10 JFCE NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344980 LNXATKSAAOGSFH-QHCPKHFHSA-N 491.551 2.787 10 10 JFCE CCC[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862015931 ASCITPHNLUEAGL-HSZRJFAPSA-N 468.598 2.760 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865026845 BMAUDFQOAFRRBD-HXUWFJFHSA-N 482.924 2.799 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865030146 DLSLVNHMMDWLSX-HRAATJIYSA-N 484.597 2.828 10 10 JFCE O=C(CCc1ccccc1F)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597531 XBWKDQKVRNQCID-OAQYLSRUSA-N 460.461 2.650 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CN(C(=O)OCc2ccccc2)C1 2080885498 DPRVKYNDTFLNMZ-IBGZPJMESA-N 485.537 2.671 10 10 JFCE CCN(C(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296885173 HCEOBNGLOVHOTG-OAHLLOKOSA-N 473.041 2.967 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(C)CC3)nc12 102438181 YFMVFFBRTAEFEG-NBVRZTHBSA-N 469.636 2.899 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 743303842 CWSZABYODWZQOA-UHFFFAOYSA-N 453.543 2.591 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4cccc(OC)c4)c(C)[nH]3)CC2)cc1 1858543845 RAMSDHZSFBCABF-UHFFFAOYSA-N 477.565 2.748 10 10 JFCE O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)NCCc1ccc(O)c(O)c1 1860291380 ZCGSFTIJQKICGD-UHFFFAOYSA-N 468.579 2.885 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861954373 BGSCUPZGZZUWGL-PBCPJNDBSA-N 482.562 2.867 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864019400 XYTNVLNRNYJTIL-IBGZPJMESA-N 452.486 2.875 10 10 JFCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2 1865028186 RJDAWQFUVWYWSO-NRFANRHFSA-N 495.967 2.837 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871668612 VFFNGBKCCSJVCE-UHFFFAOYSA-N 498.591 2.810 10 10 JFCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200958320 KRALRWLRUJEJBH-BHYGNILZSA-N 479.574 2.905 10 10 JFCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCN2CCOCC2)cc1 2313683288 WOVWTIZKMHNEMN-UHFFFAOYSA-N 465.510 2.550 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nnc(-n5cccc5)s4)C3)CC2)cc1 15728093 UFLMSCXQZJFNBT-GOSISDBHSA-N 452.584 2.903 10 10 JFCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)CC2CCCC2)CC1 19770975 MBMFPQWGWVCJPF-XLNRJJMWSA-N 468.558 2.515 10 10 JFCE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(C)cc1 35960448 FBTNPLMLSHPEOE-XMMPIXPASA-N 465.598 2.582 10 10 JFCE CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 728558593 JXPWMYHUIKUKDV-JOCHJYFZSA-N 462.472 2.922 10 10 JFCE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[C@H](C)O)cc1 746424529 CDKMJRRLUAKUPP-GBXCKJPGSA-N 469.607 2.789 10 10 JFCE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1860716914 KKWUKRHEYXMRCN-UHFFFAOYSA-N 468.583 2.852 10 10 JFCE CC[C@@](C)(NC(=O)c1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862066278 JIVFXGYMFQVZHJ-RUZDIDTESA-N 453.539 2.868 10 10 JFCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)C1 1865031819 OSYGZZCAHBOIIC-YGRLFVJLSA-N 452.433 2.803 10 10 JFCE CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868612014 JAUMHCDGTUAKMH-QHCPKHFHSA-N 464.566 2.679 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccco4)n(C)n3)C(C)C)CC2)cc1 1869034126 GYNRHVIHJWWFRP-HSZRJFAPSA-N 465.554 2.792 10 10 JFCE O=C1C(=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC(=S)N1CCS(=O)(=O)O 2053497378 HMQMBRGCCRWBLB-UHFFFAOYSA-N 478.548 2.832 10 10 JFCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2296567492 AXPXVTXZVICJFY-LLVKDONJSA-N 459.252 2.967 10 10 JFCE CN(C(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885424 UJCLDEOOPYRGEZ-AWEZNQCLSA-N 459.014 2.577 10 10 JFCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323813592 DYUVZJRLFRBSNS-VIFPVBQESA-N 479.761 2.728 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1508194740 MHJQXGZFTARYSW-OAQYLSRUSA-N 472.609 2.805 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760584992 QCZDREPPEWYMAL-OAQYLSRUSA-N 465.577 2.822 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861988065 BROUXGJRIXHFKK-UNMCSNQZSA-N 482.600 2.900 10 10 JFCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864015200 LZUAGRKWJKZUNL-INIZCTEOSA-N 490.438 2.870 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865035048 KCVZYNZNUQDTQV-AVYPCKFXSA-N 470.570 2.843 10 10 JFCE CCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O 2297707871 UNBNTXCCWAPQFT-UHFFFAOYSA-N 478.599 2.820 10 10 JFCE CCOc1cc2[nH]c(=O)n(CCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC 13497229 JEODYJIPKMXGNW-UHFFFAOYSA-N 482.581 2.708 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 248197871 RRFVRMVEZRPMPJ-AKPXLKPYSA-N 452.507 2.716 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1 263629274 WWECCSPVZJZOMC-QHCPKHFHSA-N 493.633 2.686 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)NC(C)=O)sc(C)c1-c1ccc(OCC)cc1 1860762346 CUFXXSYUVAGYEK-CYBMUJFWSA-N 475.567 2.878 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C4CC4)on3)CC2)cc1 1868973787 MEMMSPMPHSDBBG-LJQANCHMSA-N 458.584 2.761 10 10 JFCE 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O=C1CN(c2ccc(CNC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc2)CCN1 110125052 NJPNXLZOBHKWBN-UHFFFAOYSA-N 472.383 2.750 10 10 JFCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)O)N[C@H]2c1cccc(OC)c1O 247904503 GYHMCDZUQVNPMI-XMNZWCOLSA-N 452.507 2.819 10 10 JFCE COCCN1C[C@H](O)C(C)(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC1=O 1616062316 KAAKULQDBRCLRY-IMSXRSKXSA-N 478.630 2.599 10 10 JFCE CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862187336 IWFVKWJHWFINRW-UNMCSNQZSA-N 492.620 2.772 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864020249 XETJEJPGLVSXGQ-AVRDEDQJSA-N 490.560 2.895 10 10 JFCE COc1ccc(OCCCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869969576 QTVRKJQNWRRDCB-UHFFFAOYSA-N 480.569 2.957 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CC(O)C3)n4Cc3ccccc3)CC2)cc1 1873555330 UGNZAPPPSRYZGP-UHFFFAOYSA-N 498.587 2.632 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330522008 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COCCCn1c(C(=O)N(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873558505 DPUJAMQRKCHPAW-UHFFFAOYSA-N 452.559 2.505 10 10 JFCE CCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2040499443 YFTAENVORUSXFB-UHFFFAOYSA-N 487.607 2.584 10 10 JFCE CC(=O)Cc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1C3=O 14724660 ODDJKDDLIBUZMH-UHFFFAOYSA-N 474.421 2.880 10 10 JFCE biogenic,in-vitro CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990085 FJIDXAYWGOZWKN-ZLYHGVDXSA-N 474.608 2.961 10 10 JFCE CCCN1C(=O)/C(=C/Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)C(=O)NC1=S 105490564 KHGHSVKZUMWEHK-DTQAZKPQSA-N 488.591 2.754 10 10 JFCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 254523159 VTACMIOVQXXBGP-OAQYLSRUSA-N 451.523 2.613 10 10 JFCE CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C2CC2)cc1 731405561 HMYWNTKYUJHEHL-JOCHJYFZSA-N 485.606 2.835 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(F)c3)cc2)cc1 1859003367 KMHCODYBJXDXIB-UHFFFAOYSA-N 457.483 2.858 10 10 JFCE CC[C@@](C)(NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862129702 IQRHXRUASPRSKH-RUZDIDTESA-N 487.000 2.712 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865025802 DFZZCDOKOHDLRO-HSZRJFAPSA-N 489.576 2.839 10 10 JFCE COc1ccc(C=C2SC(=S)NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2297123801 ARYVSSBZUHDSEC-UHFFFAOYSA-N 464.546 2.910 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 2314932599 XDSMUSFPWKZABP-UHFFFAOYSA-N 459.461 2.604 10 10 JFCE CC[C@H](NC(=O)C=Cc1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330498301 ZDXFZPOHBAJWQB-QHCPKHFHSA-N 467.566 2.969 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 35384581 YKAFQXKUBMGHMP-QGOAFFKASA-N 469.636 2.899 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cn4ccnc34)cc2)CC1 1296400741 JGGPDSFKFRPHNR-UHFFFAOYSA-N 456.344 2.695 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868752059 DAKINBUZHPARBR-UHFFFAOYSA-N 461.566 2.791 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(C)n3)CC2)cc1 1869298625 VZZJRZKKZUXGDU-UHFFFAOYSA-N 462.602 2.941 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2040499454 YKAFQXKUBMGHMP-UHFFFAOYSA-N 469.636 2.899 10 10 JFCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2053497805 DZYBFINTRWFMIL-QGZVFWFLSA-N 499.662 2.525 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2236196558 FZWLFWAHPQGRHH-UHFFFAOYSA-N 481.546 2.733 10 10 JFCE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 2297552976 FVCINIZVFKPCGV-UHFFFAOYSA-N 478.534 2.735 10 10 JFCE O=C(NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S)c1cccnc1 40846770 GHYZFHOQEBPQOX-POHAHGRESA-N 457.274 2.825 10 10 JFCE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)[C@H](C)C1 1596212166 DYLSESBADKNUGK-NVXWUHKLSA-N 450.634 2.868 10 10 JFCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCS(=O)(=O)CC1 1705605566 OALZDJNZCUAVMQ-UHFFFAOYSA-N 481.622 2.752 10 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IOFSCCPMFPQSGJ-FQEVSTJZSA-N 454.596 2.961 10 10 JFCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 15937003 CPYNWLCFSNOUPH-RKTZKFLQSA-N 479.493 2.954 10 10 JFCE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467378 YXMUSOUVMJFAFO-QCUKBLKESA-N 459.641 2.800 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030523 LOGOUTUGOPYHNM-OAQYLSRUSA-N 496.539 2.580 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869058586 ITXMVEIVSXYXFQ-JOCHJYFZSA-N 497.958 2.968 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCN(C)C)C2=O)cc1 1873168154 KXRQGBXYGXIWIV-UHFFFAOYSA-N 460.582 2.612 10 10 JFCE COCCN(C(=O)C=Cc1cc(C)n(-c2cc(C)on2)c1C)c1c(O)nc(=O)n(CC(C)C)c1N 2040473353 ARHMFJICHMLUTA-UHFFFAOYSA-N 484.557 2.584 10 10 JFCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(S(N)(=O)=O)cc1 2313682076 UPHXYRDDQZFQSI-UHFFFAOYSA-N 456.568 2.952 10 10 JFCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 33474236 JPPPZFAGVWNKDZ-WOJGMQOQSA-N 470.576 2.879 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCO)nc12 33933472 JUIDPSDRVIPQQJ-VCHYOVAHSA-N 496.570 2.537 10 10 JFCE CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC 35964012 VUUDVBRMVVMANP-QFIPXVFZSA-N 485.585 2.788 10 10 JFCE CCc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)s1 39793592 VWJYHMRYLJBYNW-JYRVWZFOSA-N 450.567 2.958 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1301768177 SYVKXZLKZYZQBP-CYFREDJKSA-N 485.652 2.719 10 10 JFCE COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861937327 GYCCXIHXNZWIMB-DEOSSOPVSA-N 451.567 2.976 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868630564 RODLMHPCTNJDPV-UHFFFAOYSA-N 462.550 2.975 10 10 JFCE CCN(CC)CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545735 UEZLWGJSAFYLKG-UHFFFAOYSA-N 494.619 2.687 10 10 JFCE COc1ccc(N2CCN(c3ncnc(N4CCN(c5ccccc5F)CC4)c3N)CC2)cc1 40727909 QNIJTQTVVVWMFQ-UHFFFAOYSA-N 463.561 2.860 10 10 JFCE COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(OC)cc3)C[C@@H]12 169681788 CKVLEFJDSKMWKD-GGAORHGYSA-N 454.527 2.624 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2ccc(Br)cc2O)C1 721812638 IGVZAUHCTPMIJC-OAHLLOKOSA-N 463.394 2.669 10 10 JFCE CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]31)C(=O)N2 1565531999 RLUGXWLFCZJFNM-SOJXRLSXSA-N 489.572 2.956 10 10 JFCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1760604044 GACREXUFUFUWIH-UHFFFAOYSA-N 454.619 2.501 10 10 JFCE COC(=O)c1cc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)ccc1O 1859474262 FEEFJFVLBVBAEG-UHFFFAOYSA-N 480.498 2.818 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865115669 COEIVMSKVMRVEU-QFIPXVFZSA-N 489.576 2.740 10 10 JFCE CN(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 1867278564 KLVRSJGQUMAEOS-JOCHJYFZSA-N 470.529 2.993 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1 248049487 MZNCNBZFVNSLQX-GVAUOCQISA-N 478.593 2.757 10 10 JFCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NC(=O)c3ccoc3C)CC2)c1 727426596 XHVFVIXQSYVYEZ-UHFFFAOYSA-N 455.555 2.723 10 10 JFCE COc1ccc(OC)c(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1858590841 LMKZHUSCCTVJAC-LDADJPATSA-N 464.590 2.795 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865034009 MZPLJBQMYAYFKD-HXUWFJFHSA-N 494.548 2.525 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2136241217 WKXHTDOSLRADNE-OAGGEKHMSA-N 465.547 2.706 10 10 JFCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296537600 ZSJSANVUFQOECW-LLVKDONJSA-N 465.359 2.680 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1 2296550337 CVZGAXVWPMDOKG-UHFFFAOYSA-N 462.212 2.738 10 10 JFCE Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)c2)no1 33279312 TZIKNVQHWIEJSA-KRWDZBQOSA-N 489.623 2.890 10 10 JFCE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 34262173 LFYYSNOYQFJEKU-YHZJOHHESA-N 457.625 2.754 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4ccccc4)c(C)[nH]3)CC2)cc1 1858545066 GNQQZCGHVRDYFY-UHFFFAOYSA-N 461.566 2.663 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864012373 YNICIMKVHMZERQ-QFIPXVFZSA-N 495.555 2.553 10 10 JFCE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2296321149 DCTLBZAGFTUKRX-LJQANCHMSA-N 466.881 2.662 10 10 JFCE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)C(=O)O 2314837876 XWCUGSURUPXVKW-GFCCVEGCSA-N 451.526 2.946 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)cc1 2314930823 JSURKVXUPSEFKP-UHFFFAOYSA-N 478.573 2.943 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C=O)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256039039 VKOANHLFMGMRKJ-BJKOFHAPSA-N 474.623 2.774 10 10 JFCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(I)c1 1084376628 ZNWFIGDOEVSDRQ-GHXNOFRVSA-N 452.179 2.802 10 10 JFCE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1286885246 JBDOGNIGIWKQNT-HXUWFJFHSA-N 464.618 2.619 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ncn3)CC2)cc1 1858247029 DQRWDARWUPYXDJ-UHFFFAOYSA-N 472.593 2.770 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)n3c(O)nc4ccccc4c3=O)CC2)cc1 1860163083 ILOIMXHYWHIGBA-NRFANRHFSA-N 468.579 2.754 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(CC)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 651086 YMFZCZGUBKJPEX-LJJBLSSYSA-N 493.633 2.698 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 4765320 RNUXMYDCAPHZOW-XMMPIXPASA-N 466.582 2.755 10 10 JFCE Cc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15038200 DRKOIIANVFLXCE-ATVHPVEESA-N 461.590 2.872 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCCN(Cc3ccccc3)C4=O)CC2)cc1 64959656 KPXPKGMLTHWHKR-UHFFFAOYSA-N 459.550 2.900 10 10 JFCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 726621876 AMJOROOLHCZUIA-CQSZACIVSA-N 460.487 2.973 10 10 JFCE CC(=O)N1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1741037447 OHHXKILQZKSIBW-UHFFFAOYSA-N 499.616 2.582 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1 2297511255 YQVVXCLQZLWDLL-UHFFFAOYSA-N 468.535 2.748 10 10 JFCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724310 GSTXQAFDFZMBIM-QXPQOBGOSA-N 492.648 2.685 10 10 JFCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 46009326 NNWIEAHRIZHIQZ-UHFFFAOYSA-N 469.475 2.870 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2)cc1 742919089 CNMFPTFQEAVGIF-UHFFFAOYSA-N 474.487 2.847 10 10 JFCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc21 1464146899 JGSBQZYJWYKKSQ-QGZVFWFLSA-N 457.596 2.986 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1508182029 DAGINPBBPMPHHL-HXUWFJFHSA-N 458.582 2.730 10 10 JFCE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CNCc3cc(Cl)ccc3O)cc2)n1 1860720964 DMJSTPQWIWRZRZ-UHFFFAOYSA-N 475.958 2.982 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 1862173440 FPJBHKLAEGTVTE-UHFFFAOYSA-N 469.582 2.845 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868633749 BFPXZCXKVUVMRB-UHFFFAOYSA-N 462.550 2.975 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCOCCO)CC2)cc1 1870353648 ZEHJGLFOSLBSHT-UHFFFAOYSA-N 473.614 2.613 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCCN3CCCC3)n4C)CC2)cc1 1873568331 KAQIFJGDDLEGCR-UHFFFAOYSA-N 491.640 2.909 10 10 JFCE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2296547646 TVADOXLWOMZGME-UHFFFAOYSA-N 490.607 2.906 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328584656 UCWYORFEBGPCGV-QHCPKHFHSA-N 464.522 2.956 10 10 JFCE CCOC(=O)N1CCN(C(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)CC1 9090897 JZLNZSRCQUBMDX-RELWKKBWSA-N 450.539 2.824 10 10 JFCE COc1ccc(N2CCN(CCNc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)CC2)cc1 742928024 HIKMNDLCNZQRJH-UHFFFAOYSA-N 489.598 2.622 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)[C@H](C)C1 1359383741 HMDQAGVLBNFLHI-QGZVFWFLSA-N 499.566 2.791 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)C1 1741019985 TWGCFKYJOFPSMB-IRLDBZIGSA-N 454.619 2.899 10 10 JFCE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1OC 1858956102 IPBHIKHXKSYSDL-UHFFFAOYSA-N 485.518 2.693 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010534 NEQAPUZKSUHTGW-HSZRJFAPSA-N 486.528 2.938 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864012117 ROUKMASEQNEWCV-QFIPXVFZSA-N 495.555 2.553 10 10 JFCE O=C(CCN1C(=O)CSC1=S)NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1865766329 WHABWUBDNMJYDC-QGZVFWFLSA-N 466.581 2.707 10 10 JFCE CS(=O)(=O)CCC(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867018470 CXQVEFAZVQIAOH-QHCPKHFHSA-N 490.537 2.693 10 10 JFCE CC[C@H](NC(=O)C=Cc1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331201037 FWGISSXRZOVFHS-QHCPKHFHSA-N 467.566 2.969 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1 254817458 WMDWUDGQMXFQOS-HXUWFJFHSA-N 453.589 2.926 10 10 JFCE CC(=O)N1CCC(Cn2c(N(C)Cc3ccccc3O)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1359367788 UKJOMOGXNNMMRX-RUZDIDTESA-N 471.602 2.919 10 10 JFCE CC(=O)Nc1nnc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)s1 1857992430 RWYXVDFDNMVHPF-UHFFFAOYSA-N 456.553 2.998 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)c1 1860879168 TYYXJXVAPMQDID-JOCHJYFZSA-N 480.569 2.656 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864018090 CHZAMUNITURZCY-FQEVSTJZSA-N 478.505 2.616 10 10 JFCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2296697859 TWUPHIYZQBUJMK-KRWDZBQOSA-N 499.662 2.525 10 10 JFCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323823610 YTGGKZFUDNCCAP-RRAGMBSWSA-N 452.735 2.843 10 10 JFCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 15048019 QZJXKENZBXUNAR-IEMQHYRPSA-N 452.554 2.752 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076764 VBIBTXQUCJGPJH-UHFFFAOYSA-N 485.518 2.779 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)cc1 210488348 FXRMTBOQELOAMU-LZYBPNLTSA-N 472.500 2.932 10 10 JFCE CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 728748538 HCLUCJKNSKADLK-RTWAWAEBSA-N 459.635 2.544 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1760623686 TVMTYIJCFITMQI-FDDCHVKYSA-N 471.625 2.644 10 10 JFCE COCCN(CCOC)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347201 BNYVTOCVWGMLKU-SANMLTNESA-N 476.577 2.910 10 10 JFCE CCOc1cccc(CNCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1O 1860711053 KNTJFAINGWVGJZ-UHFFFAOYSA-N 498.001 2.584 10 10 JFCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864017682 RNHJWHABFTYRMY-FQEVSTJZSA-N 462.506 2.828 10 10 JFCE COc1cc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2cc1OC 1866456484 FWDZIINVJFVSGW-JOCHJYFZSA-N 461.522 2.864 10 10 JFCE CCN(CC)CCCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166470 AGPAZPOGRYZOMV-UHFFFAOYSA-N 479.625 2.632 10 10 JFCE O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296079069 BJCPIJQEDVBYQB-UHFFFAOYSA-N 450.514 2.585 10 10 JFCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2296712312 WPIGOWFQRDJNLF-UHFFFAOYSA-N 470.532 2.884 10 10 JFCE O=C(O)CCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1757605 BIISLFOSEBJGPF-FYWRMAATSA-N 458.565 2.751 10 10 JFCE CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 9972665 XVLZDGWUSHUVAJ-IAGYGMIVSA-N 459.296 2.838 10 10 JFCE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1741053681 ALLVNRKDONRJPE-INIZCTEOSA-N 499.616 2.580 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1859007122 DVBJESHRTPLKSM-UHFFFAOYSA-N 484.490 2.627 10 10 JFCE CCOc1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1862050572 GYFXYRFANQJNCT-QFIPXVFZSA-N 455.580 2.958 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3c(OC)cccc3OC)CC2)cc1 1862124730 ZBMANGINYLSBKP-HXUWFJFHSA-N 487.622 2.913 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(CO)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027364 HSYQOTCMPGLVKT-HSZRJFAPSA-N 490.560 2.826 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865029873 XFBFSSCSXPWMIX-XMSQKQJNSA-N 490.560 2.914 10 10 JFCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837485 SVAINKIMIKITDF-LBPRGKRZSA-N 451.526 2.946 10 10 JFCE COc1cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)cc(O)c1O 14642646 XGTBMCGGGJLOPS-RBBKRZOGSA-N 456.403 2.831 10 10 JFCE biogenic COc1cc(C(=O)NC2=N[C@@H](c3ccc(Br)cc3)CC(=O)N2)cc(OC)c1OC 20924602 HWDYRXLQYIEKMX-CQSZACIVSA-N 462.300 2.822 10 10 JFCE Cc1occc1C(=O)NC1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 727436581 FIAJWDBVACHWIR-HDICACEKSA-N 486.588 2.851 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCNC(C)=O)CC2)cc1 1870353420 DCIGYPSMXGDEMG-UHFFFAOYSA-N 470.614 2.740 10 10 JFCE COC(=O)/C=C1\SC(N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)=NC1=O 33891002 WSMMLCYJKDBJJC-FTXNUJCXSA-N 478.246 2.796 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1 1858074318 GBVVBLZZQYIWGG-QHCPKHFHSA-N 458.628 2.960 10 10 JFCE O=C(NCCc1nc2ccc(F)cc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860740540 QFGSJZVMTBRRLA-UHFFFAOYSA-N 456.433 2.775 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)cc2)c1 1860850815 MOZVTQOLCOUZEW-UHFFFAOYSA-N 473.577 2.662 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869060636 YQICQUUJMYYUEA-OAHLLOKOSA-N 475.471 2.829 10 10 JFCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCCOC)[nH]1 1871557034 WREIMKUWCYINJY-UHFFFAOYSA-N 477.613 2.805 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865030877 TWNUSEIKHBHRBY-OAQYLSRUSA-N 483.613 2.904 10 10 JFCE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)CC1 1891724830 KPSGLEWNCDTWTE-OFVILXPXSA-N 460.578 2.910 10 10 JFCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O 2294259057 DYYFWEHKRMBVDF-UHFFFAOYSA-N 491.319 2.752 10 10 JFCE CCOC(=O)CSCCOc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1OC 2296660293 UXYZNACVCSZQGY-UHFFFAOYSA-N 456.520 2.832 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)cc1 2297298410 LTYATKNMKOXIRH-UHFFFAOYSA-N 493.213 2.880 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21 2297345469 ZAWTYJYUGNZWRR-UHFFFAOYSA-N 454.489 2.527 10 10 JFCE CCOc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297352656 JVUYDTYWCGPADF-UHFFFAOYSA-N 495.517 2.806 10 10 JFCE O=C1NC(=O)C(=Cc2cc(I)cc(I)c2O)S1 2297453785 KLPMKZUZAWSQTB-UHFFFAOYSA-N 473.029 2.925 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861988063 BROUXGJRIXHFKK-IRLDBZIGSA-N 482.600 2.900 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864011558 VGMIZUPBYQODOZ-JOCHJYFZSA-N 491.592 2.999 10 10 JFCE CN(C1CCC(F)(F)CC1)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4ccccc4O)CC3)CC(=O)N2C1 2080409393 DPFASQPXMSNRAB-SFTDATJTSA-N 490.595 2.726 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296722585 XVYLZGKLDKZWGI-CHWSQXEVSA-N 472.592 2.771 10 10 JFCE CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2313560936 MDHSBYSFTBTDPA-INIZCTEOSA-N 467.279 2.997 10 10 JFCE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1Br 729182148 KYBYAAVIUGGKDD-UHFFFAOYSA-N 468.373 2.788 10 10 JFCE COc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C 1858044336 OAFQAPHAUNQCMI-UHFFFAOYSA-N 450.557 2.977 10 10 JFCE CCCCS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1858623867 IYWNKPWZCBSTOM-UHFFFAOYSA-N 455.536 2.741 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COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2053497384 HUXJORKKVVGWCK-UHFFFAOYSA-N 496.570 2.883 10 10 JFCE COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1O 2294229427 SMXVBGNKACOZFF-UHFFFAOYSA-N 478.280 2.903 10 10 JFCE CCCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2295990397 ALXMVTFLUCQRRY-UHFFFAOYSA-N 462.597 2.507 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N([C@H](CC(C)C)C(=O)O)C3=O)C2=O)cc1 2314435809 PGORYVFSXPICJC-LSDHHAIUSA-N 462.549 2.523 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252668925 FYHVLIOHMZQAMS-QHCPKHFHSA-N 491.569 2.593 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)CC1 1154271600 SOPGDFRNTBSUJO-JOCHJYFZSA-N 454.958 2.678 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3nc(O)c4ccccc4n3)C(C)C)CC2)cc1 1869047175 XGDUZWDVYIKTLN-RUZDIDTESA-N 491.592 2.766 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598688 FXUYKCNMUVMIAU-UHFFFAOYSA-N 468.565 2.801 10 10 JFCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN(C)C)ncnc21 1875206500 ZROLSFRYZFCCOB-UHFFFAOYSA-N 465.602 2.786 10 10 JFCE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)OCC(=O)N2C(C)C)cc1 1891651669 BLIIAXBSVLKTJG-RPBOFIJWSA-N 467.566 2.730 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(O)cc1 26570511 ZUOXHKLDOULEEN-VOSMRYOYSA-N 463.559 2.570 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33516597 RAFILCXHHHQDJO-AQTBWJFISA-N 466.588 2.851 10 10 JFCE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(CC)CC)cc2)CC1 1705634600 CVZAWRVKPBGPPQ-AREMUKBSSA-N 466.630 2.580 10 10 JFCE COc1ccc(OCCNC(=O)c2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 1858253086 ZQBMNLHFKHLLIB-UHFFFAOYSA-N 463.538 2.629 10 10 JFCE CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862164250 FCROTTXEHPGYIS-RCZVLFRGSA-N 492.620 2.677 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864017868 XNEYHYIWCRETLK-FQEVSTJZSA-N 494.548 2.573 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(CCO)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986523 GDIDGAGXECDFJP-UHFFFAOYSA-N 492.599 2.732 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646836 DOQYKSKOOHCFCV-UHFFFAOYSA-N 497.047 2.811 10 10 JFCE CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40938027 IQWOECCQMBCZQJ-YPKPFQOOSA-N 455.355 2.950 10 10 JFCE O=C(O)CCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 210440368 XSQULXOVCCDZBW-WJDWOHSUSA-N 473.488 2.995 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 248070401 SEXNWEVKWUTKEN-VPNCNIILSA-N 480.521 2.980 10 10 JFCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1)C1CC1 1205783903 GWHHCMMYXZYBBF-UHFFFAOYSA-N 456.568 2.758 10 10 JFCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020701 FOYGRMLUNSMVJF-QFIPXVFZSA-N 486.528 2.802 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865025943 GEYZOUULXCZIIX-QFIPXVFZSA-N 493.539 2.805 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)N2CCCCC2)cc1 1866200221 PQRMWRNUVXVSLE-SDHSZQHLSA-N 464.610 2.671 10 10 JFCE CC[C@H](C)N1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169748 FZQSRVDKJLMJRL-SFHVURJKSA-N 450.583 2.894 10 10 JFCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180014 VTIBKYSZVONKOA-OAHLLOKOSA-N 463.515 2.887 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(c4ncnc5[nH]cnc45)C3)cccc21 1874180610 HEGCDTHLUHNFAE-CQSZACIVSA-N 452.474 2.983 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCC(=O)O 16915139 KVPMUVLYLNNQIN-LICLKQGHSA-N 474.516 2.713 10 10 JFCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33673143 UBRXIIOQHCTBBD-KXGFGANYSA-N 487.651 2.747 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-c4nccs4)cc3)CC2)cc1 743432015 DLLDTVSOTQZEAO-UHFFFAOYSA-N 465.579 2.696 10 10 JFCE CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1O 1654118015 WRHUNNKGZJYMJO-FQEVSTJZSA-N 459.978 2.603 10 10 JFCE CC[C@](C)(NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869040254 PTBXKUBOYAWBDA-VWLOTQADSA-N 465.554 2.936 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(-c4ccccc4)n3)CC2)cc1 1869970528 NANOAFCFFVIBIM-UHFFFAOYSA-N 470.537 2.953 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2200965241 VMVMEHHZVBCGAC-FAKFISEUSA-N 467.566 2.780 10 10 JFCE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314831729 QTIQEAAVYASLAT-UHFFFAOYSA-N 451.526 2.947 10 10 JFCE COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OS(C)(=O)=O 34805266 GPCKUEKSWWOPSK-DXHMDVQUSA-N 472.342 2.963 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)CC2)cc1 1318217480 AGPBEIIRWDELAE-VWLOTQADSA-N 477.609 2.975 10 10 JFCE COC(=O)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)C(C)C 1860345259 YBTZXBWKBLLCGJ-QFIPXVFZSA-N 458.518 2.888 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864007364 LHSSYSRHVDCSOB-FQEVSTJZSA-N 483.956 2.618 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864012270 WIVIDGSYSXITRG-NRFANRHFSA-N 482.512 2.637 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864014663 ZYFYTZWDDHVCEF-OXJNMPFZSA-N 470.570 2.893 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865033916 KINXFOCIMMMLCL-CZUORRHYSA-N 496.486 2.791 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871489434 UTVMGUMINGGMEZ-UHFFFAOYSA-N 497.047 2.730 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 1872631369 PSOFJXUPIYFIKU-UHFFFAOYSA-N 479.537 2.604 10 10 JFCE CCN1C(=O)C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296716945 JZYUGKHQRVZMAY-SNVBAGLBSA-N 487.422 2.574 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 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O=C(O)COc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 210502180 PHCQMUGDMDPTSB-PJQLUOCWSA-N 459.457 2.952 10 10 JFCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 1084618183 GUVHITIWPOABJJ-XGICHPGQSA-N 475.251 2.949 10 10 JFCE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1705649539 BDLAPIHLGPFNAD-UHFFFAOYSA-N 492.668 2.699 10 10 JFCE C[C@H](O)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H](N=[N+]=[N-])[C@H]1/C=C/c1ccccc1 1772502473 QVFUCLVZCICLAK-JCXWBYHWSA-N 451.439 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4cccc(C)c4)C3)CC2)cc1 1858407692 PPXSQBARKNEFNQ-OAQYLSRUSA-N 457.596 2.504 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865025513 AQNQJHYODDHEGW-HLFMIMNKSA-N 476.533 2.922 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2 1865030343 IAQODAPCPZCFIQ-OXJNMPFZSA-N 498.580 2.763 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)n(C)n3)CC2)cc1 1869969420 MYDUJPGCODJPTG-LFYBBSHMSA-N 463.498 2.710 10 10 JFCE C[C@@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2080880382 KILACLGMYMXDFJ-ZFWWWQNUSA-N 453.536 2.563 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc1OC 15040546 JLODXQAYTJROGJ-VBKFSLOCSA-N 452.554 2.666 10 10 JFCE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 20568914 OCEHVAJEUUVYQC-FNGUVFISSA-N 451.523 2.613 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C2=O)c1 62059874 FCAPLZRXAVMUCU-NFECSFHCSA-N 495.582 2.697 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(c4cc(-n5ccnc5C)ncn4)CC3)CC2)cc1 70881504 BEQYGTWIEIFDFD-UHFFFAOYSA-N 461.570 2.545 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=N)N21 96460452 DXQHBRUXYLAIEW-XKBVOMFJSA-N 470.374 2.526 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cccc(O)c3O)cc2)cc1 1176566463 XQTLCMUDEJIGAC-UHFFFAOYSA-N 454.504 2.709 10 10 JFCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858039642 SUMHRRIAVBXLMA-JOCHJYFZSA-N 478.549 2.623 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027308 GKOIXEJQZNPAOE-NRFANRHFSA-N 462.506 2.918 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865029121 GITVPTVHICAIEQ-QFIPXVFZSA-N 495.624 2.955 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866239018 BMVWKCDSMZGOSM-NHCUHLMSSA-N 475.634 2.555 10 10 JFCE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)Nc3ccc(N)cc3)[nH]c12 1866529365 BAGOQJOJIMNBSP-UHFFFAOYSA-N 452.511 2.997 10 10 JFCE CCCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040499141 UEFPMYFSMGKIDC-UHFFFAOYSA-N 476.624 2.815 10 10 JFCE O=C1C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2053511899 NODOEXYPHIJORH-UHFFFAOYSA-N 464.572 2.933 10 10 JFCE CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC1 2200952659 UDGQEZJLOPUKTE-IRXDYDNUSA-N 479.574 2.953 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NCCO)nc12 2297312641 FHOWYYQXSMPRBQ-UHFFFAOYSA-N 466.588 2.851 10 10 JFCE CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2313560937 MDHSBYSFTBTDPA-MRXNPFEDSA-N 467.279 2.997 10 10 JFCE CC[C@@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330519046 UYMKVYJRENXDTP-JOCHJYFZSA-N 465.550 2.723 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=O)N=C2S1 20208489 LPBFMCRGUQSWPA-AQECLBTLSA-N 498.542 2.926 10 10 JFCE CCOC(=O)COc1c(/C=C2\C(=N)N3N=C(c4ccncc4)SC3=NC2=O)cccc1OC 102470409 ATKOFRGLWKBBGQ-SOPDNMILSA-N 465.491 2.700 10 10 JFCE N[C@@H](c1cc(I)cc(I)c1O)[C@H](O)C(F)(F)F 575282097 BGFGVORGLUFWES-XPUUQOCRSA-N 472.970 2.524 10 10 JFCE CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 917926271 BHWUJHCDWGJLRH-QGZVFWFLSA-N 457.552 2.543 10 10 JFCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc2nc(O)oc2c1 1858608501 UGUBJQBDAQBQDA-UHFFFAOYSA-N 463.427 2.819 10 10 JFCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014434 VCSXVEWQGSAYCL-FQEVSTJZSA-N 471.602 2.809 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 1869008758 IKZKKVUIWUNLTL-UHFFFAOYSA-N 478.593 2.806 10 10 JFCE C[C@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C[C@@H]1NC(=O)OC(C)(C)C 2200964883 RQLKYFNPUODIGM-XIRDDKMYSA-N 479.574 2.905 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2314836966 MKRKDUSBXFMSCZ-GFCCVEGCSA-N 477.589 2.571 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33807104 GXRUGPQRMMPDQM-LICLKQGHSA-N 470.551 2.948 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)CC1 1561468517 GHJLYRIHNPUPRA-UHFFFAOYSA-N 457.474 2.732 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 1705994592 PATQNDNAOAPXOT-GOSISDBHSA-N 472.609 2.948 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1749785097 YJZHWCHZTBYXLV-NRFANRHFSA-N 454.619 2.765 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864007942 XWOYCUMLEXOLGG-DYESRHJHSA-N 462.506 2.582 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1 1864011121 ZOMZIORAFDWHDE-QFIPXVFZSA-N 488.548 2.943 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865028598 XGDVMYMNODOQRZ-HSZRJFAPSA-N 489.576 2.839 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cc(C)ccc3O)CC2)cc1 1865192973 BGVSBXLIEQEQTM-QHCPKHFHSA-N 489.576 2.795 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCc3cnc[nH]3)CC2)cc1 1870541010 YYBPISCHAAITBR-UHFFFAOYSA-N 495.624 2.949 10 10 JFCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccccc1[N+](=O)[O-] 2053505711 VGENEYUZIBNMOB-UHFFFAOYSA-N 457.489 2.955 10 10 JFCE CON(CCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2200962345 NQNBZAIIQCRHRA-INIZCTEOSA-N 483.562 2.838 10 10 JFCE CN1CCN(N2C(=O)C(=Cc3ccccc3OCC(=O)Nc3nccs3)SC2=S)CC1 2314488600 LLLPFVDGQHXHTE-UHFFFAOYSA-N 475.621 2.524 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5)n3)cc2NC1=O 11857973 NEADJDBXZFLOFG-SNVBAGLBSA-N 456.505 2.825 10 10 JFCE COc1ccc(N2CCN(c3ncnc(N4CCN(Cc5ccccc5)CC4)c3N)CC2)cc1 40727629 MNPRWTOTXHNBSM-UHFFFAOYSA-N 459.598 2.716 10 10 JFCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 102466346 MEHFSERVOVLPPR-NMAPKEJLSA-N 492.517 2.887 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1541003240 YWZTZKHWXVMCPB-GBXCKJPGSA-N 481.689 2.987 10 10 JFCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1O 1615559193 MKOFUICHCILYLU-UHFFFAOYSA-N 450.944 2.610 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cscc3Br)cc2)CC1 1661395341 RORTZKHAJQLLBC-UHFFFAOYSA-N 458.403 2.658 10 10 JFCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1858693313 GKPPRSPLKSQANG-HNNXBMFYSA-N 456.484 2.995 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010535 NEQAPUZKSUHTGW-QHCPKHFHSA-N 486.528 2.938 10 10 JFCE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1868017062 MMGAXDIZARTMNQ-SBUREZEXSA-N 492.576 2.779 10 10 JFCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1869219238 RXDHKYZWJAUYOE-UHFFFAOYSA-N 491.644 2.528 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3CCO)CC2)cc1 1870601754 XMNVASJBVNHFSI-UHFFFAOYSA-N 479.577 2.629 10 10 JFCE CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 19848983 XVLZDGWUSHUVAJ-DLRJPAPCSA-N 459.296 2.838 10 10 JFCE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)CC1 33248639 AUQUNUFCQWJFFS-DTQAZKPQSA-N 472.592 2.997 10 10 JFCE CCOC(=O)CN1C(=O)/C(=C\c2cc(I)c(O)c(OC)c2)SC1=S 33332515 IOGOTAPWGZCRBN-IZZDOVSWSA-N 479.317 2.770 10 10 JFCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96459887 TZGJLEFQFYYRDS-VRENQZFPSA-N 457.537 2.724 10 10 JFCE CC(=O)[C@H](N=Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 255995781 PXMLTVJEYHGPEH-NRFANRHFSA-N 499.487 2.887 10 10 JFCE O=C(Cc1ccc(N2CCOCC2)cc1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868143915 DSIAJPXQFYOQEL-UHFFFAOYSA-N 483.524 2.596 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)n(C)n3)CC2)cc1 1869969875 WVRGIFZLQFVFMG-UHFFFAOYSA-N 496.484 2.527 10 10 JFCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NC[C@H]2CCCO2)[nH]1 1871556658 UISGWNJABLMIDP-HSZRJFAPSA-N 489.624 2.948 10 10 JFCE O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016625 HNSBMVCDYCLSQQ-ZWKOTPCHSA-N 495.535 2.988 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C 2313682752 JZVOXGSVUNBFSG-UHFFFAOYSA-N 472.527 2.689 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)ccc1O 2314831350 JBHNHXZULZAZCE-UHFFFAOYSA-N 452.554 2.753 10 10 JFCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837472 SPVSXMJTALEXCI-SNVBAGLBSA-N 498.007 2.921 10 10 JFCE Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 102683871 ANCHOWIBKSYOKZ-LDADJPATSA-N 481.603 2.749 10 10 JFCE CC(=O)N1CCN(C(=O)CCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 1293063599 SYLLRSHRBQOWEU-UHFFFAOYSA-N 450.543 2.979 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864012218 USQINFIGWWJPKG-JOCHJYFZSA-N 496.539 2.764 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(C)n3)CC2)cc1 1869282790 JEOMIQWRJAASBT-UHFFFAOYSA-N 466.630 2.669 10 10 JFCE O=C(O)CCCCN1C(=O)C[C@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C1=O 2314832405 GPYBLUPZHPGBSC-ZDUSSCGKSA-N 452.941 2.924 10 10 JFCE COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)c1 16921914 ZTNWZKZIGIIAJU-PXNMLYILSA-N 472.500 2.932 10 10 JFCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1CCCCO1 21986105 KXQHLSHXOBDVOL-FXFTYNISSA-N 482.485 2.732 10 10 JFCE CCOCCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33933612 IVITYDXXTLDURX-OVGFGYAMSA-N 474.608 2.913 10 10 JFCE COc1ccc(N2CCN(CCNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)cc1 742926553 GRWFYGUVFYITQZ-UHFFFAOYSA-N 464.526 2.802 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N(CCN(C)C)Cc3cccc(F)c3)CC2)cc1 744868664 FXVXFGMFUFLULI-UHFFFAOYSA-N 457.594 2.730 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3c(F)cccc3F)cc2)cc1 1858961120 XNAMGGHSJNDJBR-UHFFFAOYSA-N 475.473 2.883 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864020251 XETJEJPGLVSXGQ-GCJKJVERSA-N 490.560 2.895 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2357907634 PCRBKTHPJLRBIA-BBWFWOEESA-N 479.574 2.953 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(OC(C)C)cc3)CC2)cc1 11796480 PXJNMZOTAZDWFR-UHFFFAOYSA-N 475.611 2.754 10 10 JFCE CC[C@@](C)(NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862268080 ICROLKXOJYAFCQ-RUZDIDTESA-N 455.555 2.716 10 10 JFCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007284 JSADLNROABSSOZ-FQEVSTJZSA-N 450.495 2.821 10 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JFCE CC[C@@H](NC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330552280 HIMSGUMLRPODFR-JOCHJYFZSA-N 497.592 2.978 10 10 JFCE COC(=O)/C=C1\SC(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)=NC1=O 33891000 WSMMLCYJKDBJJC-UJNBGNEJSA-N 478.246 2.796 10 10 JFCE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(C)=O 1772762545 UIFVWDCYKFEAGL-OACWRPJVSA-N 451.522 2.952 10 10 JFCE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016520 RIPYHQXJYNZVHW-FQEVSTJZSA-N 477.565 2.651 10 10 JFCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1869130341 OHSYWVMVBBMICU-SFTDATJTSA-N 468.646 2.920 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871717862 YZJRMHZWQZYSPA-UHFFFAOYSA-N 493.612 2.727 10 10 JFCE O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296939580 YKAWYMLGLGMAES-UHFFFAOYSA-N 452.555 2.707 10 10 JFCE CC(C)CCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33615796 KOQZIZABEUDRSY-GHRIWEEISA-N 485.635 2.644 10 10 JFCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCCC(=O)O 210466462 HJIXTPOGCITZDO-ATVHPVEESA-N 473.532 2.880 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254479236 OJERANKFFHHMFL-HXUWFJFHSA-N 453.589 2.926 10 10 JFCE CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]31)C(=O)N2 1565531997 RLUGXWLFCZJFNM-JKFQUMNASA-N 489.572 2.956 10 10 JFCE CC(=O)O[C@H]1CO[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@H](OC(C)=O)[C@H]1OC(C)=O 1565534671 VSDDSBSJVSEXOW-ADXHGGABSA-N 496.468 2.990 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009656 JOHLAULWCPVJOV-NRFANRHFSA-N 479.537 2.613 10 10 JFCE Cc1cc(C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1866834396 SDMNPAKWJUNTEP-QHCPKHFHSA-N 494.507 2.686 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3cc(=O)oc4ccc(C)cc34)CC2)cc1 1872635071 CZGVQQPEPIXJAQ-UHFFFAOYSA-N 490.516 2.963 10 10 JFCE CC[C@@H](C)N1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169745 FZQSRVDKJLMJRL-GOSISDBHSA-N 450.583 2.894 10 10 JFCE COc1ccc(N2CCN(c3nc(NCCO)c4cnn(-c5ccc(F)cc5)c4n3)CC2)cc1 1873486937 WGDXQXXUKZPLRH-UHFFFAOYSA-N 463.517 2.694 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314189 RVUXUCGBYRQWAF-DEOSSOPVSA-N 487.604 2.661 10 10 JFCE CCOC(=O)/C=c1/s/c(=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(=O)n1Cc1cccc(F)c1 102959504 WYQMIBHCMBFJRS-OQRYGUKSSA-N 497.548 2.778 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865027552 JLQGZBDQLUIABL-VFNWGFHPSA-N 496.951 2.923 10 10 JFCE CCc1sc(NC(=O)CC[C@H](N)C(O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865959590 YMXSDYOUUUJWMB-LBPRGKRZSA-N 471.373 2.883 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc(N4CCOCC4)cc3)C(C)C)CC2)cc1 1868813078 BUCHSNQUKVHKOO-HHHXNRCGSA-N 494.636 2.564 10 10 JFCE CCOC(=O)N1CCN(C(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)CC1 2053498245 JZLNZSRCQUBMDX-UHFFFAOYSA-N 450.539 2.824 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248259610 VUFGWMIIVSRNEZ-RJESQKRESA-N 491.544 2.994 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 1858074551 LLXQELGFHSTVTE-DEOSSOPVSA-N 488.654 2.586 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 1861978666 KUNYEDSHBYYSCF-NRFANRHFSA-N 468.573 2.511 10 10 JFCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864012211 UPNOEHZZOZDPLH-JTSKRJEESA-N 494.523 2.780 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865031430 GRSULOVBFRHEGX-XLIONFOSSA-N 476.533 2.659 10 10 JFCE O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178973 FBMCDZZZBRQJRJ-FQEVSTJZSA-N 453.454 2.931 10 10 JFCE COCCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1874179098 NLSGKOGSXJJSGW-UHFFFAOYSA-N 454.438 2.957 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(F)cc(N4CCOCC4)c3)CC2)cc1 748446579 ARKNWPVJITUNCP-UHFFFAOYSA-N 457.550 2.615 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1749797857 VVZDROZHTJOYCP-LJQANCHMSA-N 453.566 2.842 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3cccs3)cc2)cc1 1859004107 DJUQFLMYBVUAOX-UHFFFAOYSA-N 459.549 2.709 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)NC3CCCCC3)c3ccccc32)SC1=S 1860827444 YLCTUMYUWZJGHT-HNENSFHCSA-N 473.576 2.528 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861939616 UKLQFGWRZQJLGH-QHCPKHFHSA-N 481.593 2.985 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864022422 WDNXKTAIGXHLER-NRFANRHFSA-N 494.548 2.905 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(CC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865033757 HQHKPZSXAZGJQB-MRXNPFEDSA-N 495.502 2.582 10 10 JFCE CCCCOc1ccc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 2314541447 LYNZSGATVMABGU-CYBMUJFWSA-N 452.554 2.794 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)cc1 16921990 FXRMTBOQELOAMU-PXNMLYILSA-N 472.500 2.932 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1861931769 NRTIOWOUQNMYPO-OAQYLSRUSA-N 483.565 2.674 10 10 JFCE CCC[C@@H](NC(=O)c1ccc(=O)n(CCC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861986799 VGDPGNXDLNNFGA-JOCHJYFZSA-N 454.571 2.514 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864017942 YWRLBPBIEKGRKA-NRFANRHFSA-N 477.565 2.608 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3sc(C)nc3C)CC2)cc1 1868584003 BGYIYSFHALFDCG-HXUWFJFHSA-N 476.668 2.898 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(OCC(C)C)cc4)n(C)[nH]3)CC2)cc1 1869969527 OYVSMIPHULLAJF-UHFFFAOYSA-N 464.570 2.859 10 10 JFCE CC(C)c1ccc(C=C2SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 2296885539 ZFWVTGWQUOWFMT-INIZCTEOSA-N 450.607 2.828 10 10 JFCE COc1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1[N+](=O)[O-] 2313518370 XGDUZTYFIGWNRN-UHFFFAOYSA-N 465.203 2.669 10 10 JFCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc2NC1=O 11857885 FHXBDWVEJPJURM-SECBINFHSA-N 458.477 2.765 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(Br)cc54)c3=O)CC2)cc1 35423652 OOVXCCANLXRGCZ-UHFFFAOYSA-N 496.365 2.998 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCS(C)(=O)=O)CC1 1359374509 FVIUCRJSXFATQH-UHFFFAOYSA-N 498.653 2.846 10 10 JFCE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N[C@@H](C)c3ccccc3O)cc2)CC1 1630970385 OLLUQHSLFBORKR-IBGZPJMESA-N 454.571 2.538 10 10 JFCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCn1cc(CO)nn1 1705478787 FZVJJLRPOXIBIA-GOSISDBHSA-N 458.570 2.985 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864023202 VOAYPYGBGKRIQA-INIZCTEOSA-N 497.518 2.876 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCCOCCO)nc12 2040470027 BBZJDALSRIMYDD-UHFFFAOYSA-N 496.614 2.825 10 10 JFCE Cc1ccc2nc(NCCCO)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2040499095 SYYPUORMOJOYKJ-UHFFFAOYSA-N 456.549 2.792 10 10 JFCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc2N(C)C1=O 11857897 MMLVYBWAKFRZSX-NSHDSACASA-N 486.531 2.800 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCCCO)nc12 102824312 LRHUQNWKGZFTKR-LFIBNONCSA-N 456.549 2.792 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 1565532125 GYANDCQRFGDFAY-NQFDHYDMSA-N 469.925 2.513 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862261411 KAOUPARNNVSSLW-NCMXAVOXSA-N 495.601 2.745 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864015028 IISXINJMTUMCIP-QRWLVFNGSA-N 478.549 2.809 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@H]2c1ccc(O)c(O)c1 1864016824 YEFLTKIEISUHJG-FQEVSTJZSA-N 486.532 2.758 10 10 JFCE O=C(Cc1cc(-c2ccccc2)on1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866913670 YABGFRVUTIVXPX-QFIPXVFZSA-N 495.491 2.775 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C(=N)N21 2297345464 YOBDWPBBHGMSKN-UHFFFAOYSA-N 460.518 2.589 10 10 JFCE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 39716349 QQKZQVAXUFZTPK-LALVZXCMSA-N 472.592 2.771 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152209 MSWMQMUVLVHQCQ-QINSGFPZSA-N 451.526 2.947 10 10 JFCE O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(CN4CCOCC4)s3)cc2o1 170548748 ZCPIISJORSVNKJ-UHFFFAOYSA-N 472.548 2.878 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21 248375556 BAQUBCBADCKCTH-RIZMYQCXSA-N 450.491 2.914 10 10 JFCE CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 504708128 GYANDCQRFGDFAY-SNMLTONSSA-N 469.925 2.513 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)cc2C)C1 1690791915 FDLUTMGFIGQILY-NRFANRHFSA-N 461.614 2.991 10 10 JFCE COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccc(Br)s1 1858038209 SSFZOFPSDBOALI-UHFFFAOYSA-N 460.375 2.598 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 1861997917 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XIIUHAGMTCVPRB-DNQXCXABSA-N 483.634 2.941 10 10 JFCE CC(C)(NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866907639 VUXKZOPZRJPGBT-HNNXBMFYSA-N 482.558 2.510 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5OC(C)=CC5=NC4=O)cc3)nc2s1 2297350843 OPNDCRKGSDUKMV-UHFFFAOYSA-N 462.491 2.743 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 16915863 XSLDSZRMSDTOLY-GZTJUZNOSA-N 494.572 2.643 10 10 JFCE COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 34799004 OELLQUYQIFQZLW-MOSHPQCFSA-N 455.536 2.998 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248082124 VOGYDVVWWSCJNR-IMIIHFCZSA-N 465.550 2.570 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNCc2cc(Br)ccc2O)C1 721728750 ZMRRMQUULDGJGM-HNNXBMFYSA-N 463.394 2.669 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861957015 WPLNRGZTTSVOOA-LZMFZKJZSA-N 464.522 2.956 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3)CC2)cc1 1862113738 ZAOBBHRLHNVMKO-XMMPIXPASA-N 462.525 2.919 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019474 ZQZIJXUTFAYQSA-NRFANRHFSA-N 493.564 2.867 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865038092 UICWMDNXHUNIFV-FQEVSTJZSA-N 498.580 2.573 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCCC[C@H]2CCO)n1 1867953296 XLFCZGQVJSBQFS-NRFANRHFSA-N 455.603 2.742 10 10 JFCE COc1cc(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O 2313558737 INMVHZLIUKXKFS-UHFFFAOYSA-N 498.273 2.976 10 10 JFCE COc1ccccc1-n1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(O)cc1=O 170554159 YXHGZCLOPDOWHM-UHFFFAOYSA-N 467.437 2.974 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(F)c(F)c3F)CC2)cc1 1862270576 BZSLOUIBXJFFFI-GOSISDBHSA-N 465.497 2.976 10 10 JFCE CCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868806839 GIIHYDZXVWJBGR-SANMLTNESA-N 494.636 2.708 10 10 JFCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873165700 QDYYTTWRROZBHJ-UHFFFAOYSA-N 480.609 2.522 10 10 JFCE COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(C(=O)O)c1OC 2314929237 JRAMIGBBKKKCCJ-UHFFFAOYSA-N 494.572 2.805 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc1OC 15036559 YBJSMBJCAUPMEE-WJDWOHSUSA-N 452.554 2.666 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)CC2)cc1 771824989 GNGRZDSYDOVURC-UHFFFAOYSA-N 486.576 2.902 10 10 JFCE COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N(CCO)C(C)(C)C)C2=O)cc1 1081155428 KFSRPPAVDVWZGB-SSZFMOIBSA-N 450.582 2.684 10 10 JFCE CC[C@H](C)OC(=O)[C@@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827207 UWMSWBXJHLFAOU-HKJLGXDQSA-N 462.549 2.810 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864008605 NWJNQBJCALYDAK-QFIPXVFZSA-N 478.549 2.887 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012353 YDLLOVABUUGCOP-QFIPXVFZSA-N 478.549 2.725 10 10 JFCE COc1ccc(CN2C(=O)C(=Cc3c(NCCO)nc4c(C)cccn4c3=O)SC2=S)cc1 2053510871 VHHSEPYMLCWOLH-UHFFFAOYSA-N 482.587 2.817 10 10 JFCE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314831182 FFJIQWNRYIWPAH-UHFFFAOYSA-N 451.526 2.947 10 10 JFCE COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)c1 20496626 CFKQINWMNSHOIA-UHFFFAOYSA-N 461.540 2.684 10 10 JFCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 248035339 JFHMMQSKGGIEGV-SDHSZQHLSA-N 478.593 2.900 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)CC2)cc1 729346886 FULROSYKYPIAJO-UHFFFAOYSA-N 470.467 2.921 10 10 JFCE COc1ccc(N2CCC(O)(CN3[C@H](CNC(C)=O)C[C@]4(C)[C@@H]3CCCC[C@]4(C)O)CC2)cc1 1615193231 SDMPNXRYFOXZOM-MNPUUQGPSA-N 473.658 2.937 10 10 JFCE CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1O 1654118017 WRHUNNKGZJYMJO-HXUWFJFHSA-N 459.978 2.603 10 10 JFCE COc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(C)c1 1858044187 KVHBRGCSCYAKHY-UHFFFAOYSA-N 450.557 2.977 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccc(F)cc3)cc2)cc1 1859005446 QEOQGEXXJZCDPC-UHFFFAOYSA-N 471.510 2.787 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012961 MYHKTJFNMMOJSH-OAQYLSRUSA-N 496.539 2.891 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864018428 KYTSTNUONBCFAS-NRFANRHFSA-N 478.549 2.939 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865033374 YIYZUPOARWYMFB-JOCHJYFZSA-N 490.560 2.771 10 10 JFCE COc1cc2[nH]c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2cc1OC 1866543069 FCDNSAHCDDNGKH-HSZRJFAPSA-N 461.522 2.864 10 10 JFCE COc1ccc(OCCOc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872682126 NAJGCCUYPYGWSL-UHFFFAOYSA-N 454.483 2.507 10 10 JFCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314769370 PGJUZQSSLUUGNO-OAQYLSRUSA-N 498.582 2.951 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812077 XSUOTHKZVBGZKM-NWRYFCBHSA-N 474.608 2.868 10 10 JFCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152425 SVAINKIMIKITDF-QJMZJAKPSA-N 451.526 2.946 10 10 JFCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=N)N21 96460914 XYUYVAXQQWWZQT-RFGHJEIASA-N 484.401 2.915 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1 254330866 SFMDZWXOIJXMDK-QHCPKHFHSA-N 493.633 2.686 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4cccnc4)n4ccccc34)CC2)cc1 1858224241 RBHBOAGOWXYFHE-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4cccc(C)c4)C3)CC2)cc1 1858407691 PPXSQBARKNEFNQ-NRFANRHFSA-N 457.596 2.504 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)cc2)c1 1860866388 YHBRSRDITMECQM-UHFFFAOYSA-N 459.550 2.666 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871571498 GGSYUKAZGHHMJI-UHFFFAOYSA-N 469.977 2.738 10 10 JFCE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2 2136313006 UXVAJIDPTDAVHH-GDBMZVCRSA-N 463.535 2.551 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)CC2)cc1 743432132 GRDLJCKKJCVLDX-UHFFFAOYSA-N 493.539 2.899 10 10 JFCE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705755007 KCDJPLXVXBOEPF-KRWDZBQOSA-N 466.007 2.658 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1ccc(O)c(O)c1 1865032015 SWODOTJCPKSBMT-HXUWFJFHSA-N 476.533 2.515 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccs3)CC2)cc1 1865320068 DJQPZZOKNFFKGQ-FQEVSTJZSA-N 465.579 2.842 10 10 JFCE COCCn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 2297508779 JGRLEJZVVGSFDG-UHFFFAOYSA-N 481.574 2.826 10 10 JFCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2313557282 ZFXUIVQUJHACER-UHFFFAOYSA-N 492.919 2.820 10 10 JFCE CN(Cc1ccccc1)C(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326943721 FGVVLNJFDFHCNU-UHFFFAOYSA-N 495.582 2.738 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)/C=C3/Sc4ccccc4NC3=O)CC2)cc1 3049756 RPYNNQKYBPRSSC-OQKWZONESA-N 452.580 2.952 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857879 ANGNPHMPZZMMCY-UHFFFAOYSA-N 472.504 2.709 10 10 JFCE COc1ccc(/C=C2\SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1OC 20258846 FBPVDHVVXDAZBS-GDNBJRDFSA-N 461.546 2.559 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 254814118 YWXDSKQZJXAVFZ-XMMPIXPASA-N 489.597 2.635 10 10 JFCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc(OC)c1OC 1858044135 IHYDIRXJLNDEPW-UHFFFAOYSA-N 489.594 2.787 10 10 JFCE CC(C)N1C[C@H](NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1=O 1860347305 IYGJPBLBOOACCZ-CLYVBNDRSA-N 485.588 2.914 10 10 JFCE CN(C)c1ccc([C@H](NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2nccn2C)cc1 1866023653 FIOXKJIPAPRWHE-QFIPXVFZSA-N 490.520 2.676 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@@H]3C[C@H]3c3ccccc3)cccc21 1867058619 LRMYEWAEBGTSQK-VWPQPMDRSA-N 454.482 2.681 10 10 JFCE CCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870477628 SDPHQRJGQDTSFL-UHFFFAOYSA-N 457.571 2.920 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C 2294095317 PNVYNOHONQXMIZ-UHFFFAOYSA-N 486.528 2.783 10 10 JFCE Cc1c(NC=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C 2296926558 UFZBZMALRDCMAT-UHFFFAOYSA-N 467.938 2.882 10 10 JFCE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2CC(=O)NCc2ccccc2)cc1 248039621 KJDPULORBIFBHR-OYUWMTPXSA-N 498.583 2.911 10 10 JFCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029885 XPLURKSLBUXXJZ-QFIPXVFZSA-N 490.560 2.849 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865030357 IFZKLFLXGDMMIE-OAQYLSRUSA-N 484.597 2.828 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007078 FRRSJUCULFSRRJ-JOCHJYFZSA-N 494.548 2.836 10 10 JFCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020700 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35962917 KQMDDBJNULYUCF-VWLOTQADSA-N 495.599 2.803 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4cc(C)ccc4F)cc3O)cc2)CC1 1556199603 PVLKAHVDGQEESL-UHFFFAOYSA-N 451.502 2.624 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865030809 RMPQYJXAEDSIRJ-LJQANCHMSA-N 458.559 2.582 10 10 JFCE CC(=O)Oc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867710660 YYVSEWBKDHJKCU-DEOSSOPVSA-N 466.582 2.751 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871691499 RGSLCFDGSVLHIW-UHFFFAOYSA-N 492.628 2.663 10 10 JFCE COc1ccc(CN2C(=O)C(=Cc3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 2053509531 YMEFXPZTQNXJMY-UHFFFAOYSA-N 482.587 2.817 10 10 JFCE COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)c1 59086967 HUVQXPDRFLEIOL-IAGYGMIVSA-N 464.396 2.713 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)cc2C)C1 1359361975 PFJOQAXWXXYITQ-JOCHJYFZSA-N 461.614 2.991 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 1565532485 RGGHTDNUGBUOLN-UTUKBTMOSA-N 469.925 2.513 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862133789 NDWSXEIEIPMDCH-UHFFFAOYSA-N 494.636 2.966 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864015406 QLZRYRAELSDCCJ-AWEZNQCLSA-N 480.468 2.965 10 10 JFCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864020016 UHXMJENLMGWVHW-IBGZPJMESA-N 484.940 2.957 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865034005 MXZAKWSFROCWDK-ZIBATOQPSA-N 482.459 2.663 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1866025030 PDIUZPIJZCVRMS-OAQYLSRUSA-N 479.537 2.600 10 10 JFCE CC(=O)Nc1ccc2c(=O)c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c2c1 1866438057 OIRQLCSWLGITCD-JOCHJYFZSA-N 458.522 2.805 10 10 JFCE CCC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585854 DRABYNXWUNPGOQ-YWZLYKJASA-N 482.558 2.510 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1872956232 FOPQKCACWOQVCM-UHFFFAOYSA-N 451.504 2.580 10 10 JFCE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136243158 DCHRIHNFCBXQFF-HNNXBMFYSA-N 467.563 2.953 10 10 JFCE Cc1c(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296179576 GYUGRBLPJBDKAW-UHFFFAOYSA-N 451.870 2.717 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1OC 2314833793 WHYKXMZCFZNWJN-OAHLLOKOSA-N 498.538 2.935 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865034150 QMMHMINRSLCZCS-HNNXBMFYSA-N 484.475 2.505 10 10 JFCE O=C(O)CN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296849786 SXRUKMITWWDEHM-UHFFFAOYSA-N 478.555 2.543 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1 2328618164 OKKPXYUTHVQUCF-HSZRJFAPSA-N 464.522 2.956 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2357907787 UZKULBSGESPENW-BBWFWOEESA-N 479.574 2.953 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11857933 BDBJKXCJDGKMJH-UHFFFAOYSA-N 498.542 2.904 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)/C=C3\Sc4ccccc4NC3=O)CC2)cc1 20727214 RPYNNQKYBPRSSC-XLNRJJMWSA-N 452.580 2.952 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731400398 CDDHTANOFVAWHL-LJQANCHMSA-N 477.558 2.937 10 10 JFCE CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1475000419 KOXXOKDGWIOVIM-SFHVURJKSA-N 451.976 2.971 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4cccc(OC)c4)c(C)[nH]3)CC2)cc1 1858547539 AVQDWMXOHSDGEB-UHFFFAOYSA-N 491.592 2.671 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 1862196205 NDCBATRNFWUBBT-UHFFFAOYSA-N 452.338 2.846 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864015115 JURPSRRDOXUNPY-MRXNPFEDSA-N 490.438 2.740 10 10 JFCE CC[C@@](C)(NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866584755 BWBALGCDCANXIM-ODCWNRFASA-N 482.558 2.510 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868875813 QNUBPXUKAFRDRR-JPYJTQIMSA-N 477.565 2.762 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCO3)CC2)cc1 1874642792 NEMJVKSTAIJGKX-JWQCQUIFSA-N 476.577 2.732 10 10 JFCE CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)NC1=S 2297555739 IDZQNDWPBVUOHA-UHFFFAOYSA-N 475.320 2.983 10 10 JFCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314837403 RXOQCKARWAVSKA-SECBINFHSA-N 473.370 2.725 10 10 JFCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 10907364 NNNCDDWHRUKNDF-UHFFFAOYSA-N 472.549 2.537 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)CC1 1722745249 YHCHJVSUBVWVFD-UHFFFAOYSA-N 465.649 2.502 10 10 JFCE COc1cc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 1859466114 HNHSEJKAZXMHDF-UHFFFAOYSA-N 474.469 2.856 10 10 JFCE CCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861927523 AKAMYQPMZGLHGS-NRFANRHFSA-N 455.555 2.960 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864015679 CUCYNXDZZYPCJG-IFXJQAMLSA-N 464.522 2.563 10 10 JFCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865028029 NXYNIWBRGUHPNW-QHCPKHFHSA-N 489.576 2.759 10 10 JFCE CN1CCN(c2ccc3[nH]c(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc(=O)c3c2)CC1 1866524396 LJLCCSXOZFZGSY-SANMLTNESA-N 499.619 2.599 10 10 JFCE CCOc1ccc(CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869969542 PWYGINANLKTZCM-UHFFFAOYSA-N 450.543 2.730 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871717792 WEHOEHGLEVCLBS-UHFFFAOYSA-N 484.564 2.507 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164486 DPENWRHXJPIDND-UHFFFAOYSA-N 460.582 2.612 10 10 JFCE CCN(CC)CCN1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164931 ZCQWFDHPWGICKZ-UHFFFAOYSA-N 451.615 2.667 10 10 JFCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(O)c(Br)c3)C(=O)N=C2S1 20208709 DLFKHOGOGJUHLI-BOEBPHRNSA-N 471.358 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)CC2)cc1 25500574 RUVYEMMUKNRJPJ-HSZRJFAPSA-N 455.555 2.816 10 10 JFCE COC[C@@H]1[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCCN1Cc1ccccc1 575557608 GLGZKXGIKHGYEJ-CLJLJLNGSA-N 450.627 2.982 10 10 JFCE CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 1211008524 ACHFZWSLAIWMKF-UHFFFAOYSA-N 456.612 2.680 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)cc1 1858960242 NQVIGIFEEPLMMY-UHFFFAOYSA-N 461.446 2.954 10 10 JFCE COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCNCC3)C2=O)cc1 17085516 WPYXDQRLQXYWDI-UYRXBGFRSA-N 465.466 2.515 10 10 JFCE COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(OC)cc3)C[C@H]12 35894554 CKVLEFJDSKMWKD-FYYLOGMGSA-N 454.527 2.624 10 10 JFCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(O)c(Br)c3)C(=N)N21 96460733 NXSQLTXDJPPHCC-BOEBPHRNSA-N 471.358 2.802 10 10 JFCE COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 101455260 KMAMBUDAFBCZKZ-LIOBOASVSA-N 461.473 2.862 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032790 KSSWNJAKJQFIPN-JOCHJYFZSA-N 490.560 2.767 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871722461 HMNLLNYRMOONIN-LJQANCHMSA-N 493.612 2.952 10 10 JFCE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OS(C)(=O)=O 2297458176 GPCKUEKSWWOPSK-UHFFFAOYSA-N 472.342 2.963 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c(C)c1 2313548551 YDFOKYULGNMUED-UHFFFAOYSA-N 450.451 2.715 10 10 JFCE COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O 14436189 WVRDOLPMKOCJRJ-KNQAVFIVSA-N 472.402 2.536 10 10 JFCE biogenic CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 33474226 ZNUMUCIRFQPUBD-QGOAFFKASA-N 476.624 2.513 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3cccs3)CC2)cc1 38483594 UMFFDBIWASLWBC-UHFFFAOYSA-N 477.594 2.582 10 10 JFCE CCCCn1c(N)c(N(C)C(=O)/C=C\c2cc(C)n(-c3ccnn3C(C)C)c2C)c(=O)[nH]c1=O 96842747 MRZSFIRYIQSMTN-KTKRTIGZSA-N 467.574 2.780 10 10 JFCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)cc1OC 101974279 WHYKXMZCFZNWJN-YQYFLZKSSA-N 498.538 2.935 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccncc4)n4ccccc34)CC2)cc1 1858224214 PYVAQHDQNOLMRC-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5ccccc5OC)CC4)ncn3)CC2)cc1 1858252331 VCZTWDZBJZEOGN-UHFFFAOYSA-N 488.592 2.783 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864013281 UYNOQENOUJWIHK-UXHICEINSA-N 498.967 2.982 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865035157 MLRXZRZSWFKPGV-CKFHNAJUSA-N 456.543 2.597 10 10 JFCE Nc1ccc(CCC(=O)Nc2c(I)ncnc2I)cc1 2177523451 OQDBYNBVWFYFCW-UHFFFAOYSA-N 494.074 2.839 10 10 JFCE CCCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 20331988 LZTLGUNZOMXALU-HINGXDCCSA-N 479.547 2.931 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314190 RVUXUCGBYRQWAF-XMMPIXPASA-N 487.604 2.661 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CC)CCO)[C@@H]2c1ccc(O)c(O)c1 1865031245 CGSQZOIKJRYCAH-HXUWFJFHSA-N 478.549 2.907 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCN(C)C)C2=O)cc1 1873166433 PQNDTFKDXRNUQU-QFIPXVFZSA-N 450.583 2.894 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2238891343 DHRRFLQQJMEOCR-YPCHGGDPSA-N 477.558 2.659 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)cc1 16911541 PLOLQTUNTVMYRN-SFQUDFHCSA-N 478.573 2.943 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)C1CCC1 40389477 PEWGRTNFYVKLOA-OAQYLSRUSA-N 466.538 2.707 10 10 JFCE COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1nc2ccccc2c(=O)[nH]1 96941899 RWFZNMJJFVPCBD-RQZCQDPDSA-N 483.527 2.797 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccs1 1081808855 UDISLCJTMCWODQ-QFIPXVFZSA-N 495.626 2.696 10 10 JFCE COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(N3CCCC3)cc1)CC2 20996654 XDRCIJORFOVZBG-UHFFFAOYSA-N 450.583 2.751 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cccnc4)on3)C(C)C)CC2)cc1 1868982016 UYQNEGAIFDUORW-HSZRJFAPSA-N 463.538 2.848 10 10 JFCE COc1ccc(OCCCOc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872682562 GCQAYFHDJFLZNN-UHFFFAOYSA-N 468.510 2.897 10 10 JFCE COc1ccc(N2C(=O)C(=Cc3[nH]c4ccccc4c3CCNC(C)=O)C(=O)NC2=S)cc1 2297638972 NEVSRPHCKIOTQF-UHFFFAOYSA-N 462.531 2.686 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1 101350755 YQVVXCLQZLWDLL-HMMYKYKNSA-N 468.535 2.748 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 746426108 ZXVUVUJCQDCJBB-UHFFFAOYSA-N 484.622 2.645 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)[C@H](C)C1 1508261078 YLONNDQXZXISTA-MRXNPFEDSA-N 457.629 2.960 10 10 JFCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865035528 WDNKRRJOKNEALR-NRFANRHFSA-N 494.523 2.598 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868962117 QWULMHUNAVTXNH-KRWDZBQOSA-N 464.522 2.826 10 10 JFCE COCCc1nc(N2CCC(n3cnnc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869115709 RVKKJSQCYIUEQO-UHFFFAOYSA-N 492.628 2.742 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCNC(=O)OCc1ccccc1 2022909334 BOTGKFFOOISYJE-SFHVURJKSA-N 473.526 2.576 10 10 JFCE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2297464103 NNUDADPWBPIDIL-UHFFFAOYSA-N 490.607 2.988 10 10 JFCE CC(C)CCN1C(=O)C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 2297498086 LAMMDDVKSBNLQX-CYBMUJFWSA-N 450.607 2.838 10 10 JFCE COc1cc(C=C2SC(=S)N(N3CCOCC3)C2=O)ccc1OCC(=O)Nc1nccs1 2314489109 NXMAPZCENNLJJT-UHFFFAOYSA-N 492.604 2.618 10 10 JFCE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=O)O 2314930307 AVOZNYOVRPFLRA-NSHDSACASA-N 473.488 2.993 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864015354 PMEQBZOUVMINGU-FQEVSTJZSA-N 478.549 2.811 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864022717 QDCSDZWEFGFECX-CJNGLKHVSA-N 496.486 2.959 10 10 JFCE COCCOC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825375 VJQYQNVHLLPSPQ-UHFFFAOYSA-N 484.578 2.816 10 10 JFCE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2296330978 PQNDGUIJNFNJGV-GOSISDBHSA-N 466.881 2.662 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cnc4sc(N5CCCCCC5)nn4c3=O)CC2)cc1 20987541 CSWNBPRTJRYCMW-UHFFFAOYSA-N 468.583 2.502 10 10 JFCE Cc1cc(CCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)n1-c1ccccc1 746429905 NCWGYJNSXMISJE-UHFFFAOYSA-N 456.546 2.825 10 10 JFCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](CO)O1 1705622824 WCMCFWDWLMTDJK-XZOQPEGZSA-N 463.582 2.979 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)c(F)c3)cc2)cc1 1859007720 NMNPQULESFVORA-UHFFFAOYSA-N 475.473 2.997 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008943 VQFMGWZOENPOOG-QHCPKHFHSA-N 491.592 2.722 10 10 JFCE COCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870539201 AKHPXSATSHPXHW-UHFFFAOYSA-N 459.587 2.629 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCN(C)C)CC2)cc1 1870552850 UULVZYGKKSUSTN-UHFFFAOYSA-N 472.630 2.545 10 10 JFCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871481518 HDZDECNTWBWETN-UHFFFAOYSA-N 477.613 2.941 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053512096 RNTVAJVTYBBFMY-HNNXBMFYSA-N 457.625 2.754 10 10 JFCE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NCc2cc(Cl)cc(Br)c2O)C1 2192660374 FXOBQBAVXVOJQA-KGLIPLIRSA-N 483.812 2.930 10 10 JFCE COCC(=O)Nc1ccc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(=O)O)c2c1 33010374 XEJBRRHPYKJVLE-UHFFFAOYSA-N 450.495 2.853 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3C(=O)O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447091 CVOYKBVPDJQOQW-FGGAIWKESA-N 491.569 2.563 10 10 JFCE CN(C(=O)/C=C\c1c(Cl)nc2ccccn12)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1087620988 NFKSIEYBEDUIEK-KHPPLWFESA-N 450.886 2.557 10 10 JFCE COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(Br)c3)c3nn[nH]n3)CC2)cc1 1858156642 UXGDTDBZXZANNO-IBGZPJMESA-N 471.359 2.842 10 10 JFCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 1858590832 LEQFJWKWGOGSKJ-LDADJPATSA-N 462.574 2.549 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864021697 FRBJJOPLGSXZLP-CQSZACIVSA-N 470.448 2.569 10 10 JFCE CC(=O)NCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802525 HVOPUDSZVFAOQX-HSZRJFAPSA-N 483.524 2.654 10 10 JFCE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1 2044621450 YERHBFGFNYMYEL-UHFFFAOYSA-N 452.552 2.526 10 10 JFCE COc1cc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1OC 2323840336 OPMJHTBCLPEXOD-UHFFFAOYSA-N 494.616 2.804 10 10 JFCE CN(C)c1ccc(CNC(=O)c2cnn3c(=O)c4c(n(C)c23)CCN(Cc2ccccc2)C4)cc1 64836170 RKAGZDPHCNOLBE-UHFFFAOYSA-N 470.577 2.587 10 10 JFCE CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O 105679493 LCUDDFAELKJQGV-IEBWSBKVSA-N 467.430 2.685 10 10 JFCE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1540978131 RZPWKIKYDQYZRA-IQGLISFBSA-N 488.608 2.629 10 10 JFCE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 1565532819 BYMISFGRUKMVOU-QILBDFMCSA-N 469.925 2.514 10 10 JFCE Cc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858956990 BXPPNAAAAGTMEC-UHFFFAOYSA-N 469.519 2.750 10 10 JFCE CCN1CCC(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861964097 OHUWIZCGGCOQGC-AREMUKBSSA-N 494.636 2.509 10 10 JFCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)CC2=O)cc1 1865927204 RALQUBQCZVKOER-GBXCKJPGSA-N 489.576 2.922 10 10 JFCE CCCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873573730 ZANUPSSGIIRNJY-UHFFFAOYSA-N 466.586 2.943 10 10 JFCE CCCCN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2296716977 QDOKVPCNZULNBJ-UHFFFAOYSA-N 487.651 2.830 10 10 JFCE O=C(O)CCOc1ccccc1/C=C1\SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 210440573 FAQLJRAEJDIOGH-VBKFSLOCSA-N 464.546 2.635 10 10 JFCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 747862740 CGPXBJFJTDDLAR-UHFFFAOYSA-N 467.550 2.769 10 10 JFCE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858956363 QXSZQAWAYRXAAG-UHFFFAOYSA-N 469.519 2.614 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864009890 MVFCMLAJPCIXOC-CRJAXXSDSA-N 494.592 2.907 10 10 JFCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864015355 PMEQBZOUVMINGU-HXUWFJFHSA-N 478.549 2.811 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)N2CCCCC2)cc1 1866200220 PQRMWRNUVXVSLE-SDHOMARFSA-N 464.610 2.671 10 10 JFCE CCN(CC)CCCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873888200 LFRXYLRZYLZNNE-UHFFFAOYSA-N 480.517 2.774 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2238891341 DHRRFLQQJMEOCR-CCHLGUQTSA-N 477.558 2.659 10 10 JFCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cccc(I)c3)C2=O)cc1 2297321436 DWJFQPXWSJSDHV-UHFFFAOYSA-N 462.243 2.929 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865025539 BKHAKXKCJYNSRU-QFIPXVFZSA-N 492.532 2.698 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(OC)c(OC)c4)n(C)n3)CC2)cc1 1869969533 PIRTXSWLWVFAPJ-WUXMJOGZSA-N 478.553 2.819 10 10 JFCE CCN(C(=O)CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885101 CKGQMJGLVQGLRU-ZDUSSCGKSA-N 459.014 2.577 10 10 JFCE COc1ccc(N2CCOCC2)c(NC(=O)C=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 2313806259 ZKGSWMGOPPUXDV-UHFFFAOYSA-N 468.510 2.929 10 10 JFCE COC(=O)c1ccc(C=CC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2331337917 KAOUPARNNVSSLW-HSZRJFAPSA-N 495.601 2.745 10 10 JFCE CCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118133 QQIMFFIADYZJSY-QHCPKHFHSA-N 453.539 2.868 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012150 SJXGFVOFYOWEGO-NRFANRHFSA-N 482.512 2.637 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 1868979966 TZIKNKHFMFJEBK-NRFANRHFSA-N 494.621 2.681 10 10 JFCE Cc1c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(=O)n(C)c(=O)n1C 1891338748 YVLXZYYNKSARHV-UHFFFAOYSA-N 461.352 2.624 10 10 JFCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837484 SVAINKIMIKITDF-GFCCVEGCSA-N 451.526 2.946 10 10 JFCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccccn3)CC2)cc1 20289375 DROMAFYGSKVGSV-YADARESESA-N 493.633 2.836 10 10 JFCE COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OC)c(O)c3Br)C2=O)cc1 59402378 MSIJVLWAHSIHIU-ZROIWOOFSA-N 461.268 2.834 10 10 JFCE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858955561 YLUDOZQTFFLXRB-UHFFFAOYSA-N 455.492 2.685 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3I)CC2)cc1 1861912568 MEIMBEFHEUSCEZ-OAHLLOKOSA-N 493.345 2.767 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2040498407 JLCOUPBBRGMYNS-GASCZTMLSA-N 474.608 2.546 10 10 JFCE CCOC(=O)COc1c(Br)cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OC 2297561465 DIHGVLAPUMIMMO-UHFFFAOYSA-N 490.353 2.685 10 10 JFCE COC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 164844628 UXINXEGIBLQDNO-VHEBQXMUSA-N 470.528 2.999 10 10 JFCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254293991 OCEHVAJEUUVYQC-OAQYLSRUSA-N 451.523 2.613 10 10 JFCE COC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254560456 VMOGDGXEMPTVII-DEOSSOPVSA-N 499.596 2.864 10 10 JFCE CC(=O)N1CCC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2O)C1 1741032062 XZVGNHXTXIRYPU-FQEVSTJZSA-N 451.575 2.740 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 1861970851 CYIKPDNJADWJPO-FQEVSTJZSA-N 482.600 2.900 10 10 JFCE COc1ccc(CN2C(=O)C(=Cc3c(NCCCO)nc4ccccn4c3=O)SC2=S)cc1 2040498237 GBZCFSQVDTUNBJ-UHFFFAOYSA-N 482.587 2.899 10 10 JFCE O=C(CN1C(=O)SC(=Cc2ccc(O)c(O)c2)C1=O)Nc1ccccc1N1CCOCC1 2297535116 LDSXSPRCYLOLKS-UHFFFAOYSA-N 455.492 2.609 10 10 JFCE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1584506582 CZWDCYVLCAYRFY-IBGZPJMESA-N 451.567 2.994 10 10 JFCE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861932424 SWURSOMJSLMXJX-AREMUKBSSA-N 485.581 2.968 10 10 JFCE CCC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862040964 VKBDPQFWZMGTNP-NRFANRHFSA-N 470.526 2.859 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(C)C)CC2)cc1 1868787166 RWZXRJKMLIPFCZ-CPJSRVTESA-N 478.593 2.538 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871723117 KKCBHHSURUSHCM-UHFFFAOYSA-N 479.585 2.564 10 10 JFCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 2297345269 HGRMEJHVRMVWIX-UHFFFAOYSA-N 484.515 2.536 10 10 JFCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 33638985 TWUPHIYZQBUJMK-AMRJIULGSA-N 499.662 2.525 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1 254330863 SFMDZWXOIJXMDK-HSZRJFAPSA-N 493.633 2.686 10 10 JFCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037145 AEOYVCGVDFNCRO-SFTDATJTSA-N 453.004 2.835 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNCc2cccc(Br)c2O)C1 721724498 KUAVWBCHIOYKBR-AWEZNQCLSA-N 463.394 2.669 10 10 JFCE CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 1084402838 PLHJIOLQOBBNLA-UVTDQMKNSA-N 458.467 2.608 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)cc2)CC1 1154271152 LYOLJHSSPAWTPO-UHFFFAOYSA-N 450.583 2.947 10 10 JFCE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596225 QAKHROQELRTQAV-OPOJIDBRSA-N 466.718 2.937 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861995526 BBNCNJJEXPAOHK-GMAHTHKFSA-N 464.610 2.761 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCOCC3)nc12 2314414335 WOAYJQVXUNSEPB-UHFFFAOYSA-N 456.593 2.983 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=S)cc1 2314930982 KKRJAXLKICWKMK-UHFFFAOYSA-N 464.546 2.553 10 10 JFCE C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3c(c2o1)C(=O)c1c(O)ccc(O)c1C3=O 13890832 MAUMGBVGKFVQCP-NAVFIMFESA-N 462.410 2.797 10 10 JFCE in-vitro CC(=O)N[C@@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 1540567169 BQYKINRJKZLWDU-XMMPIXPASA-N 457.596 2.700 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1OC 1858591063 WDAUCXNBQJZUTI-SFQUDFHCSA-N 464.590 2.795 10 10 JFCE CC(=O)Nc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858612420 WJKWBWAAEWKHLK-UHFFFAOYSA-N 463.471 2.931 10 10 JFCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C(=O)O)cc3)c3ccccc32)SC1=S 1860826761 LZDBNCRBWGQFOJ-ZCXUNETKSA-N 468.512 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PLIZYJIYAAUNMC-UHFFFAOYSA-N 471.517 2.972 10 10 JFCE COC(=O)c1[nH]c2cccc(OC)c2c1NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2296560837 PTVQQSMDHBPOTG-UHFFFAOYSA-N 462.462 2.580 10 10 JFCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 2314934062 XSQULXOVCCDZBW-UHFFFAOYSA-N 473.488 2.995 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCCO4)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 8674009 BIEBOCALVCZIFZ-UHFFFAOYSA-N 469.475 2.522 10 10 JFCE COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OS(C)(=O)=O 20205600 YMWWRMDHKJWIGJ-AQINLTQESA-N 468.582 2.999 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1 743432029 FNQLRGRJFQWPJM-UHFFFAOYSA-N 494.571 2.514 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864007521 OPMAFHQGMNRZIU-OAQYLSRUSA-N 464.522 2.829 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865033450 ABEGNNBQBUDODI-INIZCTEOSA-N 488.422 2.970 10 10 JFCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531054 ZIGUNKBKGOFJEQ-UHFFFAOYSA-N 490.612 2.965 10 10 JFCE CN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2040470314 RQMTXSXLCCHJBO-UHFFFAOYSA-N 481.578 2.991 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 11796463 CODDIIOHZDRQJA-UHFFFAOYSA-N 475.655 2.870 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 11796523 DCGQAKHZCOYMON-UHFFFAOYSA-N 497.617 2.886 10 10 JFCE CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432160 HLYIOWHJFSNPMX-LJQANCHMSA-N 454.571 2.749 10 10 JFCE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c(Cl)cccc21 1565532820 BYMISFGRUKMVOU-RUFNJRMLSA-N 469.925 2.514 10 10 JFCE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)Nc3ccc(N)cc3)c[nH]c12 1866447985 BTDFGYLZMYAPGA-UHFFFAOYSA-N 452.511 2.997 10 10 JFCE CCCC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585352 BTLHRIBNPWUQCO-KKSFZXQISA-N 496.585 2.900 10 10 JFCE COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867382485 DTQZVPWHBLOZSL-DEOSSOPVSA-N 468.598 2.843 10 10 JFCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)=O)CC2)n1 1868254393 NZKMJZJFQJVFHC-UHFFFAOYSA-N 499.571 2.896 10 10 JFCE CC[C@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868803514 HQJLIHXOJAVHEG-NDEPHWFRSA-N 494.636 2.708 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871577012 FNUHDBIEDKHUON-QFIPXVFZSA-N 493.587 2.833 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)N4CCC(C)CC4)cc3)CC2)cc1 1872725130 SNDKZDXSAZARCA-UHFFFAOYSA-N 487.622 2.843 10 10 JFCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC)C(=O)O 2314931571 GZWLOQGDMCXZDX-AWEZNQCLSA-N 473.532 2.878 10 10 JFCE Cn1c(=O)c2c(-c3cccc(Br)c3)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1O)OCC3 35373220 BEZWAKWOECPVLJ-NRFANRHFSA-N 498.333 2.999 10 10 JFCE COc1cc(Cl)c(OC)c(N2C(=O)[C@@H]3[C@H]4CCCN4C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 103561776 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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccs1 1081808854 UDISLCJTMCWODQ-JOCHJYFZSA-N 495.626 2.696 10 10 JFCE COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N([C@H](C)c4ccccc4)C3=O)CC2)cc1 1860382370 OZHKWUZNSFTHEQ-GCJKJVERSA-N 450.539 2.806 10 10 JFCE CCc1nc2ccc(C(=O)N3CSC[C@@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1861891041 WRIBRQYDJLLVGQ-JOCHJYFZSA-N 479.606 2.998 10 10 JFCE CCn1cc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)ccc1=O 1861981797 LUSWHSUHURRDSY-VWLOTQADSA-N 474.561 2.697 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccn2)=C(N)O3)cc1 1864022824 RKTOBVNMKMVISG-NRFANRHFSA-N 499.527 2.913 10 10 JFCE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865027260 WZIVDCKIDANEBD-NRFANRHFSA-N 486.569 2.899 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865032402 BNWBXYNJSGUPDQ-FQEVSTJZSA-N 463.538 2.575 10 10 JFCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCOCC1 2314397374 GZYOVZJQDOGIIQ-UHFFFAOYSA-N 474.560 2.927 10 10 JFCE O=C1/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 33933447 ZHYDIPJMHPIXIQ-OBGWFSINSA-N 466.588 2.933 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 96460264 XQKYJYJWXUMQJN-FZKGXIISSA-N 458.477 2.656 10 10 JFCE CC(C)CCNC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 248049499 MZNCNBZFVNSLQX-SDHSZQHLSA-N 478.593 2.757 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 253609325 HXVNRKFMDLTFSX-KJOBADFLSA-N 483.477 2.629 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3c3ncnc4sccc34)CC2)cc1 728518047 AQMZZANPBDRRBW-OAQYLSRUSA-N 466.611 2.607 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)COc4ccc(C)cc4)C3)CC2)cc1 1858092915 HEYWQKPIBXXXMR-NRFANRHFSA-N 451.567 2.970 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008151 DOTMTZJEZWHPJG-GCJKJVERSA-N 476.533 2.890 10 10 JFCE 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467.563 2.907 10 10 JFCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953499 PFNJNXNKYHTFOP-ZACQAIPSSA-N 479.574 2.811 10 10 JFCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15048336 RXOQCKARWAVSKA-LMRAXHDRSA-N 473.370 2.725 10 10 JFCE COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)c1C 85621189 JAGLKJRYFUHZSE-LJQANCHMSA-N 482.581 2.628 10 10 JFCE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccoc4)c(=O)n32)cc1 254746289 PHEZEUIOHGHEEX-NRFANRHFSA-N 451.548 2.847 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3COc4ccc(Br)cc43)cc2)CC1 1138229000 QWGGNYPEFAGUAQ-HXUWFJFHSA-N 458.356 2.910 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 1565532588 TXDFHSXTKSUUGO-KXNBQGJDSA-N 475.545 2.620 10 10 JFCE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1705792457 UGJYVGWOAUWSIV-LJQANCHMSA-N 463.604 2.555 10 10 JFCE 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CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018675 QLHWQTXMNJNHHP-OAQYLSRUSA-N 484.516 2.647 10 10 JFCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)cc1 2297639074 YONGPPQOMNDUNM-UHFFFAOYSA-N 493.516 2.674 10 10 JFCE CN1C(=O)C(=c2sc(=C3Sc4ccccc4N3C)c(=O)n2Cc2ccccc2)SC1=S 254502126 YUTJWWPOZHYANR-UHFFFAOYSA-N 483.665 2.864 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3n[nH]c4ccc(Br)cc34)cc2)CC1 1556199902 YQMOSNPUGCZBCI-UHFFFAOYSA-N 456.344 2.924 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4cccc(Cl)c4)cc3O)cc2)CC1 1625199539 YFSMHTBCFNHEKC-UHFFFAOYSA-N 453.930 2.830 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4ccccc4F)c(C)[nH]3)CC2)cc1 1858542883 XBINMDSQUUHVEQ-UHFFFAOYSA-N 465.529 2.878 10 10 JFCE COC(=O)CCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347371 MOBMIKHJZIRRAH-VWLOTQADSA-N 460.534 2.858 10 10 JFCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc(OC)c1O 2314831971 WRYUUHXEDQSJNL-UHFFFAOYSA-N 482.580 2.762 10 10 JFCE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\N1CCN(C(=O)c2ccco2)CC1 627746 FLQNQVYNAWICNW-QBFSEMIESA-N 479.345 2.676 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)cc2C[C@H]1C 9118153 QEXUWVZICVRTFF-GOSISDBHSA-N 498.649 2.767 10 10 JFCE CCCN1C(=O)/C(=C/Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C(=O)NC1=S 9439646 ZSAJIJTXRFYVOJ-JQIJEIRASA-N 464.613 2.589 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O 16915183 XNEAZURJBCMUQQ-LZYBPNLTSA-N 489.487 2.613 10 10 JFCE COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c(O)c1 19848452 DSXDMYNUDKFAFR-UGCAPWQASA-N 452.507 2.716 10 10 JFCE CN(C)c1ccc(CNC(=O)C2CCN(c3nn4c(=O)c5c(nc4s3)CCCC5)CC2)cc1 21664230 LNZVANNLSDQYLG-UHFFFAOYSA-N 466.611 2.629 10 10 JFCE CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1OC 742926884 DQNURGJMPVXFDU-UHFFFAOYSA-N 458.515 2.563 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1690854284 ZTQBICFPTPIDPP-QGZVFWFLSA-N 451.550 2.574 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749776587 FCUTZAKVVHXQPR-IBGZPJMESA-N 458.582 2.873 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865026573 PVQFLSQNLUDHAT-QFIPXVFZSA-N 478.549 2.728 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865030998 WRDYKPYOAGUJGZ-FQEVSTJZSA-N 498.580 2.717 10 10 JFCE COCCc1nc(N2CCC(c3ncncn3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869116048 XIKWHSSZWCMKKI-UHFFFAOYSA-N 490.612 2.570 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3Cc3ccccc3C)CC2)cc1 1870368874 WSVKJUUEPOCDHP-UHFFFAOYSA-N 463.578 2.907 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CC1 1309400777 JGXUUHTWLLJPPI-UHFFFAOYSA-N 459.465 2.992 10 10 JFCE CCOc1cccc(CNCCC(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)c1O 1860711508 ZEXLRDIBUYSDNO-UHFFFAOYSA-N 456.587 2.981 10 10 JFCE CC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868793651 QYLSVKUYAZHJFN-DCFHFQCYSA-N 478.593 2.682 10 10 JFCE CN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2040498470 KSUXJKFBBLHTQC-UHFFFAOYSA-N 463.588 2.852 10 10 JFCE C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 2200965595 WZXGGFQKJICSPT-PBHICJAKSA-N 479.574 2.905 10 10 JFCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 2294229370 NMTZIKPFVVLUNL-UHFFFAOYSA-N 478.280 2.903 10 10 JFCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 16906494 SRFDLHSOMYAZAN-OQLLNIDSSA-N 459.461 2.604 10 10 JFCE CN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc21 33248617 NJGRBXSKADIOGC-NTCAYCPXSA-N 487.297 2.901 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCSc3ccc4c(c3)OCCO4)cc2)CC1 1138229228 YUEFQXDDCQPQCE-UHFFFAOYSA-N 455.580 2.925 10 10 JFCE CC[C@@](C)(NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862045007 MGZGRCXJUQQSIH-XMMPIXPASA-N 470.526 2.859 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011964 NWEUIVVFJYAXNC-FQEVSTJZSA-N 484.940 2.762 10 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CCOC(=O)Oc1ccc(C(=O)NCC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 216543310 NFKLFIVCWZNVNE-UHFFFAOYSA-N 458.467 2.621 10 10 JFCE Cc1cc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccccc1 748980605 OONWSABKHLFOHI-UHFFFAOYSA-N 461.609 2.865 10 10 JFCE CCCN1C(=O)/C(=C/c2cc(I)c(OCC)c(OC)c2)C(=O)N(C)C1=O 1081105034 JSHKFILEEBBPQB-XYOKQWHBSA-N 472.279 2.913 10 10 JFCE COc1ccc(N2CCN(C(=O)CCCNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1860356316 UZZNOSLWONQNGE-UHFFFAOYSA-N 451.976 2.756 10 10 JFCE CC[C@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861932425 SWURSOMJSLMXJX-SANMLTNESA-N 485.581 2.968 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864006942 BCJNHWIIWYCBPN-IBGZPJMESA-N 470.913 2.703 10 10 JFCE CCC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585853 DRABYNXWUNPGOQ-QRWLVFNGSA-N 482.558 2.510 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871716915 SQCKZOUDBWTVGY-UHFFFAOYSA-N 484.564 2.507 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cnc(C)cn3)CC2)cc1 1874642935 QOPNLFBVOYSGFD-VWLOTQADSA-N 498.587 2.965 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037144 AEOYVCGVDFNCRO-LEWJYISDSA-N 453.004 2.835 10 10 JFCE CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 504708127 GYANDCQRFGDFAY-DGDMHLOUSA-N 469.925 2.513 10 10 JFCE COCCN(CCOC)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347200 BNYVTOCVWGMLKU-AREMUKBSSA-N 476.577 2.910 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864022845 YWFOXWZBCMBDIH-OAQYLSRUSA-N 483.613 2.954 10 10 JFCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(C)n3)CC2)cc1 1869283955 XBUCGMGGQGOCGC-NRFANRHFSA-N 477.569 2.833 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651151 ROKUQVUPZWJXOP-UHFFFAOYSA-N 477.613 2.677 10 10 JFCE CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873589024 ZOKGWILWDMCBLB-UHFFFAOYSA-N 452.559 2.553 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2287556409 JSTDSEPRBXZMLV-ZACQAIPSSA-N 479.574 2.953 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCC(=O)O 2314932922 PXMIFUFICNRXTK-UHFFFAOYSA-N 458.517 2.634 10 10 JFCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1 2323840718 OKKOEPQVMSXMHO-UHFFFAOYSA-N 455.564 2.748 10 10 JFCE CCCCCCn1c(O)nc2nc3cc(N/C=C4/C(=O)N(C)C(=O)N=C4O)c(C)cc3nc2c1=O 20151874 KYYTVPXOFOJZNQ-ACCUITESSA-N 479.497 2.778 10 10 JFCE CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 35575680 SBMARGOWUUDTQW-YPKPFQOOSA-N 469.338 2.778 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(C)ccc4Cl)C3)CC2)cc1 1615106748 SFNQTFGOAREUOG-AZGAKELHSA-N 491.028 2.865 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865026426 NQMZZALNEHUBDS-QFIPXVFZSA-N 475.549 2.666 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865535898 RJQKGCVDGOAGOV-JOCHJYFZSA-N 489.576 2.740 10 10 JFCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OC 2314768289 KHLLBLHGGIYYBG-UHFFFAOYSA-N 452.554 2.618 10 10 JFCE Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33511166 MGTBGCVHYXVFKI-GZTJUZNOSA-N 452.561 2.809 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 210453191 YEJLKRNZNBUKBW-SXGWCWSVSA-N 462.480 2.844 10 10 JFCE CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 229938477 MZSQOHGDIIORRB-KHPPLWFESA-N 453.455 2.667 10 10 JFCE CCC[C@@H](NC(=O)c1cccn(CCC)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862016776 HZTWWWAELJSAPP-JOCHJYFZSA-N 454.571 2.514 10 10 JFCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2 1864009108 ZKTMZOJMPJIQEY-HSZRJFAPSA-N 489.576 2.615 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864009426 HBFFFTBGRGLZRO-QUCCMNQESA-N 484.940 2.820 10 10 JFCE CCc1nn(C)c2c1[C@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865051899 OIMKXBWCTMCLEK-QFIPXVFZSA-N 489.576 2.740 10 10 JFCE CCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870540265 SYOUQBVKLVYHAU-UHFFFAOYSA-N 494.592 2.877 10 10 JFCE CCCCOC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870762914 ZIIJWCBXJBUBBS-UHFFFAOYSA-N 487.597 2.548 10 10 JFCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc(S(N)(=O)=O)cc1 2313681630 JORRCTWYFYEXSC-UHFFFAOYSA-N 457.512 2.809 10 10 JFCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C)cc1 96459983 NCOMTJWGFKLXFA-HTYYESGYSA-N 498.542 2.844 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)C)CC2)cc1 1862299162 BJTOVZOFHFUVJF-DEOSSOPVSA-N 467.566 2.653 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869059260 VJOMFEUUZAOMKM-QFIPXVFZSA-N 479.968 2.829 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2053511837 LFYYSNOYQFJEKU-HNNXBMFYSA-N 457.625 2.754 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2200972371 RZCSDHWXCMYNHD-BVFVYWQFSA-N 467.566 2.924 10 10 JFCE O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(O)c(I)c1 2297353194 SUAXUWZSJNVMLB-UHFFFAOYSA-N 452.179 2.802 10 10 JFCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 2314717311 AFIBZTZCTFHGHB-UHFFFAOYSA-N 467.528 2.513 10 10 JFCE O=C1/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33923104 HXKUCCGZNCBCRD-SAPNQHFASA-N 474.608 2.649 10 10 JFCE CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)[C@H](C)C1 1749868355 WPRDJIFMHGZRQA-MRXNPFEDSA-N 457.629 2.960 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864012509 BTKINASGSVSIOQ-HXUWFJFHSA-N 474.521 2.671 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864022972 SVKRSHIJOVDJJA-AWEZNQCLSA-N 464.400 2.937 10 10 JFCE O=C(CCCC(=O)c1cccs1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796031 SAQJAUYOZGZXIA-LJQANCHMSA-N 490.537 2.992 10 10 JFCE CC(C)(C)OC(=O)NC/C=C\CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2268443823 HWHJIHXWJSASCL-PTZVLDCSSA-N 465.547 2.731 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2287556407 JSTDSEPRBXZMLV-IKGGRYGDSA-N 479.574 2.953 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)cc1 2297312808 VZUJYIXHHPBWKR-UHFFFAOYSA-N 479.514 2.850 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCC(=O)Nc3ccc(Br)cc3)CC2)cc1 742928014 GSAPWVYPTYBVJI-UHFFFAOYSA-N 490.402 2.518 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028454 VGSLDAJBIRIMRC-NRFANRHFSA-N 495.967 2.714 10 10 JFCE O=C(CNC(=O)c1cc(-c2ccncc2)[nH]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868158222 RCTHSUSNJOVGOX-UHFFFAOYSA-N 451.442 2.616 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871548910 AFGXGXWVYQFNAU-UHFFFAOYSA-N 491.640 2.986 10 10 JFCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 2294638500 YBNPVPVSHGRHIF-UHFFFAOYSA-N 456.502 2.926 10 10 JFCE O=C(CN1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O)Nc1ccccc1N1CCOCC1 20290123 LDSXSPRCYLOLKS-UNOMPAQXSA-N 455.492 2.609 10 10 JFCE O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cc2)CCN1 229168801 RAJHRYOQMHZKDG-XWGVYQGASA-N 460.578 2.713 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865030318 HUGTURCQGKCVEQ-NRFANRHFSA-N 483.613 2.904 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866239017 BMVWKCDSMZGOSM-LEWJYISDSA-N 475.634 2.555 10 10 JFCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C)C3=O)c3ccccc32)c(OC)c1 2296710722 UMDZVACGCNYEQV-UHFFFAOYSA-N 469.544 2.890 10 10 JFCE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 2233753 GWJAOQAKPSEVCV-CNSVBDKNSA-N 460.490 2.625 10 10 JFCE CN1CCc2cc(CNC3CCN(c4ccc(C(=O)N[C@H]5CCCCNC5=O)cc4)CC3)ccc21 12152653 QYTLRFMACXKZDN-VWLOTQADSA-N 475.637 2.836 10 10 JFCE CN(C)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](C)no3)N(c3ccccc3)C2=O)cc1 104842751 XDOSLVGHPJNTOU-CPNJWEJPSA-O 463.543 2.681 10 10 JFCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1508233756 RQSUVESCPNXGLY-QFBILLFUSA-N 463.677 2.604 10 10 JFCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c1 1858073830 LNUBHQGHBBPNSX-UHFFFAOYSA-N 487.515 2.757 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864014657 ZPJIQTSPCQUWHH-HXUWFJFHSA-N 471.602 2.809 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 1868978540 IQLPSNMRJLEPOW-NRFANRHFSA-N 494.621 2.681 10 10 JFCE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)s1 2040376608 BGTAAGMXQXGELF-UHFFFAOYSA-N 450.567 2.958 10 10 JFCE COc1ccc(Cl)cc1-n1cccc1C=C1C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 2297346902 YASYEBGBYWHZJM-UHFFFAOYSA-N 463.928 2.761 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 2297352632 HSMPQLRNVVPRCW-UHFFFAOYSA-N 491.529 2.823 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(C(=O)O)cc3)c3ccccc32)SC1=S 2326944749 LZDBNCRBWGQFOJ-UHFFFAOYSA-N 468.512 2.978 10 10 JFCE CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1722769010 FAAMPTONHWMVOD-AREMUKBSSA-N 484.645 2.800 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3F)cc2)cc1 1859006918 IGRYYIOTCHPPDF-UHFFFAOYSA-N 475.473 2.997 10 10 JFCE CCOc1cccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 1860718307 LBKKWGORPGSAEU-UHFFFAOYSA-N 462.553 2.777 10 10 JFCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CC)CCO)[C@H]2c1ccc(O)c(O)c1 1865031244 CGSQZOIKJRYCAH-FQEVSTJZSA-N 478.549 2.907 10 10 JFCE CCCCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552876 XTGMZRHMBLGQBD-UHFFFAOYSA-N 491.640 2.954 10 10 JFCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2C1=O 1873744610 IMBCEKHIWPDGGN-OAQYLSRUSA-N 465.506 2.871 10 10 JFCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1 2053496733 IXLYEJLOGNYZGN-UHFFFAOYSA-N 471.560 2.589 10 10 JFCE O=C(O)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296711403 WYRWIZUSWGLKCX-UHFFFAOYSA-N 487.946 2.981 10 10 JFCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)N(C)C)cc1 12023770 KYXYNFNQNPPJET-HXUWFJFHSA-N 479.002 2.505 10 10 JFCE CCn1c(=O)c(N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)nc2ccccc21 22592849 SUAGWWUOKNWTAX-FQEVSTJZSA-N 475.593 2.990 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1301768179 SYVKXZLKZYZQBP-NTKDMRAZSA-N 485.652 2.719 10 10 JFCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1869130338 OHSYWVMVBBMICU-NHCUHLMSSA-N 468.646 2.920 10 10 JFCE COc1ccc(CCN2C(=O)C(=Cc3c(NCCO)nc4c(C)cccn4c3=O)SC2=S)cc1 2053498029 GEIXPUBJSSHQSK-UHFFFAOYSA-N 496.614 2.860 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(NS(=O)(=O)c4ccc(F)cc4)ccn3)CC2)cc1 8590412 DAWWQLZOOZGNSK-UHFFFAOYSA-N 470.526 2.993 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 39729179 UVHJGHUJBIMFAH-QGOAFFKASA-N 488.635 2.958 10 10 JFCE O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 97998379 BTYVKQGDOJWIOI-PGXPTPECSA-N 493.566 2.916 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)cc2C)C1 1741020607 FXPSVBJXQHPGKD-QFIPXVFZSA-N 461.614 2.991 10 10 JFCE CCOC(=O)C1=CC(c2ccccc2)=S=C1NC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 1860741786 ZPLRHTGEUHLMGG-UHFFFAOYSA-N 466.515 2.505 10 10 JFCE CCc1sc(NC(=O)C(=O)NC[C@@H](C)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763979 UVSILFVSKBGMHU-SNVBAGLBSA-N 469.357 2.962 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861955684 KYEOBZXIHYOSOO-YHEXHBFFSA-N 482.562 2.867 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864022140 UMYCWIASHNWLCT-FQEVSTJZSA-N 471.602 2.665 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027309 GKOIXEJQZNPAOE-OAQYLSRUSA-N 462.506 2.918 10 10 JFCE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1c(CC(=O)OC)nn(-c2ccccc2)c1O 2295043566 LIMOJMLWLLJPII-UHFFFAOYSA-N 474.473 2.643 10 10 JFCE CC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328579764 JDCDATQPHNJJCE-JOCHJYFZSA-N 452.511 2.860 10 10 JFCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCC(=O)O 16916091 SVOAXWJVJBVDFD-CXUHLZMHSA-N 462.505 2.996 10 10 JFCE CN(C)c1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 33292303 SDDHYMIZKKOHTC-UHFFFAOYSA-N 455.540 2.517 10 10 JFCE COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)ccc1OCC(=O)Nc1nccs1 35520065 NXMAPZCENNLJJT-WJDWOHSUSA-N 492.604 2.618 10 10 JFCE COc1cc(OC)c(-n2cccc2/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 96462711 UYRFAXPQHBYIAN-LPVLJJHXSA-N 493.954 2.769 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1 210410055 XBWJAHJEWLUCFK-YBEGLDIGSA-N 464.546 2.553 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 727375388 BJBJCIOUGVIWLR-UHFFFAOYSA-N 493.652 2.897 10 10 JFCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 1860320808 WBDQCGGQRLBTGK-IBGZPJMESA-N 451.523 2.574 10 10 JFCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007852 WGJATBRBSCMBKA-JOCHJYFZSA-N 494.548 2.574 10 10 JFCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019659 OJZNZKYKUAXMIU-ZHRRBRCNSA-N 492.576 2.713 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865037373 OKMOMAQGDWVBOB-OAQYLSRUSA-N 483.613 2.760 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1 1869037713 WFZIILWGBRQZMP-UHFFFAOYSA-N 451.527 2.546 10 10 JFCE CCOc1ccc(Nc2nc(=NCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871529742 JSUGRGNZJPWADO-UHFFFAOYSA-N 479.585 2.565 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=CNC[C@H](CC(=O)O)c3ccc(Cl)cc3)C2=O)cc1 2296563357 KQAFIZYGCJYPDC-AWEZNQCLSA-N 457.870 2.663 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857989 IIWYHYGNSMKOLA-UHFFFAOYSA-N 484.559 2.793 10 10 JFCE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(N4CCOCC4)=NC3=O)c3ccccc32)c1 35189654 SHEROERXDJVBDB-QURGRASLSA-N 476.558 2.961 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccc(OC)c(OC)c4)ncn3)CC2)cc1 1858248409 MNTQGLMFRPNFIK-UHFFFAOYSA-N 463.538 2.759 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)cc1 1861880592 KRVZIRMOZVYBMD-QGZVFWFLSA-N 465.529 2.702 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864019239 WYUYUPLXNLTHJQ-HXUWFJFHSA-N 471.602 2.809 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028408 UKASICSZSHPWMP-AUSIDOKSSA-N 490.560 2.637 10 10 JFCE COC(=O)c1ccccc1N1C[C@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865923499 SWLWJOGAGBOQHG-WZONZLPQSA-N 475.549 2.531 10 10 JFCE CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571205 BWZVFPJZQBXBJN-UHFFFAOYSA-N 488.596 2.803 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccnc3Oc3ccccc3)CC2)cc1 743431951 AGIGBXJAJYYNQK-UHFFFAOYSA-N 475.549 2.759 10 10 JFCE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705876432 XTRGLTJSCPXRHK-JOCHJYFZSA-N 485.654 2.616 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1722749846 KFEHIKFCWAPXSH-UHFFFAOYSA-N 465.577 2.964 10 10 JFCE O=C(CNC(=O)c1cccc(N2CCCC2=O)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868130549 PKWXIHHYWYXOOE-UHFFFAOYSA-N 467.481 2.957 10 10 JFCE Cc1ccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2352931667 BRIWUPDPEYPQPR-UHFFFAOYSA-N 481.368 2.959 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(Cl)cc3)CC2)cc1 11796495 UGHLNXYGXZUDSH-UHFFFAOYSA-N 451.976 2.621 10 10 JFCE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(/C=C2\SC(=S)N(CCN)C2=O)cc1 12659842 OYLZSTVQJTVOTQ-YBEGLDIGSA-N 479.561 2.831 10 10 JFCE Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccccc1O 59263945 FSBODMPFWHYMCW-UHFFFAOYSA-N 471.498 2.871 10 10 JFCE CCOCCCN1C(=O)/C(=C\c2c(NCCCOC)nc3ccccn3c2=O)SC1=S 102824288 FXZBNAREHVHHKW-JQIJEIRASA-N 462.597 2.771 10 10 JFCE C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106306669 MSUALPBSETYHQP-CYBMUJFWSA-N 450.308 2.608 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861933149 AXAOUDXZLPCXQW-HXUWFJFHSA-N 471.579 2.576 10 10 JFCE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865033565 CSKZCGBLIGHGGZ-CQSZACIVSA-N 452.433 2.803 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865034204 RKBCGXLRMIBURO-BLLLJJGKSA-N 496.486 2.649 10 10 JFCE Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)NN(c2ccc(I)cc2)C1=O 2297505960 HVBMKUXEDFUYIH-UHFFFAOYSA-N 486.269 2.952 10 10 JFCE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1 35962871 DPLZXVWQMUSKGP-QHCPKHFHSA-N 486.016 2.927 10 10 JFCE CC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1741036051 PTWPSRGVUDRIIM-UHFFFAOYSA-N 451.550 2.576 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3c(OC)cccc3OC)CC2)cc1 1862124434 RQYHTLZTYIHTPV-LJQANCHMSA-N 471.579 2.576 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCOc3ccccc3)CC2)cc1 1862267917 XZTJOXOASNEIGV-JOCHJYFZSA-N 455.580 2.714 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017672 RIZGLRLJGJTHNJ-IBGZPJMESA-N 484.940 2.693 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865025650 BEMCWVPCCCAUGI-SPLOXXLWSA-N 461.522 2.940 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865035693 ZISKZSNMIMYIAW-OXJNMPFZSA-N 470.570 2.725 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3coc(C)n3)CC2)cc1 1869020655 WVYVKMLYVFQVBB-DEOSSOPVSA-N 480.540 2.750 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871483702 RGUAPRLPTBQBGU-UHFFFAOYSA-N 477.613 2.677 10 10 JFCE COc1cc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(Br)c1O 2053497391 IBQCSZKQOZKAGC-VIFPVBQESA-N 464.384 2.552 10 10 JFCE CCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 2297510251 WVJVAFJSEDVTND-UHFFFAOYSA-N 453.520 2.879 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O 2314932419 VWGTWGDNFIXXNE-UHFFFAOYSA-N 484.964 2.898 10 10 JFCE CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 8602731 GJOZAMAWCSKXGM-IBGZPJMESA-N 490.626 2.591 10 10 JFCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15038613 FNQGXJCCARFMPE-LCYFTJDESA-N 473.370 2.727 10 10 JFCE CCc1cc2c(=O)n(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cnc2s1 252002451 MWVGRTBAQDWTQI-UHFFFAOYSA-N 470.576 2.958 10 10 JFCE COc1ccc(-c2c(C)oc3c(CN4C[C@@H](O)C[C@H]4C(=O)O)c(O)ccc3c2=O)cc1OC 1615247559 DZRVZMASGOPJQI-YOEHRIQHSA-N 455.463 2.511 10 10 JFCE O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccc(O)c(O)c1 1860166418 ANHPAOOAQZKUIX-DEOSSOPVSA-N 457.486 2.962 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009427 HBFFFTBGRGLZRO-UYAOXDASSA-N 484.940 2.820 10 10 JFCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865027758 KPKYCFWOAWLFFG-NRFANRHFSA-N 495.967 2.714 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871513661 FDMLYALFBUSWLW-QGZVFWFLSA-N 484.004 2.549 10 10 JFCE CCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873556833 FBKZFPGXXPFDQO-UHFFFAOYSA-N 466.586 2.895 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 10069881 IMEXHQBUDUGCHY-UHFFFAOYSA-N 472.394 2.884 10 10 JFCE O=C1/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 12779363 YMJSJYZRSPBJMO-NIRMRBTQSA-N 472.592 2.666 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)c3cccnc3)CC2)cc1 56896128 JEJDKGKWEDWUHY-RUZDIDTESA-N 491.567 2.525 10 10 JFCE CCOC(=O)C1CCN(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 96234489 FSJSUQLXYIMYSJ-XNTDXEJSSA-N 456.351 2.900 10 10 JFCE COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(OC)cc3)C[C@@H]12 169681789 CKVLEFJDSKMWKD-GMAHTHKFSA-N 454.527 2.624 10 10 JFCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2CC(=O)NCc2ccccc2)cc1 248039629 KJDPULORBIFBHR-ZONZVBGPSA-N 498.583 2.911 10 10 JFCE CCCC[C@H](NC(=O)c1ccc(=O)n(CC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861981782 LPCWXWUXTDDYLR-QFIPXVFZSA-N 454.571 2.514 10 10 JFCE C[C@@H](CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136243549 GLWTVCOYXXXOPR-HOCLYGCPSA-N 467.563 2.953 10 10 JFCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2294095066 HDESQNAREBKWLU-UHFFFAOYSA-N 463.215 2.718 10 10 JFCE COC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314755163 WMJWHVGAIJISMX-UHFFFAOYSA-N 492.619 2.859 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc4ccccc4o3)CC2)cc1 11796557 XWNHFTVLLRSIEN-UHFFFAOYSA-N 457.552 2.713 10 10 JFCE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33467379 KXUFKLHMLBCJSG-WOJGMQOQSA-N 459.641 2.657 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C 35964010 RFUCXXWAHQSOPO-JOCHJYFZSA-N 485.585 2.786 10 10 JFCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152427 FCORSENVRYVVST-QJMZJAKPSA-N 451.526 2.946 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 743432034 FQUDISPPPRFDPR-UHFFFAOYSA-N 480.565 2.614 10 10 JFCE CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1596123808 XTPQVXFOWGUMJQ-UHFFFAOYSA-N 451.550 2.576 10 10 JFCE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1705881076 ACRSQHBBWIWOCK-RUZDIDTESA-N 499.637 2.541 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008220 GESRJSYPVSRJFZ-JOCHJYFZSA-N 478.549 2.874 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864021613 QOCBNAVYNZUUDF-VFNWGFHPSA-N 492.532 2.527 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864022141 UMYCWIASHNWLCT-HXUWFJFHSA-N 471.602 2.665 10 10 JFCE COc1ccc(CCOc2cn(CCO)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870608207 XBSYOTHICWEVKQ-UHFFFAOYSA-N 493.604 2.802 10 10 JFCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(I)c1O 2042445850 BNEYQUNMBRMYFK-UHFFFAOYSA-N 465.290 2.681 10 10 JFCE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296848600 JLZHTDDCYDADCR-UHFFFAOYSA-N 469.500 2.781 10 10 JFCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O 248250921 SFNFKWPZRFMOFG-USTRSKKPSA-N 452.507 2.511 10 10 JFCE O=C(CS(=O)(=O)c1cccc(Cl)c1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868141277 FVWHLEPTTZYLSC-UHFFFAOYSA-N 496.928 2.644 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cn(CCc4ccc(OC)c(OC)c4)c(=O)cc3O)CC2)cc1 1870119717 CQMKHXBJWFGNQL-UHFFFAOYSA-N 493.560 2.785 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871544090 IICUSGKCCXEVES-UHFFFAOYSA-N 486.555 2.940 10 10 JFCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180013 VTIBKYSZVONKOA-HNNXBMFYSA-N 463.515 2.887 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCCO)ncnc4n3C)CC2)cc1 1875198823 MULCRUDLTUZRHP-UHFFFAOYSA-N 466.586 2.904 10 10 JFCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053512097 RNTVAJVTYBBFMY-OAHLLOKOSA-N 457.625 2.754 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccc(N(C)C)cc3)C(C)C)cc2C[C@@H]1C 9118222 OIHMXOIIDNFQEI-XDHUDOTRSA-N 486.638 2.669 10 10 JFCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2cccc(Br)c2O)C1 721724509 KUAVWBCHIOYKBR-CQSZACIVSA-N 463.394 2.669 10 10 JFCE CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)n[nH]c1C 727243175 UKWKUAACOVDGBM-UHFFFAOYSA-N 452.514 2.836 10 10 JFCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728724140 FZOYCODHKMFHFG-UHFFFAOYSA-N 488.541 2.836 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1749797856 VVZDROZHTJOYCP-IBGZPJMESA-N 453.566 2.842 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864010576 OAFICDLISHOHKT-FQEVSTJZSA-N 466.513 2.976 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865400823 VQADYOFZNNJAFO-QFIPXVFZSA-N 488.592 2.912 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)N2CCCCC2)cc1 1866200219 PQRMWRNUVXVSLE-GVAUOCQISA-N 464.610 2.671 10 10 JFCE O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 2294093843 WMFJPZJPUAAIEP-UHFFFAOYSA-N 479.228 2.852 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3nc(Cc4cccnc4)c4ccccc4c3=O)CC2)cc1 8604346 FQZUQECZIIJUGG-UHFFFAOYSA-N 469.545 2.740 10 10 JFCE CCCN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988006 FAXKJTSZMMIVJL-JQIJEIRASA-N 472.592 2.649 10 10 JFCE CCOC(=O)c1c[nH]c(-c2ccc(OC)cc2)nc1=Nc1cc(S(=O)(=O)CC)ccc1O 1859833010 XIHQNFWFTQRIIR-UHFFFAOYSA-N 457.508 2.994 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861940501 CIZLWXCTTKGJNY-JOCHJYFZSA-N 499.633 2.895 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865418548 WDXSATMEBXEJJR-JOCHJYFZSA-N 488.592 2.912 10 10 JFCE CCC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865850268 OCBPDBMLPHAGPV-HXUWFJFHSA-N 451.523 2.817 10 10 JFCE CCN(CC)CCCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870360724 XRXATEVCRBVOOO-UHFFFAOYSA-N 486.657 2.672 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3CCO)CC2)cc1 1870610671 NYSOLDFNDDAYOC-UHFFFAOYSA-N 479.577 2.759 10 10 JFCE COc1cc(/C=C2/SC(NS(=O)(=O)c3ccc(C)cc3)=NC2=O)c([N+](=O)[O-])cc1OC 33395732 KSEVUTUFUICEMN-RQZCQDPDSA-N 463.493 2.869 10 10 JFCE COc1ccc(N2CCC(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 110360670 AWMSPAOYWWVNIW-UHFFFAOYSA-N 457.596 2.881 10 10 JFCE O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCCc1ccc(O)c(O)c1 1860358923 MLAXSDQZWGXITK-UHFFFAOYSA-N 467.956 2.910 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1 1861935426 ITWBAPFKKSJNRY-NCZOVAKNSA-N 497.617 2.976 10 10 JFCE CCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868776877 VRCZGEOKQZUYRI-JOCHJYFZSA-N 488.535 2.936 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868815464 CPIJAOZAPOKTLH-DVECYGJZSA-N 468.573 2.652 10 10 JFCE CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@@H]2O)cc1 207194042 NNFWKNVHZIWGPS-ACFIUOAZSA-N 451.611 2.650 10 10 JFCE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)CC1 1741041024 HJQVWHQAPVLDOH-OAQYLSRUSA-N 480.660 2.626 10 10 JFCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864008937 VKVWZWFAJCJNHE-LJQANCHMSA-N 454.914 2.847 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865032403 BNWBXYNJSGUPDQ-HXUWFJFHSA-N 463.538 2.575 10 10 JFCE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866832638 JJVHDMJOHIXTKV-QRQCRPRQSA-N 474.488 2.896 10 10 JFCE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866862529 HJNZWHCRGKIBTD-SJORKVTESA-N 481.508 2.958 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1 1868674152 AEUOCKBOIFPCNC-BJKOFHAPSA-N 484.666 2.885 10 10 JFCE O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180717 MNLAXQPDVOCKRL-NRFANRHFSA-N 467.481 2.954 10 10 JFCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 2297462144 GQJCCNVURBPMOO-UHFFFAOYSA-N 456.476 2.848 10 10 JFCE COc1ccc(CN2C(=O)/C(=C\c3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 2372739 YMEFXPZTQNXJMY-WOJGMQOQSA-N 482.587 2.817 10 10 JFCE COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)cc1 9528772 GKXQMZHFCDCLEC-VWLOTQADSA-N 477.609 2.948 10 10 JFCE CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc21 33129770 LJQKZUSSKOXBMK-UHFFFAOYSA-N 457.552 2.936 10 10 JFCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40313882 AEOYVCGVDFNCRO-NHCUHLMSSA-N 453.004 2.835 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4cnn(Cc5ccccc5)c(=O)c4)C3)CC2)cc1 65314206 VIEHYJSWYAXTPM-QHCPKHFHSA-N 487.604 2.865 10 10 JFCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCSCc1nc[nH]c1C 205945885 JZVOXGSVUNBFSG-XSFVSMFZSA-N 472.527 2.689 10 10 JFCE Cc1[nH]oc(=NS(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)c1C 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CC(=O)N1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2O)CC1 1359366697 QRFAQWKEWOJRFT-UHFFFAOYSA-N 451.575 2.740 10 10 JFCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013215 SXPYARGVEJHQGQ-HXUWFJFHSA-N 498.967 2.752 10 10 JFCE COc1ccc(Br)cc1C=C1C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 2297349394 ROSROZBRULJHRM-UHFFFAOYSA-N 450.314 2.911 10 10 JFCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857945 IJNRVYVTBLMHRS-UHFFFAOYSA-N 459.505 2.973 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S 15047597 WFUDVUAJPBISQG-ADVUTCEVSA-N 453.592 2.624 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 726244196 BENFICBSUZUXET-NRFANRHFSA-N 467.614 2.714 10 10 JFCE CC(=O)N1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1705979259 IPWRESBXUGNORG-UHFFFAOYSA-N 458.582 2.559 10 10 JFCE C=Cc1ccccc1OCC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267136 YHYZWPYHAXKTQG-OAQYLSRUSA-N 470.481 2.600 10 10 JFCE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136263721 FGUAJHXODVDFKC-HOTGVXAUSA-N 465.547 2.659 10 10 JFCE COc1cccc(C=C2SC(=S)N(CCNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C2=O)c1 2320656288 FCAPLZRXAVMUCU-AWEZNQCLSA-N 495.582 2.697 10 10 JFCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 15048022 QZJXKENZBXUNAR-COOUDCDJSA-N 452.554 2.752 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 44441522 GWETYWCRTUAGRM-UHFFFAOYSA-N 486.516 2.988 10 10 JFCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1 102508416 GAATXZMDLJNYBM-WYNJNVBPSA-N 491.588 2.677 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1760586546 MMCJQWXHMDWJKS-NRFANRHFSA-N 482.608 2.698 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008758 RHTHQUIYVBJUET-NRFANRHFSA-N 464.522 2.748 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864017368 KMRPTQAAQONCPG-JOCHJYFZSA-N 491.592 2.999 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866860920 UZWXVRFIGVENBP-FQEVSTJZSA-N 494.507 2.717 10 10 JFCE CCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868609665 MDCDQDGQTYPGGF-JOCHJYFZSA-N 467.566 2.643 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868686845 AIRPHOQEAUVNSN-QHCPKHFHSA-N 479.577 2.815 10 10 JFCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O)C(=O)O 2314932415 VUPRMDMHLNCEBF-NSHDSACASA-N 473.488 2.993 10 10 JFCE COCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(OC)cc3O)CC2)C1=O 11880302 BBCDKAHWOCBPNH-AREMUKBSSA-N 485.556 2.932 10 10 JFCE CC(C)CCN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 102616875 LAMMDDVKSBNLQX-CMTMBAJVSA-N 450.607 2.838 10 10 JFCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256039512 ZWUHJMBPGRZUDD-XZOQPEGZSA-N 476.639 2.970 10 10 JFCE O=C(C=c1sc(=Cc2ccc(N3CCOCC3)c(F)c2)c(=O)n1Cc1ccccc1)C1CC1 727464667 MUKOEYWZZPYGHI-UHFFFAOYSA-N 464.562 2.522 10 10 JFCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731407664 YKJMWUNBUBOBQE-OAQYLSRUSA-N 473.595 2.693 10 10 JFCE CCOc1cccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1O 1860718267 ILINMNCDZRKSKL-UHFFFAOYSA-N 456.524 2.715 10 10 JFCE COc1ccc(Nc2nc(=NCCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561803 SNIXBKQICRISOW-UHFFFAOYSA-N 492.628 2.745 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2357906735 CQELYDDQGNWZBQ-RCJHGTSTSA-N 477.558 2.515 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(NCCCOC(C)C)nc12 2251302 KODKIUHBKPPWKN-XNTDXEJSSA-N 476.580 2.516 10 10 JFCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc21 11857881 JCPKMWUGZRRETP-UHFFFAOYSA-N 472.504 2.791 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(F)c(F)c3)cc2)cc1 1858957735 NUIQRKKMHMGSSM-UHFFFAOYSA-N 461.446 2.954 10 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XSPVMERPIKNGEL-AQTBWJFISA-N 478.592 2.851 10 10 JFCE CC(=O)N[C@](C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(S(C)(=O)=O)cc1 1641997652 UFNAJYZYFKTSNI-IBGZPJMESA-N 459.351 2.770 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861957653 NCBOOUNPDKLHLC-NOUTYMABSA-N 482.562 2.867 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862152826 IYMXDWGFPNTLCP-LHOVZLELSA-N 495.601 2.730 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864007365 LHSSYSRHVDCSOB-HXUWFJFHSA-N 483.956 2.618 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCCN(C)C)CC2)cc1 1870549316 ZIXMQBMMMJWSJZ-UHFFFAOYSA-N 486.657 2.935 10 10 JFCE CC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328579765 JDCDATQPHNJJCE-QFIPXVFZSA-N 452.511 2.860 10 10 JFCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724330 LRDMFGRVTXOHAW-FBKCMUNRSA-N 492.648 2.603 10 10 JFCE CCCC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585340 BTLHRIBNPWUQCO-IERDGZPVSA-N 496.585 2.900 10 10 JFCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017525 RDGHHTFKAHMUGK-INIZCTEOSA-N 477.542 2.816 10 10 JFCE CCCCn1c(N)c(N(C)C(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(=O)[nH]c1=O 96593035 HOZBNDLENRFVJK-KHPPLWFESA-N 474.924 2.882 10 10 JFCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 103754296 GJCCZGMWPGJVRZ-GZTJUZNOSA-N 488.319 2.818 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC)[C@@H]2c1ccc(O)c(O)c1 1864016151 IPEWEUBRLUAGHQ-LJQANCHMSA-N 464.522 2.829 10 10 JFCE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1 1865029451 NORIMGPZHCSTKQ-OAQYLSRUSA-N 498.580 2.755 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865034848 GEZISEMKDWXFLL-NRFANRHFSA-N 493.564 2.557 10 10 JFCE CN1CCN(c2ccc3[nH]cc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)c(=O)c3c2)CC1 1866443225 BHPKGEARIURNRY-RUZDIDTESA-N 499.619 2.599 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccn4)cc3)CC2)cc1 1872724257 BRUATZNNXZMCOL-UHFFFAOYSA-N 482.562 2.619 10 10 JFCE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1OC 2296537538 VFRPXAAKDVOLRO-UHFFFAOYSA-N 484.555 2.949 10 10 JFCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1 2297345002 FPDATRANRDUENQ-UHFFFAOYSA-N 470.532 2.895 10 10 JFCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OC 206831804 OGPHXJSUTHLAKG-ATVHPVEESA-N 466.581 2.707 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 1540992680 WKUJHRKAVNDLEB-IBGZPJMESA-N 454.619 2.809 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3cccc(C)c3)CC2)cc1 1872635671 GGGUQSGBZHXHSS-UHFFFAOYSA-N 452.511 2.736 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330522009 XACQWKNFZXKCLR-QHCPKHFHSA-N 477.561 2.819 10 10 JFCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 6157109 FGNXLWFUKXUSNQ-FUECIBQHSA-N 491.938 2.749 10 10 JFCE CC1=NN(c2ccccc2Cl)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1C 252671130 MTTSSSXQBPNVAH-UHFFFAOYSA-N 468.991 2.981 10 10 JFCE CCOC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918031946 BBVDKKPTHGPQKC-GOSISDBHSA-N 454.527 2.652 10 10 JFCE COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(F)cc4)c(O)n3)CC2)cc1 1858519607 FOEDYDAECKYRNJ-UHFFFAOYSA-N 455.515 2.833 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864014252 QMZBSUGELKWKEP-NRFANRHFSA-N 493.564 2.868 10 10 JFCE COc1cc2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c(OC)c1OC 1866459698 ZLBSNITZFUHVTQ-NRFANRHFSA-N 491.548 2.873 10 10 JFCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871489720 HXVRNBCILQXHMF-UHFFFAOYSA-N 484.004 2.814 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)n4C)CC2)cc1 1873543878 HNFQYMFKRVBRSW-QZTJIDSGSA-N 464.570 2.553 10 10 JFCE CCCCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873544231 WJAMNDIKISWKSS-UHFFFAOYSA-N 466.586 2.538 10 10 JFCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 2297352269 VEHCUHJNDQTZCK-UHFFFAOYSA-N 451.548 2.980 10 10 JFCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989934 KEQGNPKVTHMYSD-JJBLJPBOSA-N 488.635 2.655 10 10 JFCE COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC 1084257261 FAABVUDNMHDCJP-MLPAPPSSSA-N 475.251 2.861 10 10 JFCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1nnc(NC(C)=O)s1 1857997798 LCZRCGVSEMLMQW-UHFFFAOYSA-N 480.503 2.920 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cc1 1859003315 HWZHBYMGYAZFKN-UHFFFAOYSA-N 457.483 2.858 10 10 JFCE CCC[C@H](NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861931631 DBNRPWFNBOKMLP-QFIPXVFZSA-N 455.555 2.960 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865032508 DUBGSLGWWFIPLX-NRFANRHFSA-N 481.597 2.565 10 10 JFCE COc1cccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c1 1866287007 LUEBWXHYQQCKTQ-HSZRJFAPSA-N 472.549 2.868 10 10 JFCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871481473 DWKUCULNEGYUTC-UHFFFAOYSA-N 463.586 2.551 10 10 JFCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1cccs1 2297345117 SANGMCKDCQOXRK-UHFFFAOYSA-N 490.544 2.597 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)SC2=S)cc1 2314930072 XBWJAHJEWLUCFK-UHFFFAOYSA-N 464.546 2.553 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1 35963618 INNLCPMGORSEFK-HSZRJFAPSA-N 452.555 2.987 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)CC2)cc1 742919675 CCHKJOWMZSTPPI-NRFANRHFSA-N 456.612 2.690 10 10 JFCE CNC(=O)c1ccc(CN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C2CC2)cc1 743362341 AJRGGNIHEZGUOV-UHFFFAOYSA-N 465.598 2.551 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccn4)c4ccccn34)CC2)cc1 1858224012 LBSVLDPHJKTBJI-UHFFFAOYSA-N 470.533 2.630 10 10 JFCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864009841 LNCAZOVEAXXNRE-HXUWFJFHSA-N 457.575 2.555 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4cccc(NC(C)=O)c4)n(C)n3)CC2)cc1 1869969841 UYBHGPPJELBHJH-UHFFFAOYSA-N 477.569 2.680 10 10 JFCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2140594310 DUXQVONLCBAGJP-SFHVURJKSA-N 457.527 2.655 10 10 JFCE COC(=O)c1[nH]c2cc(OC)ccc2c1NC=C1C(=O)NC(=S)N(CCc2ccccc2)C1=O 2296563790 TVFXWEHHWJGUAF-UHFFFAOYSA-N 478.530 2.745 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314829013 YMZLADIZTSRUOV-UHFFFAOYSA-N 451.526 2.947 10 10 JFCE O=C(O)CCCCN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O 15050947 GPYBLUPZHPGBSC-GFAPJHNFSA-N 452.941 2.924 10 10 JFCE O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21)N1CCOCC1 33458040 PAFIWCFDXDXKQB-XDHOZWIPSA-N 478.530 2.760 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254617643 QTKRDRHLJOQNED-HSZRJFAPSA-N 493.585 2.579 10 10 JFCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4ccc(Cl)cc4)c(C)[nH]3)CC2)cc1 1858531737 LZHJRUDLJGOICG-UHFFFAOYSA-N 481.984 2.926 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(Cc4cccc(F)c4)CC3)CC2)cc1 1861977268 BDAQEJAKCRDCHH-UHFFFAOYSA-N 468.573 2.511 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864011440 HSCBYUNOWZNSIT-XMSQKQJNSA-N 494.523 2.780 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864020730 GBBBACBYTCBOFG-IBGZPJMESA-N 458.559 2.894 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865026581 PWTFPBJAZLSIGT-OAQYLSRUSA-N 498.967 2.840 10 10 JFCE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2 2136313009 UXVAJIDPTDAVHH-ZBFHGGJFSA-N 463.535 2.551 10 10 JFCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1 2140788245 UPDFSGANSDIHCG-UHFFFAOYSA-N 469.535 2.731 10 10 JFCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 2293625475 UVRYZPWQSUEWDD-UHFFFAOYSA-N 456.476 2.848 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1 1862252715 OYXCKTKYKZHUQO-AREMUKBSSA-N 499.571 2.967 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865031127 ZJLKFUWEZXKQBD-MGPUTAFESA-N 470.570 2.582 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865033382 YOCGJLAYINHKIJ-NRFANRHFSA-N 493.539 2.576 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC 2297498359 ZQGAWLCAMDICEX-UHFFFAOYSA-N 472.588 2.926 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330162816 QVYFKFGDMMLXLS-UHFFFAOYSA-N 496.501 2.984 10 10 JFCE COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)N=C1O 33304457 CQSYKKLEEVTUHC-WQRHYEAKSA-N 465.462 2.763 10 10 JFCE C[C@H]1Oc2ccc(S(=O)(=O)Nc3nc(-c4ccc5[nH]c(=O)oc5c4)cs3)cc2NC1=O 71555629 ZBEWJGVLOMRXJU-SECBINFHSA-N 458.477 2.765 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCC(=O)O 210453290 YJQIWQGECWONJQ-SXGWCWSVSA-N 462.480 2.844 10 10 JFCE Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 1565532587 TXDFHSXTKSUUGO-HBRWFNOWSA-N 475.545 2.620 10 10 JFCE Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccs4)c(CC(=O)O)s3)ccc21 1858004091 JHJPVOWLHZHZAF-UHFFFAOYSA-N 451.507 2.744 10 10 JFCE COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 1858592570 STDMYHASYPQQMP-FSEGOYHTSA-N 476.488 2.912 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1864021694 FQNUWKXFKNVEGE-HNNXBMFYSA-N 475.427 2.739 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1 1868990863 GEMBXABXCNGDMS-UHFFFAOYSA-N 476.581 2.781 10 10 JFCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1 2297346069 AHQCEYKQPVZDEK-UHFFFAOYSA-N 498.542 2.926 10 10 JFCE COc1cccc(C(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326945153 ZXTDYSGGVCWZEP-UHFFFAOYSA-N 482.539 2.971 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCSCC3)nc12 33904603 VKHYLJFGKYKHDZ-YHZJOHHESA-N 488.660 2.936 10 10 JFCE COc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861936795 ROGCVJMGDMWNMM-LHRVCSDGSA-N 467.591 2.967 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3ccc(OC)c(F)c3)CC2)cc1 1872638028 LEXKLCPKVYQFHM-UHFFFAOYSA-N 456.474 2.696 10 10 JFCE Cc1cccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)C2=O)c1 2313466182 RYALANKJPIDYKJ-UHFFFAOYSA-N 466.453 2.514 10 10 JFCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc1 9440964 OCNDHGVCEYLDDS-INIZCTEOSA-N 489.619 2.641 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252666458 BNZAMQSRZMBAQB-QHCPKHFHSA-N 477.586 2.873 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4ccccc4Cl)C3)CC2)cc1 1858407853 BREJWRQAPMTQNQ-GOSISDBHSA-N 478.014 2.849 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccc(C)c(C)c3)CC2)cc1 1862195658 VGLBPOYOSAJEQH-QHCPKHFHSA-N 469.607 2.941 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862241771 KNAZHYLUGWWHNX-QHCPKHFHSA-N 477.540 2.623 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018524 MWFAHZRDAPFBMW-FQEVSTJZSA-N 464.522 2.896 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864019402 XYTNVLNRNYJTIL-LJQANCHMSA-N 452.486 2.875 10 10 JFCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027554 ZBLBVYBGXWQLNW-OAQYLSRUSA-N 496.951 2.858 10 10 JFCE CCCC[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867019828 OHSXPBAGPACDDD-LJQANCHMSA-N 470.547 2.510 10 10 JFCE COc1ccc(C2=NC(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-] 2053514551 QADPAGOXWQZLFS-UHFFFAOYSA-N 454.395 2.693 10 10 JFCE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2296160378 NTRODLQKQZVLMK-IBGZPJMESA-N 466.881 2.662 10 10 JFCE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc([N+](=O)[O-])ccc2O)C1=O 2297534341 LNHVHCFXLAHOKC-UHFFFAOYSA-N 461.228 2.950 10 10 JFCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)c1 11857685 NBAIRUSGOKQZJN-UHFFFAOYSA-N 461.521 2.983 10 10 JFCE CCOc1cccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1O 1860711518 ZPHKKWVTYCRKNK-UHFFFAOYSA-N 471.539 2.500 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)c3)CC2)cc1 1862003072 PVPPMPLPTPGKHH-IBGZPJMESA-N 492.551 2.511 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008152 DOTMTZJEZWHPJG-PGRDOPGGSA-N 476.533 2.890 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864011083 DKPYDISYQAGJRV-OAQYLSRUSA-N 482.512 2.637 10 10 JFCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029107 FZZFIXGEPQOVPV-OAQYLSRUSA-N 476.533 2.789 10 10 JFCE CC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869009568 FDZVZIBMRQCLDO-JOCHJYFZSA-N 478.593 2.806 10 10 JFCE CNC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016111 QHGOXOJDLGTNKT-UHFFFAOYSA-N 491.592 2.661 10 10 JFCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(CCOC)C3=O)c2C)cc1 2297560235 DGNIZBNPEMKAHZ-UHFFFAOYSA-N 455.536 2.544 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1862152326 QZSCTJNRQYFVPT-PMQIGOLDSA-N 483.565 2.588 10 10 JFCE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866239878 XJRMFBRLXLKCQR-QGZVFWFLSA-N 451.479 2.559 10 10 JFCE CC[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867281642 QNXBMICOJDHYPK-OFNKIYASSA-N 470.529 2.993 10 10 JFCE CN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080886836 JIIRURDFRVOREP-HNNXBMFYSA-N 453.536 2.517 10 10 JFCE COc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2323840256 GAQRCPWNKQLTKY-UHFFFAOYSA-N 464.590 2.795 10 10 JFCE CC[C@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328486077 ZVBDVLLAGONPHU-QFIPXVFZSA-N 467.566 2.969 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)NCc4cccnc4)n3)CC2)cc1 9650917 ODRFFCUUHHLUCZ-UHFFFAOYSA-N 466.567 2.760 10 10 JFCE CC(=O)N1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)CC1 1722774674 QHKASUMGUFXPKI-UHFFFAOYSA-N 495.653 2.751 10 10 JFCE O=C(O)C1CCN(C(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1860344923 HSPHLHQUMCRXLS-UHFFFAOYSA-N 456.502 2.898 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864019321 IPNNILWMHZXWDA-RTBURBONSA-N 484.940 2.592 10 10 JFCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864022531 NYNSWORDCNLDQD-CQSZACIVSA-N 461.400 2.528 10 10 JFCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865035051 KCVZYNZNUQDTQV-SXGZJXTBSA-N 470.570 2.843 10 10 JFCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2296880263 ZHONIFGFYSAVJF-UHFFFAOYSA-N 461.590 2.872 10 10 JFCE O=C1[C@@H]2C=CC(S(=O)(=O)Nc3ccc(O)cc3)=C[C@@H]2C(=O)[C@H]2C([N+](=O)[O-])=CC=C(Cl)[C@@H]12 242339275 ZGMCZFJBRUMXGN-NONVJHHQSA-N 462.867 2.501 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCOc3ccccc3)CC2)cc1 1862267918 XZTJOXOASNEIGV-QFIPXVFZSA-N 455.580 2.714 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 1862304501 JFNJZQMZYDCDFQ-NRFANRHFSA-N 485.606 2.505 10 10 JFCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008722 QOYSZAHRPRSKFS-FKIZINRSSA-N 450.495 2.720 10 10 JFCE NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864013618 DLHUCDUMTIATQK-OAQYLSRUSA-N 484.512 2.754 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871729885 VVRWUFXPMAFMJC-IBGZPJMESA-N 485.592 2.740 10 10 JFCE O=C(CN1C(=O)SC(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 2297561816 FDQNWIYBDPZIAW-UHFFFAOYSA-N 451.526 2.728 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328473533 XTGXQEZMACJAIG-SFHVURJKSA-N 453.539 2.579 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2358028154 GNJHOXCLAUGGTB-OLMMMNRUSA-N 477.558 2.658 10 10 JFCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccs1 1413039 UDISLCJTMCWODQ-MNJKBJKMSA-N 495.626 2.696 10 10 JFCE COc1ccc(CCC(=O)N2CC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858386886 AUPOKWLCIHRKKN-NRFANRHFSA-N 451.567 2.834 10 10 JFCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1 1864016342 MVUOAIXLFCEHAW-FQEVSTJZSA-N 469.501 2.904 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864023130 URNZIKDQPUPHBN-INIZCTEOSA-N 497.518 2.876 10 10 JFCE COc1cc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c(OC)cc1Cl 2297332665 PGAPWVXNKUNACJ-UHFFFAOYSA-N 477.813 2.646 10 10 JFCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 2314932230 UPGUWXUZVCSCCP-UHFFFAOYSA-N 459.461 2.604 10 10 JFCE Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40940712 QWLGZDHRLNIKEC-XSFVSMFZSA-N 497.598 2.779 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 248197872 RRFVRMVEZRPMPJ-JVUXEENTSA-N 452.507 2.716 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862261410 KAOUPARNNVSSLW-LHRVCSDGSA-N 495.601 2.745 10 10 JFCE COC(=O)[C@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)NC(=O)OCc1ccccc1 2286027590 RFRGTELPUYEBDW-HNNXBMFYSA-N 477.322 2.909 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1 2328619303 GJMVHNWKXOBSNE-UHFFFAOYSA-N 452.511 2.860 10 10 JFCE Cc1cc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c(C)n1-c1ccccc1 11085640 CIEORLAEXQXQQE-UHFFFAOYSA-N 482.606 2.551 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 1076136260 JDFJRVPFATXMEC-MTPHGBLSSA-N 481.936 2.657 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 1518369871 NGDJMDOQZYBLGK-JOCHJYFZSA-N 453.539 2.666 10 10 JFCE C=CC(=O)Nc1cc(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1F 1629472841 XMCSARYMVKVBNA-ZHACJKMWSA-N 452.486 2.802 10 10 JFCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864021620 DITKXEUXDYPNQY-IUODEOHRSA-N 482.459 2.713 10 10 JFCE CNC(=O)COc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870565103 TUYMZNQBJKJTGW-UHFFFAOYSA-N 490.604 2.547 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCNC(C)=O)CC2)cc1 1870613779 NXYCBIGJEBYFJK-UHFFFAOYSA-N 468.598 2.660 10 10 JFCE C[C@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2294093689 DZPGIJLEHXHLSI-NSHDSACASA-N 459.252 2.967 10 10 JFCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)c1 2313555969 HIRFZJZRUAJFJS-UHFFFAOYSA-N 471.422 2.773 10 10 JFCE CCn1c(=O)c(SCC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21 33259820 POVDDEWHHUXKMX-UHFFFAOYSA-N 495.649 2.846 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCCC3)nc12 33450955 IBLLKEQINWPERC-NTCAYCPXSA-N 458.565 2.669 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)c3nnc(Cc4ccccc4Cl)o3)CC2)cc1 58022663 HTEGLHDASKWMNN-UHFFFAOYSA-N 455.946 2.874 10 10 JFCE CN(C)c1ccc([C@@H](CNCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N(C)C)cc1 257650180 SBNLDKKVIAJDOX-HSZRJFAPSA-N 458.628 2.612 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 1463508543 BCFBQYYIFQKASF-UHFFFAOYSA-N 459.465 2.992 10 10 JFCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1858525158 NAADDHLIVYCYJJ-UHFFFAOYSA-N 453.930 2.694 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013104 QDWIVBSQZGEKJP-GOSISDBHSA-N 454.552 2.899 10 10 JFCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314541512 MYJXSZIECPETEP-CYBMUJFWSA-N 461.477 2.775 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)SC2=S)cc1 2314930099 XOGYHXSJVPEMNP-CYBMUJFWSA-N 478.573 2.942 10 10 JFCE Cc1ccc(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)c(O)c1Br 2381126046 MYZMGLIVFRXOQI-FQEVSTJZSA-N 499.358 2.907 10 10 JFCE COc1ccccc1CN(CCO)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 728571273 AAOVRILDZWOZIN-RTBURBONSA-N 459.562 2.559 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1749785098 YJZHWCHZTBYXLV-OAQYLSRUSA-N 454.619 2.765 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4ccccc4C)C3)CC2)cc1 1858406825 AYOXVBHPLYZKDP-FQEVSTJZSA-N 457.596 2.504 10 10 JFCE CCn1cccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)c1=O 1862019047 GKFLSQPOCWSKQW-DEOSSOPVSA-N 474.561 2.697 10 10 JFCE CCCCc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 1862169122 QBDZEHXBEKIFOA-JOCHJYFZSA-N 492.620 2.856 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2287556408 JSTDSEPRBXZMLV-ULQDDVLXSA-N 479.574 2.953 10 10 JFCE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2297500708 XXFOTCCNLVOCLQ-UHFFFAOYSA-N 460.508 2.779 10 10 JFCE COc1c([N+](=O)[O-])cc(NC(=O)C=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2313806190 OOZOFOJFNAOSFM-UHFFFAOYSA-N 473.398 2.908 10 10 JFCE COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1 20208143 SOZRQWFOHFMQSM-BGQXKEBWSA-N 457.537 2.724 10 10 JFCE O=C(O)CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S 33570334 QVXKYDLIIRAWCH-JYRVWZFOSA-N 494.532 2.745 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)c2)CC1 1138266708 GIGPZEZAOWOHAL-UHFFFAOYSA-N 450.948 2.632 10 10 JFCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008484 LCZFTNJGEGXMMG-JOCHJYFZSA-N 478.549 2.807 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027356 HMBRXPBIWIVZQW-FQEVSTJZSA-N 482.924 2.799 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865035536 WEMZQYMTSWEAJW-FQEVSTJZSA-N 486.569 2.619 10 10 JFCE CC[C@@](C)(NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866584756 BWBALGCDCANXIM-SGANQWHYSA-N 482.558 2.510 10 10 JFCE CCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868983112 XVGCZTYZODDUCZ-NRFANRHFSA-N 463.538 2.993 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869039898 MMVSBXMMGDHZAL-VWLOTQADSA-N 477.561 2.921 10 10 JFCE CCN(C(=O)CCCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2297500598 CTLPQMOYDRMZEJ-INIZCTEOSA-N 452.623 2.704 10 10 JFCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC)C(=O)O 2314933126 UAFXXLLQYLSDKR-AWEZNQCLSA-N 473.532 2.878 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)CC2)cc1 742910312 DOEVBNSJANNEIH-UHFFFAOYSA-N 463.582 2.733 10 10 JFCE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1 1360273650 PJSRBMKMNYGJGA-UHFFFAOYSA-N 457.596 2.981 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 1565532124 GYANDCQRFGDFAY-HORADPIPSA-N 469.925 2.513 10 10 JFCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)N2CCCCC2)cc1 1858074037 AMDGLADRZIURJR-QHCPKHFHSA-N 484.622 2.912 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NN2CCN(C)CC2)sc(C)c1-c1ccc(OCC)cc1 1860762880 USSHNTVKSPHWFT-UHFFFAOYSA-N 474.583 2.516 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865034071 OEVUTGUMLGDHES-MRXNPFEDSA-N 495.502 2.582 10 10 JFCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867822532 HOJZJUDRECFGAN-QFIPXVFZSA-N 498.540 2.642 10 10 JFCE COC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870447822 HXXWKWWAXKFSGB-UHFFFAOYSA-N 457.571 2.777 10 10 JFCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1891796745 BMYOXKMOCSESAR-UGKGYDQZSA-N 455.580 2.626 10 10 JFCE CC(C)(C)OC(=O)NC1CC(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200964272 PCRBKTHPJLRBIA-JCYILVPMSA-N 479.574 2.953 10 10 JFCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)C1 2314400703 QPIXWGPNRNTOSS-ZIAGYGMSSA-N 472.592 2.853 10 10 JFCE Cc1cc(=O)oc2cc(OCC(=O)NN3C(=O)CS[C@H]3c3ccc(N(C)C)cc3)ccc12 59461986 QWAHRSICMROJSV-QHCPKHFHSA-N 453.520 2.852 10 10 JFCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCCCN2CCOCC2)cc1 101428240 CCHBVEHYBWQHJJ-OQKWZONESA-N 465.510 2.550 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCCO)CC1 1508213292 CROGOUGPADDXCV-UHFFFAOYSA-N 480.613 2.810 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864010163 JETMOHAJQBCXNG-HXUWFJFHSA-N 464.522 2.803 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864012767 IWNDXXITQHRCLZ-IERDGZPVSA-N 491.548 2.621 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029638 RYAPBVLYNIOIAN-FQEVSTJZSA-N 462.506 2.904 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865031524 IUHVNBQXHYNHFD-AWEZNQCLSA-N 452.433 2.947 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970488 KVUXXASNFJIZPG-UHFFFAOYSA-N 497.987 2.721 10 10 JFCE COc1cc(CNC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 2296944618 ASAGVDYNLBSSET-UHFFFAOYSA-N 490.310 2.731 10 10 JFCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccccc2)o1 2297462789 JFADYMUYDJHENV-LJQANCHMSA-N 486.546 2.610 10 10 JFCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccs2)SC1=S 2314837742 WFUDVUAJPBISQG-JTQLQIEISA-N 453.592 2.624 10 10 JFCE O=C(O)Cc1ccc(N2C(=O)/C(=C3\C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1 210170116 YBMWPKWWCIPIMQ-ISLYRVAYSA-N 454.485 2.521 10 10 JFCE Nc1ccc(OCCn2cnc(I)c2I)cc1 306051402 PQUZARBHMWPRDF-UHFFFAOYSA-N 455.037 2.754 10 10 JFCE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1138104377 UTFOVBPJPMGNCE-QGZVFWFLSA-N 451.523 2.876 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)c2)CC1 1435912771 RNBOOSRFPIIKAI-UHFFFAOYSA-N 455.458 2.901 10 10 JFCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864009203 CDFKTFBCLXRJHZ-QFIPXVFZSA-N 483.613 2.946 10 10 JFCE CCCCN(C)C(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872725266 ZXUBXBCNMHJSSS-UHFFFAOYSA-N 475.611 2.843 10 10 JFCE CCN1C(=O)C(=Cc2cc(C)n(CCOC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509066 RBAKLYDFJPNASI-UHFFFAOYSA-N 473.595 2.679 10 10 JFCE COc1cccc(C=C2SC(=S)N(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)C2=O)c1 2320656543 YKXMUHTWLMOKFS-UHFFFAOYSA-N 495.582 2.699 10 10 JFCE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 205621879 OLKCAVPCJBLOGW-NBVRZTHBSA-N 458.634 2.731 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862121854 HJLPVPKFEUMNBE-QFIPXVFZSA-N 459.587 2.964 10 10 JFCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018304 HYCYEBGQUVFXFY-NRFANRHFSA-N 496.539 2.891 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1 1868593640 YGNDMEFVAFXCLT-UHFFFAOYSA-N 480.590 2.738 10 10 JFCE CCCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658934 YWLXIIUSQJHTPV-UHFFFAOYSA-N 451.571 2.934 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nnc(Br)s1 2234290538 YOXKRGVQUFUPLP-VIFPVBQESA-N 459.322 2.786 10 10 JFCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400168 JWOZSYCRPFPZBD-HOTGVXAUSA-N 488.635 2.854 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C 35964009 RFUCXXWAHQSOPO-QFIPXVFZSA-N 485.585 2.786 10 10 JFCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990084 FJIDXAYWGOZWKN-OLWAXZHHSA-N 474.608 2.961 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)CC2)cc1 742939239 BVHNHKDLDPESIS-UHFFFAOYSA-N 480.613 2.581 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1741065155 VRGXJPWEEIHFNW-YKSBVNFPSA-N 467.662 2.813 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865028107 PQLULIWDZGRCAE-KSFYIVLOSA-N 476.533 2.517 10 10 JFCE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866120640 FPWFERGOZUWNOD-NRFANRHFSA-N 485.496 2.961 10 10 JFCE O=C(O)CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S 2314482659 QVXKYDLIIRAWCH-UHFFFAOYSA-N 494.532 2.745 10 10 JFCE PN1CCN(c2ccc3c(c2)OCCOCCOc2ccccc2OCCOCCO3)CC1 15774326 ZKJQBAWDVJEYGM-UHFFFAOYSA-N 476.510 2.861 10 10 JFCE CC[C@@](C)(NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868607418 WBVKPROXUCEQSH-AREMUKBSSA-N 467.566 2.643 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc5c(c4)OCCO5)[nH]3)CC2)cc1 1871709892 ZBGWDHNDNATRBC-UHFFFAOYSA-N 491.596 2.633 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)c1 2297329289 GUFMWWZNUQVABZ-UHFFFAOYSA-N 456.524 2.604 10 10 JFCE CC[C@H](Oc1cccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)c1)C(=O)O 2314932024 SQHGIOQTTNJRTF-KRWDZBQOSA-N 450.582 2.852 10 10 JFCE CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 8607644 XKLRNUCTHIMJSH-DEOSSOPVSA-N 450.583 2.691 10 10 JFCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCN2CCOCC2)cc1 205963258 IEEDIKGXBPNWCA-PTGBLXJZSA-N 450.539 2.651 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(OC)c(OC)c4)C3)CC2)cc1 1858094575 CGJPMYPBJVXKKI-HXUWFJFHSA-N 467.566 2.913 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(N(C)C)cc3)CC2)cc1 1862294628 FEOIMAALIFUTKP-JOCHJYFZSA-N 454.596 2.625 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1 1865304036 ABHDIYRAXDBMRL-NRFANRHFSA-N 463.538 2.856 10 10 JFCE CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868787181 SAXZLKFPJNNKQG-GBXCKJPGSA-N 478.593 2.682 10 10 JFCE CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870445193 TWCZJKGTDBVSDI-UHFFFAOYSA-N 457.571 2.920 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(OC)c(OC)c4)[nH]3)CC2)cc1 1871542880 YMLISTURWUNWPL-UHFFFAOYSA-N 493.612 2.879 10 10 JFCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCC3)ncnc21 1873556983 HAYBRSQITJLCFO-UHFFFAOYSA-N 464.570 2.649 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314400641 OSTURNZMVRMVAQ-AWEZNQCLSA-N 485.635 2.704 10 10 JFCE COc1cc(C=C2SC(=S)N([C@@H](Cc3cnc[nH]3)C(=O)O)C2=O)cc(Br)c1O 2323716923 MMCREDUNSZKREI-NSHDSACASA-N 484.353 2.784 10 10 JFCE CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(N(C)C)cc3)cc2C[C@H]1C 15769037 ZLAHSQVMYJVUSL-QGZVFWFLSA-N 457.596 2.920 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)CC2)cc1 1858398039 FUHFLNRENJVQFO-FQEVSTJZSA-N 457.596 2.671 10 10 JFCE O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccc4nc(O)oc4c3)cccc21 1858608242 LMLYBQNZNPUTML-UHFFFAOYSA-N 479.495 2.984 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)CCc3ccc(Br)cc3)CC2)cc1 1861948768 UATQHICOOZIAAT-UHFFFAOYSA-N 460.372 2.855 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014666 ZZHDKGMADIXPET-FQEVSTJZSA-N 480.569 2.679 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864019319 IPNNILWMHZXWDA-OALUTQOASA-N 484.940 2.592 10 10 JFCE COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCCO4)[nH]c3nc(O)[nH]c(=O)c23)c1O 8674008 AGUCEYLGHGDAKM-UHFFFAOYSA-N 455.448 2.924 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(C(F)(F)F)ccc3O)cc2)CC1 1561469022 VCIYHIAPQACTQA-UHFFFAOYSA-N 457.474 2.558 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)cc2)CC1 1632944532 BXBHYQPULVBEPN-UHFFFAOYSA-N 457.600 2.655 10 10 JFCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035894 BFYXAZRWDUOGQN-HSZRJFAPSA-N 498.539 2.897 10 10 JFCE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200950779 CJHLZWHBLLFATI-INIZCTEOSA-N 479.574 2.907 10 10 JFCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2296114031 JAHYKYNCUCHRRC-UHFFFAOYSA-N 480.908 2.724 10 10 JFCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296546472 ZJRCDBOFRPRBOF-MRXNPFEDSA-N 452.561 2.979 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 2297348276 CXRYRDIWPPFGKM-UHFFFAOYSA-N 489.491 2.875 10 10 JFCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2313559721 OEUXGSPWHACLHC-UHFFFAOYSA-N 477.183 2.638 10 10 JFCE Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 15105505 NPZQQBBKZHBEOH-UHFFFAOYSA-N 456.568 2.888 10 10 JFCE CCCN1C(=O)c2c(C(=O)NCc3ccc(N(C)C)cc3)ncn2C[C@]1(C)C(=O)NCCC(C)C 21919391 RVIPQOJNQRAFJV-AREMUKBSSA-N 482.629 2.666 10 10 JFCE CCCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 33369777 BGOFVFMKCFMLQX-BMRADRMJSA-N 476.624 2.897 10 10 JFCE CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O 72320687 IBEGDRZNUYGDBZ-VXKWHMMOSA-N 486.657 2.509 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cc4nc[nH]c34)cc2)CC1 1625193388 STBFJBSWJWKXOS-UHFFFAOYSA-N 456.344 2.924 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)[C@H](C)C1 1722780714 PBPVWWLSVCOUII-LJQANCHMSA-N 477.613 2.888 10 10 JFCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864018570 ODYNPCITKNSNMJ-FQEVSTJZSA-N 482.512 2.501 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030466 KIZWDVPQURDIFR-JOCHJYFZSA-N 492.576 2.749 10 10 JFCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871645104 HUDJJXHCBJDXAG-UHFFFAOYSA-N 484.004 2.896 10 10 JFCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n3cc(C)ccc3nc21 1875239600 SUBLSARCGNIHSR-UHFFFAOYSA-N 475.549 2.575 10 10 JFCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1 2294093805 REYGLOGLJLMHRC-UHFFFAOYSA-N 490.310 2.944 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2313559484 BNEFCKAFGVBEOC-UHFFFAOYSA-N 459.252 2.667 10 10 JFCE CC(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)CC1 1705978928 XEEOLVSTEZHERN-KRWDZBQOSA-N 450.634 2.870 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccnc2)=C(N)O3)cc1 1864022255 LCZXGRYATUAUII-NRFANRHFSA-N 499.527 2.913 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871490518 OIXABKSZDDIWDL-QGZVFWFLSA-N 484.004 2.549 10 10 JFCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989788 VTPCYRCKMFEYNI-TZPRWQMZSA-N 474.608 2.816 10 10 JFCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152210 YMZLADIZTSRUOV-QINSGFPZSA-N 451.526 2.947 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3c(F)cccc3F)CC2)cc1 585203340 OBUUEUNJZUCYDK-UHFFFAOYSA-N 468.526 2.637 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 726241625 AKANCHWPMQJCOM-UHFFFAOYSA-N 452.534 2.641 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864010821 XGEZGJCGCAYKRQ-HXUWFJFHSA-N 450.495 2.512 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865026844 BMAUDFQOAFRRBD-FQEVSTJZSA-N 482.924 2.799 10 10 JFCE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865035537 WEMZQYMTSWEAJW-HXUWFJFHSA-N 486.569 2.619 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(O)c1 1865043406 TVXTYALKZVBYPY-HSZRJFAPSA-N 489.576 2.969 10 10 JFCE C[C@@H](O)Cn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871033242 WJOPTBUOUKIMTI-HXUWFJFHSA-N 492.576 2.822 10 10 JFCE COc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1[N+](=O)[O-] 2053498346 LOWMPVQKYYGCAV-UHFFFAOYSA-N 487.515 2.963 10 10 JFCE CN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296546104 NFUFENMUNHWWBR-UHFFFAOYSA-N 481.578 2.991 10 10 JFCE COc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCCC(=O)O 2314933326 VDXMTJAKLANJOW-UHFFFAOYSA-N 494.572 2.643 10 10 JFCE Cc1ccc(CNC(=O)c2cnn(C)c2I)c(O)c1Br 2381129322 IODMPYLIOUZNBY-UHFFFAOYSA-N 450.074 2.731 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076221448 QYXPJYWPGHOFPM-VNWDASSNSA-N 479.508 2.533 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1301649437 WARLUVGXZXEHKM-HXUWFJFHSA-N 472.609 2.904 10 10 JFCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865027884 MZZURXCTQPGTHR-DYESRHJHSA-N 496.951 2.923 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032752 JXZNODBEXRMDLI-IBGZPJMESA-N 484.940 2.645 10 10 JFCE CCc1nn(CC)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865356533 AJZPEBKUWMIDSY-QHCPKHFHSA-N 490.608 2.856 10 10 JFCE CC[C@](C)(NC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961006 DRFTXBZXVLCUMJ-DEOSSOPVSA-N 452.511 2.789 10 10 JFCE CCCCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581333 ICGMQBGMIUOLFI-GOSISDBHSA-N 466.586 2.677 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2200972372 RZCSDHWXCMYNHD-CUVVAGTFSA-N 467.566 2.924 10 10 JFCE CCOc1ccc(N2C(=O)C[C@H](NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 105187871 OAAZKNXABLZJAR-DEOSSOPVSA-N 466.582 2.528 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252666280 AZEWREFMJXWLIF-JOCHJYFZSA-N 463.559 2.570 10 10 JFCE CCC[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862129832 LOZOMEGSNYIVDG-JOCHJYFZSA-N 487.000 2.712 10 10 JFCE CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2297730646 HHSLJRTTWVZYDB-INIZCTEOSA-N 467.279 2.997 10 10 JFCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33423932 WNILLMSFDPSSJX-JQIJEIRASA-N 462.597 2.771 10 10 JFCE Cc1cc(-n2c(C)cc(/C=C\C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2C)no1 96842740 GXYWGEBXXOGAPO-KHPPLWFESA-N 474.521 2.547 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CSCC(=O)Nc3ccc(C)cc3)cc2)CC1 1296399701 LKWDULCBMJZVMN-UHFFFAOYSA-N 454.596 2.652 10 10 JFCE CCn1cc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)ccc1=O 1861981796 LUSWHSUHURRDSY-RUZDIDTESA-N 474.561 2.697 10 10 JFCE C[C@H](O)Cn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871033241 WJOPTBUOUKIMTI-FQEVSTJZSA-N 492.576 2.822 10 10 JFCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOC)ncnc21 1875201918 BKYQAGMCPPDUBR-UHFFFAOYSA-N 452.559 2.871 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)CC2)cc1 743362395 BNQONGMBOUEXNZ-UHFFFAOYSA-N 488.592 2.964 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864007327 KMYIHVVKHBJKJG-QFIPXVFZSA-N 486.532 2.690 10 10 JFCE O=C(O)Cc1ccc(N2C(=O)C(=C3C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1 2314534087 YBMWPKWWCIPIMQ-UHFFFAOYSA-N 454.485 2.521 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1864009721 LDGWDYPGCDLQED-HXUWFJFHSA-N 457.575 2.555 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1 1864021218 NGXNRHZEMUBJEX-FQEVSTJZSA-N 498.580 2.763 10 10 JFCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1 1865028409 UKASICSZSHPWMP-CVDCTZTESA-N 490.560 2.637 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865031417 GJPZQLNYKPSZNE-KKSFZXQISA-N 490.560 2.907 10 10 JFCE Cc1cc(C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1866834395 SDMNPAKWJUNTEP-HSZRJFAPSA-N 494.507 2.686 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2200951174 INSXWYHILZTMLU-CVEARBPZSA-N 481.546 2.591 10 10 JFCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCCN3CCOCC3)nc12 33794009 ADXBLOMSNCMIOJ-XDJHFCHBSA-N 499.662 2.891 10 10 JFCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 248035332 JFHMMQSKGGIEGV-SDHOMARFSA-N 478.593 2.900 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3c(F)cccc3F)cc2)cc1 1859008654 VYWRFNORTOQJQE-UHFFFAOYSA-N 489.500 2.926 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3ccc(C)cc3)CC2)cc1 1862272521 BTHFAOWTFOXZCW-QHCPKHFHSA-N 471.623 2.969 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871492984 PVXPFFGIFNWWQQ-UHFFFAOYSA-N 484.004 2.550 10 10 JFCE CCc1ccc(Nc2nc(=NC[C@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585686 MLSKJGXTXUBVFV-SFHVURJKSA-N 463.586 2.727 10 10 JFCE 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COCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2053496905 PBJBZNRDNAXYRH-UHFFFAOYSA-N 498.634 2.939 10 10 JFCE COCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2053496991 RSAIYKPOCAIRGG-UHFFFAOYSA-N 484.607 2.631 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 2297345400 SYOGHOWEGAJQQJ-UHFFFAOYSA-N 459.465 2.866 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328584653 UCWYORFEBGPCGV-HSZRJFAPSA-N 464.522 2.956 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248065395 RCLGOHMXMZDSTJ-MSZDEVHKSA-N 494.548 2.773 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4c(C)ccc(C)c4C)C3)CC2)cc1 1615104424 DFENDVHWMOZZTO-LBNVMWSVSA-N 484.637 2.828 10 10 JFCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)c1 1858073874 NBWWHAKHQYODJZ-UHFFFAOYSA-N 461.477 2.548 10 10 JFCE CCc1sc(NC(=O)C(=O)NC[C@H](C)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763978 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JFCE COc1ccc(N2CCN(CCNC(=O)c3cc(F)ccc3I)CC2)cc1 750729943 FJUYZPJUDXQUMG-UHFFFAOYSA-N 483.325 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862050151 XIIUHAGMTCVPRB-ZEQRLZLVSA-N 483.634 2.941 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864013185 RVCYAAJOZXRZRF-OAQYLSRUSA-N 496.539 2.627 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1 1864016228 JYDXBKYVIADBSO-FQEVSTJZSA-N 478.549 2.955 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017297 JHSBFWYRMMLYHB-HXUWFJFHSA-N 497.983 2.872 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868726981 PHFSWQIHJSMRSZ-LJQANCHMSA-N 467.566 2.643 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(-c5ccncc5)[nH]n4)CC3)CC2)cc1 96324609 HLPKLEMMXQJCOF-UHFFFAOYSA-N 474.565 2.681 10 10 JFCE O=C(O)COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 210428431 KOCINMOCXFZLDB-DHDCSXOGSA-N 459.461 2.604 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)CCN(C)C(=O)OCc3ccccc3)cc2)CC1 1567591275 CSNUDEWUPHDCJC-UHFFFAOYSA-N 452.555 2.630 10 10 JFCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017673 RIZGLRLJGJTHNJ-LJQANCHMSA-N 484.940 2.693 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2 1865030344 IAQODAPCPZCFIQ-OXQOHEQNSA-N 498.580 2.763 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)CC2)cc1 1866359318 JHROHFPIUKYYRO-UHFFFAOYSA-N 472.339 2.793 10 10 JFCE COc1cc(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O 2313557638 IFOOBNPUFYDOKW-UHFFFAOYSA-N 482.205 2.811 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865032514 DYHVAFJDZYVKAS-NRFANRHFSA-N 493.539 2.576 10 10 JFCE COc1cccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c1 1866287008 LUEBWXHYQQCKTQ-QHCPKHFHSA-N 472.549 2.868 10 10 JFCE CCCN(CCC)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868601620 NXDPVFOOUYZINK-UHFFFAOYSA-N 453.587 2.795 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n(C)n3)CC2)cc1 1869969112 FEWCTAXSMBIPSJ-UHFFFAOYSA-N 471.905 2.964 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871605014 FWSLVEZIOIUYLN-UHFFFAOYSA-N 491.640 2.986 10 10 JFCE COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(Cc2ccc(N(C)C)cc2)CC3)cc1 14880830 PJGLHYOPSXTTPQ-UHFFFAOYSA-N 490.604 2.920 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@@H](C)C(=O)O)C2=O)ccc1O 15044949 RZGRFEMLAUITFF-IEMQHYRPSA-N 452.554 2.752 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)CC2)cc1 1862012167 GIBDIYPJWCTZEW-UHFFFAOYSA-N 494.979 2.637 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864007605 QCYRDHQNJPMRPZ-OAQYLSRUSA-N 464.522 2.828 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864009491 IGTOGDNXTQDJPP-HXUWFJFHSA-N 450.495 2.642 10 10 JFCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865027550 JLQGZBDQLUIABL-QVKFZJNVSA-N 496.951 2.923 10 10 JFCE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CC)n2)CC1 1867958200 PSEXELMLFIKBAV-UHFFFAOYSA-N 454.575 2.653 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873165132 DADQWLHGRZNFPG-UHFFFAOYSA-N 494.636 2.911 10 10 JFCE CCOc1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)NC2=S)c1 2294204860 LODUDLILDXDUND-UHFFFAOYSA-N 457.464 2.842 10 10 JFCE O=C(O)COc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 2314926704 PWZONOIVSBXFBB-UHFFFAOYSA-N 459.457 2.952 10 10 JFCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(OC)c(OC)c3C(=O)O)SC2=S)c1 2314929442 MRZYVZPGWVFDJG-UHFFFAOYSA-N 474.516 2.957 10 10 JFCE CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 8602732 GJOZAMAWCSKXGM-LJQANCHMSA-N 490.626 2.591 10 10 JFCE CCc1nn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc3sccc3n12 8605035 CULWXUCPJOUERK-UHFFFAOYSA-N 451.552 2.631 10 10 JFCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)CC1 1508212963 AGMHDJTZOQPNNT-UHFFFAOYSA-N 477.613 2.890 10 10 JFCE CC(=O)N1CCN(c2cccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)CC1 1623787481 WMWHCVYAUJKANC-UHFFFAOYSA-N 451.571 2.856 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864017405 LLCAAGJZQCBZBM-OAQYLSRUSA-N 486.532 2.623 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869970927 UBUVKCHAZMGMHD-UHFFFAOYSA-N 455.522 2.672 10 10 JFCE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2044628189 BIHSKPQMHGSWIL-OAHLLOKOSA-N 450.580 2.884 10 10 JFCE CCCCn1c(N)c(N(C)C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2Cl)c(=O)[nH]c1=O 14655237 XWNKPBXJWARMFP-VAWYXSNFSA-N 470.961 2.802 10 10 JFCE CCCC[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)C=[N+]=N 642887498 VOLHYGOJJLVNPD-KSEOMHKRSA-O 488.609 2.632 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(F)c(C)c4)C3)CC2)cc1 1858398735 CUSQDDPONRSLOO-GOSISDBHSA-N 461.559 2.502 10 10 JFCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027212 WEBADGCCDUKRKL-NRFANRHFSA-N 461.522 2.940 10 10 JFCE C/C(=C\c1ccccc1)C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866813682 DXYNNABEXZPPIR-KJLVKZSNSA-N 454.482 2.981 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCOCCO)CC2)cc1 1870470654 HYSFOLNKICPSSU-UHFFFAOYSA-N 493.604 2.767 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719900 LKSREPVOJMUUQN-JOCHJYFZSA-N 477.569 2.669 10 10 JFCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C[C@H]1CCCO1 2297508983 FSJGEOUUJFAVIY-HXUWFJFHSA-N 485.606 2.822 10 10 JFCE COc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 15937000 HSMPQLRNVVPRCW-ZCIRBWHOSA-N 491.529 2.823 10 10 JFCE COc1c([N+](=O)[O-])cc(NC(=O)/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 207410895 OOZOFOJFNAOSFM-HYXAFXHYSA-N 473.398 2.908 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 1556199600 PQTNOESEAPZZCS-OAQYLSRUSA-N 454.596 2.728 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3NC(=O)OC(C)(C)C)cc2)CC1 1634074554 PTFKCDGBALIGOA-RLBLXZPPSA-N 470.614 2.911 10 10 JFCE COC(=O)c1c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860761579 ZBXMVAIQZXHQJD-UHFFFAOYSA-N 457.552 2.789 10 10 JFCE CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861954643 JDCDATQPHNJJCE-YUWCZGPHSA-N 452.511 2.860 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H]3CCCN(C)C3)c3ccccc3)CC2)cc1 1862006170 WYHPGPTVZSKZDL-QPPBQGQZSA-N 450.583 2.543 10 10 JFCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018399 KIXWANQPPBRJHH-ZUOKHONESA-N 498.967 2.750 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033841 ITVGLBCVDVNFAL-LJQANCHMSA-N 462.506 2.824 10 10 JFCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NC[C@@H]1CCCO1 1870979881 HXOIEYFISUECPL-DEOSSOPVSA-N 492.576 2.870 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@H](C)O[C@H](C)C3)n4C)CC2)cc1 1873543877 HNFQYMFKRVBRSW-HDICACEKSA-N 464.570 2.553 10 10 JFCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 2330566725 MCZZQWXCUAIVGL-UHFFFAOYSA-N 497.592 2.978 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)CC1 1447706859 DWYWAZNBBZAOKR-QFIPXVFZSA-N 454.958 2.678 10 10 JFCE CC[C@](C)(NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933089 VRZNJNNKEIILIU-VWLOTQADSA-N 455.555 2.960 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011799 YMYYXOKFENODRE-JOCHJYFZSA-N 491.592 2.917 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011815 YWEGUBAKGQCVOG-LFVRLGFBSA-N 486.528 2.937 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 2294134115 UFULVJLJAHEIHA-UHFFFAOYSA-N 459.252 2.887 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314489801 VRQVHURPAUFUSS-UHFFFAOYSA-N 488.547 2.810 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 35518330 VRQVHURPAUFUSS-AQTBWJFISA-N 488.547 2.810 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1 38483453 HDDDKLGJSKWCNF-UHFFFAOYSA-N 493.518 2.870 10 10 JFCE COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(OC)c(OC)c2C(=O)O)SC1=S 210402696 UXDXPNPCBLMFEU-GDNBJRDFSA-N 474.516 2.957 10 10 JFCE CC(=O)N1CCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2CC1 1475004898 VUMOTWNOLUVOLI-JOCHJYFZSA-N 458.580 2.709 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(=O)n(Cc4cccc(F)c4)c3)CC2)cc1 1862007314 GNFLOJAPSXQGMS-IBGZPJMESA-N 492.551 2.511 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865030205 FRFAJLOIZYMXNW-HXUWFJFHSA-N 469.586 2.516 10 10 JFCE CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2294093809 RHKKBQIVEYJOMG-UHFFFAOYSA-N 461.430 2.600 10 10 JFCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(O)c(Br)c3)C(=N)N21 2297345634 NXSQLTXDJPPHCC-UHFFFAOYSA-N 471.358 2.802 10 10 JFCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 16915179 VOXCUCUVMNVXQX-CXUHLZMHSA-N 489.487 2.613 10 10 JFCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1OC 35519689 ZQSSEEWVAWHPCK-XDJHFCHBSA-N 479.624 2.829 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 1475194680 VTXGCAFGNPNEBI-UHFFFAOYSA-N 452.374 2.596 10 10 JFCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ncn3)CC2)cc1 1858246968 AXYRHJNYXUMANJ-UHFFFAOYSA-N 476.556 2.913 10 10 JFCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1858957767 PKKDRSCPANSQIB-UHFFFAOYSA-N 484.490 2.513 10 10 JFCE CCOc1ccccc1OCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862173910 GMKUCBNIOHHZND-QFIPXVFZSA-N 467.566 2.813 10 10 JFCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865032721 JDMZJDNRWNPNGW-KSFYIVLOSA-N 490.560 2.771 10 10 JFCE CC(=O)Nc1cccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867636223 HWGPYJOLKGLPAU-DEOSSOPVSA-N 465.598 2.784 10 10 JFCE CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870499435 NHNBZBWYVINVMG-UHFFFAOYSA-N 477.565 2.612 10 10 JFCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2314837964 ZAYQNAJBVSFAIH-LLVKDONJSA-N 465.553 2.702 10 10 JFCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 15048074 OSDZFDVVTSNAEA-COOUDCDJSA-N 482.580 2.760 10 10 JFCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3)CC2)cc1 33309956 OXLIOKXCXGOHAC-UHFFFAOYSA-N 493.589 2.949 10 10 JFCE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33386993 DUFMQTQBWREEMR-QCUKBLKESA-N 459.641 2.707 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3ccccc3)CC2)cc1 38483354 IJDWSTQDBSJJLQ-UHFFFAOYSA-N 457.538 2.592 10 10 JFCE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C1CCCCC1 138144804 QYXPJYWPGHOFPM-XNZYNNNKSA-N 479.508 2.533 10 10 JFCE COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1O 247896786 CZKMSAZJWNORAV-YHZQYDDPSA-N 494.544 2.751 10 10 JFCE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 248082128 VOGYDVVWWSCJNR-YGWSKSRPSA-N 465.550 2.570 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)CC1 857493756 BGASZZZCRCNIEX-VWLOTQADSA-N 451.567 2.908 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1741065152 VRGXJPWEEIHFNW-GBXCKJPGSA-N 467.662 2.813 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012458 ADRFXFGLRDKLSW-LHSJRXKWSA-N 496.539 2.626 10 10 JFCE C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1868016356 FRDZZIRSILJVET-GAJHUEQPSA-N 492.576 2.779 10 10 JFCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871547945 JRDOWUJFHJHWLY-UHFFFAOYSA-N 477.613 2.859 10 10 JFCE COCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871695742 VLQUBUNBONBVEO-UHFFFAOYSA-N 492.628 2.887 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 2136240914 RTNRTPGYJSDYBE-PMACEKPBSA-N 455.555 2.924 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 2294204832 IDSAYMQVYLMHSM-UHFFFAOYSA-N 475.320 2.832 10 10 JFCE CC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328595724 PKHXZKSLICTKID-JOCHJYFZSA-N 452.511 2.860 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248082126 VOGYDVVWWSCJNR-MSZDEVHKSA-N 465.550 2.570 10 10 JFCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 253609330 HXVNRKFMDLTFSX-YCVRIQNWSA-N 483.477 2.629 10 10 JFCE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4c(C)nn(C)c4C)c(=O)n32)cc1 254836554 YUDVKUHROLLTNC-HSZRJFAPSA-N 493.633 2.605 10 10 JFCE Nc1ccc(N=Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)cc1 256386244 XZDOEWBFAWRCLD-UHFFFAOYSA-N 487.493 2.578 10 10 JFCE O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3CCC[C@@H](CCOc4ccccc41)O3)N(Cc1ccccc1O)C2 1614976317 GBRVWZMEAVGBEW-QXUYBEEESA-N 479.577 2.602 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(OC)c(OC)c4)C3)CC2)cc1 1858094574 CGJPMYPBJVXKKI-FQEVSTJZSA-N 467.566 2.913 10 10 JFCE CN1CCC[C@H](C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)C1 1860870379 YWZLKVYKELJKGK-QHCPKHFHSA-N 463.626 2.991 10 10 JFCE CC[C@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862026075 PFZRWSXWCSHQNX-VWLOTQADSA-N 488.588 2.762 10 10 JFCE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862274927 UUXYSAVFFYWRFQ-HXUWFJFHSA-N 485.497 2.677 10 10 JFCE CC[C@](C)(NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862306574 WQSQKLYXFFSPIZ-SANMLTNESA-N 469.582 2.889 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3ncc4ccccn34)CC2)cc1 1868799573 AIMUJGBDTQLPSQ-QHCPKHFHSA-N 495.649 2.862 10 10 JFCE CN(C)C(=O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200970962 LFVVBVIPVUVWSO-IBGZPJMESA-N 471.554 2.651 10 10 JFCE O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558481 BWMQVWZDZGLWHA-UHFFFAOYSA-N 479.283 2.883 10 10 JFCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)OC3CCCC3)c3ccccc32)SC1=S 2326944735 GYNIWYOQGAXVQQ-UHFFFAOYSA-N 460.533 2.565 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 15935265 SBKHRCPGHCMPEM-YPVAQXRKSA-N 458.477 2.510 10 10 JFCE COc1ccc(-c2c(C)oc3c(CN4C[C@H](O)C[C@H]4C(=O)O)c(O)ccc3c2=O)cc1OC 1615247556 DZRVZMASGOPJQI-PBHICJAKSA-N 455.463 2.511 10 10 JFCE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CNCc3ccc(N(C)C)cc3)cc2)n1 1860716525 OTCKERVIWNPQQN-UHFFFAOYSA-N 468.583 2.689 10 10 JFCE CCN1CCC(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)CC1 1861971050 KOLKZVHYYZQIGF-VWLOTQADSA-N 464.610 2.933 10 10 JFCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864009107 ZISZFQXCKFAXMB-OKQOGFBXSA-N 450.539 2.919 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014435 VCSXVEWQGSAYCL-HXUWFJFHSA-N 471.602 2.809 10 10 JFCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)[C@H]2c1ccc(O)c(O)c1 1865035189 NNTZKWKNLXXYPW-UZLBHIALSA-N 498.580 2.763 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871594620 QIQPCQXOVRDBMV-UHFFFAOYSA-N 491.640 2.986 10 10 JFCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871700102 FUBTYUBMNMORGN-UHFFFAOYSA-N 473.585 2.883 10 10 JFCE CC(=O)N[C@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C)c1ccccc1 9249677 YNPWJVPXJDFBJW-HSZRJFAPSA-N 497.573 2.735 10 10 JFCE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 39716372 QWYFJJCLHNGGPZ-RFRKOGIWSA-N 485.635 2.704 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](Cc1ccccc1)n1cnnn1 107981360 MCIYQIRBDRWOQQ-HXUWFJFHSA-N 460.460 2.629 10 10 JFCE CN(C)S(=O)(=O)N(Cc1cccc(C(=O)O)c1)c1cccc2c1C(=O)c1ccccc1C2=O 586233759 KQRFGCLMGOSYTN-UHFFFAOYSA-N 464.499 2.973 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21 1076136261 JDFJRVPFATXMEC-OTQUPPRASA-N 481.936 2.657 10 10 JFCE CC(=O)N[C@](C)(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccc(S(C)(=O)=O)cc1 1557062987 AEBWPCVIMLZHEG-XDHUDOTRSA-N 459.612 2.563 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864013282 UYNOQENOUJWIHK-VQTJNVASSA-N 498.967 2.982 10 10 JFCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865027288 XJLQKLHRXVVPPJ-NRFANRHFSA-N 496.951 2.858 10 10 JFCE C[C@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867259337 AGBCEJMAQBBBAU-OYHNWAKOSA-N 456.502 2.603 10 10 JFCE NC(=O)COc1cn(CCCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871117927 XBELPRKCDIOGCD-UHFFFAOYSA-N 491.592 2.790 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@@H](C)O)n4Cc3ccco3)CC2)cc1 1873596705 IWLNQVJIFKGIGC-GOSISDBHSA-N 490.564 2.518 10 10 JFCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCO)ncnc21 1875212266 SKNVPKOLVJIBAP-UHFFFAOYSA-N 466.586 2.997 10 10 JFCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@@H]1CCCO1 2313630092 IUAYKTUUTVSKPQ-SFHVURJKSA-N 451.479 2.675 10 10 JFCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314836414 FCORSENVRYVVST-LBPRGKRZSA-N 451.526 2.946 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc([N+](=O)[O-])cc4)n(C)n3)CC2)cc1 2331399687 MYDUJPGCODJPTG-UHFFFAOYSA-N 463.498 2.710 10 10 JFCE CN(C)c1ccc(/C=C\CN2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)cc1 97324156 WBSVRZTXWIOYEU-TWGQIWQCSA-N 489.620 2.593 10 10 JFCE CCOc1cc(C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 1862125214 NABWJDCFUNHTDQ-UHFFFAOYSA-N 485.581 2.970 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016368 NIYDEKCKUYDGMZ-NRFANRHFSA-N 499.527 2.803 10 10 JFCE CCCCN(C)C(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870515381 VCLQFGRWOWGDNM-UHFFFAOYSA-N 470.614 2.836 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3cccnc3)n4C)CC2)cc1 1873565475 FSIALZFKCHPTNB-UHFFFAOYSA-N 457.538 2.629 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2238891344 DHRRFLQQJMEOCR-YWTKSJFSSA-N 477.558 2.659 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314827388 CZNISPBRNISDIY-UHFFFAOYSA-N 472.573 2.655 10 10 JFCE CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 504688778 ONEXPVCGLIADDB-WCHJTNLRSA-N 497.551 2.824 10 10 JFCE biogenic COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccc(Br)cc1 1858037945 LMKUXGFEGPCAST-UHFFFAOYSA-N 454.346 2.537 10 10 JFCE CC[C@](C)(NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861989011 GYSVITVGGXHWBQ-SANMLTNESA-N 468.598 2.760 10 10 JFCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864009533 ACVYSGSBKMKIJD-QVKFZJNVSA-N 478.549 2.736 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864010687 APMYBJWJYOLTML-HXUWFJFHSA-N 484.940 2.762 10 10 JFCE CC[C@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867281641 QNXBMICOJDHYPK-NZQKXSOJSA-N 470.529 2.993 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868717126 YSUUPKMLYZRPBM-LJQANCHMSA-N 469.582 2.889 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 2297499634 QWKIODKNLSBWIL-UHFFFAOYSA-N 456.933 2.962 10 10 JFCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 15935199 GUGPHJQYSXLRKU-GQCVOSMTSA-N 470.532 2.766 10 10 JFCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)c(Br)c1 104798950 VGDXUGWPEKWSBP-LGMDPLHJSA-N 485.338 2.860 10 10 JFCE CC(=O)NCCNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586705218 VNVONYTVCJXKEA-UHFFFAOYSA-N 470.485 2.972 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)CC1 1286842453 VYEFSGALRASVJA-UHFFFAOYSA-N 477.613 2.888 10 10 JFCE O=C(NC1=S=C(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C=C1)Nc1ccccc1 1290491711 FQYMJPQWOAEQLX-UHFFFAOYSA-N 456.549 2.592 10 10 JFCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](CO)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027761 KPXPWTYRLUJVKO-HXOBKFHXSA-N 490.560 2.826 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCO)n4CC(C)C)CC2)cc1 1873578980 IVTUMXJFJHWOBU-UHFFFAOYSA-N 466.586 2.535 10 10 JFCE C[C@@H](CN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2136241224 WLKCOKHELZDNQG-HOCLYGCPSA-N 467.563 2.905 10 10 JFCE CC(C)CN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 35191098 FAVMAQDOUSMLPF-NBVRZTHBSA-N 487.651 2.686 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)c3ccco3)CC2)cc1 56943746 XADGPEATCIBZCJ-HSZRJFAPSA-N 488.544 2.564 10 10 JFCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 1083988510 UZVDOICMHZHJIC-GZTJUZNOSA-N 456.842 2.751 10 10 JFCE CC[C@@](C)(NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933088 VRZNJNNKEIILIU-RUZDIDTESA-N 455.555 2.960 10 10 JFCE NC1=C(C(=O)NCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864013616 DLHUCDUMTIATQK-NRFANRHFSA-N 484.512 2.754 10 10 JFCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1865028746 ZREGXAMOQDNCLQ-HSZRJFAPSA-N 490.560 2.821 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871489071 FAQAOQIFTSULCO-UHFFFAOYSA-N 484.004 2.550 10 10 JFCE COc1ccc(N2C(=O)C(=CNC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1 2296280432 JRZLRZUDUDTCOZ-UHFFFAOYSA-N 450.564 2.581 10 10 JFCE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2296330979 PQNDGUIJNFNJGV-SFHVURJKSA-N 466.881 2.662 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=N)N21 2297345105 RESWLEWQDHRJIW-UHFFFAOYSA-N 470.532 2.766 10 10 JFCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2314414378 XOTOETHJQRKNPZ-HZPDHXFCSA-N 486.619 2.974 10 10 JFCE CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O 8670980 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PJTHXLURIRCURD-NRFANRHFSA-N 463.538 2.803 10 10 JFCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868686844 AIRPHOQEAUVNSN-HSZRJFAPSA-N 479.577 2.815 10 10 JFCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314769061 RGRJVQJGTCEFPJ-UHFFFAOYSA-N 487.397 2.574 10 10 JFCE COc1ccc(N2CCN(C(=O)C[C@H](C)S(=O)(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 9152720 UEEHOJOWGQUXLF-INIZCTEOSA-N 489.619 2.641 10 10 JFCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989550 XSUOTHKZVBGZKM-OMJMQIJPSA-N 474.608 2.868 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)CC2)cc1 742939314 DHIMGTYKFFBUIW-UHFFFAOYSA-N 469.605 2.874 10 10 JFCE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1435578433 RBWMMNXKMFDFTM-QFIPXVFZSA-N 455.580 2.958 10 10 JFCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864007645 RAMVCOQCYWATPN-SFHVURJKSA-N 491.331 2.702 10 10 JFCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2 1864009001 XEGLIDKJHROIJE-OAQYLSRUSA-N 492.532 2.716 10 10 JFCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864010682 APKVYZSNKHPZID-PGRDOPGGSA-N 494.523 2.780 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864022719 QDCSDZWEFGFECX-CZUORRHYSA-N 496.486 2.959 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865027329 GSKJFQLLFZTWJN-HXUWFJFHSA-N 484.940 2.781 10 10 JFCE COC(=O)c1ccc(N2CCOCC2)c(NC(=O)C=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 2313785369 FSHZLVYCSONBPA-UHFFFAOYSA-N 496.520 2.707 10 10 JFCE O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCC3)ccc(NCCN3CCCC3)c21 31425374 KHPLFNDNOYWFSO-UHFFFAOYSA-N 464.566 2.889 10 10 JFCE O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)[C@H]1CC(=O)N(c2ccccc2)C1 33560223 WBIRKBJCEKDVND-FBJMNJBLSA-N 468.516 2.880 10 10 JFCE COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C 35962969 NOZCTKUARZFQOX-XMMPIXPASA-N 495.624 2.528 10 10 JFCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 35963742 RHMARWDJTJXYKU-HSZRJFAPSA-N 482.581 2.995 10 10 JFCE CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 97437078 LBKNWXPBFSRJBB-CXUHLZMHSA-N 452.517 2.866 10 10 JFCE COc1cc(N2CCC(NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1858043931 BWTRJAWOUWHTHB-UHFFFAOYSA-N 481.549 2.874 10 10 JFCE COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C)C2=O)CC1 2040498400 JHAFFCRAELBIEK-UHFFFAOYSA-N 493.614 2.861 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2053511586 ADBITXWTNSPMOT-UHFFFAOYSA-N 477.615 2.848 10 10 JFCE O=C(O)CN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2296851514 MAPAYVUDVPENOE-UHFFFAOYSA-N 457.464 2.912 10 10 JFCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)CC1 2296882565 ZYNFDNZRVKWEKX-UHFFFAOYSA-N 477.608 2.977 10 10 JFCE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33923708 FIQNEOXXLBMKHB-CPNJWEJPSA-N 496.614 2.825 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252668924 FYHVLIOHMZQAMS-HSZRJFAPSA-N 491.569 2.593 10 10 JFCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1508267508 DMWDIGHVOFUBLZ-WZONZLPQSA-N 485.652 2.818 10 10 JFCE Cc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314769047 QWLGZDHRLNIKEC-UHFFFAOYSA-N 497.598 2.779 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)O 2314931713 HTURTQMYQAUFGA-UHFFFAOYSA-N 489.487 2.613 10 10 JFCE COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C(=O)O)SC1=S 16906217 UXDXPNPCBLMFEU-XNTDXEJSSA-N 474.516 2.957 10 10 JFCE COc1ccc(N2CCN(C(=O)CC[C@@]3(c4ccc(Cl)cc4)NC(=O)NC3=O)CC2)cc1 1858174987 YYIUXZFPXGOZCA-QHCPKHFHSA-N 456.930 2.512 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4ccccc4F)c(C)[nH]3)CC2)cc1 1858546029 LZSNDHNHSNTYJE-UHFFFAOYSA-N 479.556 2.802 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861988064 BROUXGJRIXHFKK-RBBKRZOGSA-N 482.600 2.900 10 10 JFCE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016637 UKPMEQIPPZMHKJ-HXUWFJFHSA-N 477.565 2.651 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)cc4[N+](=O)[O-])n(C)n3)CC2)cc1 1869969475 NUCCELPOESDHGU-UHFFFAOYSA-N 471.905 2.964 10 10 JFCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2296543655 VOKVFAAPJDRJHG-UHFFFAOYSA-N 496.570 2.537 10 10 JFCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 2297345268 HEALPKXRQGYQIY-UHFFFAOYSA-N 486.535 2.932 10 10 JFCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 35518416 XLFKRXUDXKGYJQ-QGOAFFKASA-N 488.547 2.810 10 10 JFCE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4c(C)ccc(C)c4C)C3)CC2)cc1 1615104426 DFENDVHWMOZZTO-LEAFIULHSA-N 484.637 2.828 10 10 JFCE COc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862061020 QPDITDYBPXFAMK-JOCHJYFZSA-N 457.596 2.904 10 10 JFCE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031274 DGHPRDSMWKRPCS-MDOVXXIYSA-N 476.533 2.829 10 10 JFCE CCOCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2040499004 RXNAXHLDLRCINA-IYBDPMFKSA-N 488.635 2.936 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 2296885175 HDJMXSOMJXFYBS-UHFFFAOYSA-N 474.516 2.948 10 10 JFCE CC[C@@H](C(=O)OC(C)C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944802 DNUCTACSMWDDCN-ZDUSSCGKSA-N 462.549 2.810 10 10 JFCE COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3C[C@@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O 1083040763 OZNHPKKXULCZCP-FOIQADDNSA-N 470.430 2.742 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn4ccc(Br)cc4n3)cc2)CC1 1567591830 MRKNCEAHVSEFTI-UHFFFAOYSA-N 456.344 2.695 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864009772 DHDVUVRHAUUMNR-NRFANRHFSA-N 494.548 2.682 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1 1869009067 RFWJOFAKFZJYTN-OAQYLSRUSA-N 488.588 2.930 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873170871 UZSWVTOSZIWUNR-UHFFFAOYSA-N 475.637 2.952 10 10 JFCE CCCCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873583447 DJECCFIUZXPPJC-UHFFFAOYSA-N 479.629 2.858 10 10 JFCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)COc2ccc(N)cc2)C1 2140605500 AXPGYNMQQKSQAE-NRFANRHFSA-N 454.571 2.885 10 10 JFCE CC(C)CN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433718 QZHIORBVSOMWDF-UHFFFAOYSA-N 486.619 2.895 10 10 JFCE COc1ccc(N2CCN(C(=O)Cn3c(=S)[nH]c4c([nH]c5ccc(OC)cc54)c3=O)CC2)cc1 101497675 XMZGZXDFOBNIGI-UHFFFAOYSA-N 479.562 2.906 10 10 JFCE CCc1cccc(C)c1N1C[C@H](C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862187335 IWFVKWJHWFINRW-RBBKRZOGSA-N 492.620 2.772 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 1872677651 HPWAGCKDOGIIKL-UHFFFAOYSA-N 479.537 2.983 10 10 JFCE CCn1c(=O)c2cc(S(=O)(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)ccc2n(CC)c1=O 1891968343 RFHYFBDTOHVLMW-ICSRJNTNSA-N 482.606 2.670 10 10 JFCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297512631 YXBQPDBQVCMUBZ-UHFFFAOYSA-N 476.514 2.744 10 10 JFCE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526312673 CNVDYNHGEUGQCS-HXUWFJFHSA-N 456.451 2.942 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 585201011 YJAAYRSOZQKHDV-UHFFFAOYSA-N 460.600 2.976 10 10 JFCE CC[C@](C)(NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862129703 IQRHXRUASPRSKH-VWLOTQADSA-N 487.000 2.712 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015185 LQGAUYOADBLZMY-MRXNPFEDSA-N 490.438 2.760 10 10 JFCE COc1cc(OC)c2c(=O)cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c2c1 1866560036 XAMWLDKMBUXOAG-HSZRJFAPSA-N 461.522 2.864 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)=O)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869186664 PFIYOANBDSFOBG-UHFFFAOYSA-N 466.630 2.820 10 10 JFCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)N=C2S1 2297346331 WIYMPNYEWVVSRZ-UHFFFAOYSA-N 484.515 2.616 10 10 JFCE COc1ccc(-n2cccc2C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 2297346800 GNPMTNKMJQOTGU-UHFFFAOYSA-N 463.928 2.761 10 10 JFCE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)CC2)cc1 9678304 CWTHAGIYSDEMFC-UHFFFAOYSA-N 494.617 2.993 10 10 JFCE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 16906220 GFHPGMGAQZHEHG-XNTDXEJSSA-N 474.516 2.957 10 10 JFCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O 16909910 VWGTWGDNFIXXNE-OQLLNIDSSA-N 484.964 2.898 10 10 JFCE O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40927884 YTNFBWGRIMSLLO-NBVRZTHBSA-N 478.592 2.770 10 10 JFCE CN1CCC(C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)CC1 1860918982 UXXHSVNPJQGYKR-UHFFFAOYSA-N 463.626 2.991 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861910443 CMJGYDOCYJFKPL-QFIPXVFZSA-N 452.511 2.865 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011816 YWEGUBAKGQCVOG-PSLXWICFSA-N 486.528 2.937 10 10 JFCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCCCCO)n4C)CC2)cc1 1873567778 IZJMAJQKRNHRKV-UHFFFAOYSA-N 466.586 2.586 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2200951175 INSXWYHILZTMLU-HOTGVXAUSA-N 481.546 2.591 10 10 JFCE O=C1C(=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296848696 VKYYOLSNNYSFEO-AWEZNQCLSA-N 499.595 2.875 10 10 JFCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 2314931603 PJNLSKSHPSFANA-UHFFFAOYSA-N 473.488 2.995 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)Cn3c(=O)oc4ccccc43)c3ccco3)CC2)cc1 38598203 BYAMCOSFBTWEMZ-QFIPXVFZSA-N 476.533 2.876 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861995524 BBNCNJJEXPAOHK-FYYLOGMGSA-N 464.610 2.761 10 10 JFCE O=C1C(=Cc2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2040499223 VDNNBDIFCKDGBX-UHFFFAOYSA-N 466.588 2.933 10 10 JFCE COc1ccc(Br)c(CNCc2c(I)cnn2C)c1O 2236050670 IZNHGFVNYAPTLJ-UHFFFAOYSA-N 452.090 2.791 10 10 JFCE COc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 2297327120 DLIMWSPINQRMAS-UHFFFAOYSA-N 461.268 2.834 10 10 JFCE COc1cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O 14436187 WVRDOLPMKOCJRJ-SIKLNZKXSA-N 472.402 2.536 10 10 JFCE biogenic CCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 33417248 XUGGENRDBKMRDU-FOWTUZBSSA-N 454.581 2.923 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(OC)c3)c3ccco3)CC2)cc1 38619640 PCDGPLOMNKBJNH-HSZRJFAPSA-N 478.549 2.915 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3cc(-c4ccccc4)no3)cc2)CC1 1475194955 XPCNKFOXTWTKEZ-UHFFFAOYSA-N 454.552 2.630 10 10 JFCE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c(Cl)cccc21 1565532818 BYMISFGRUKMVOU-KILLWLNWSA-N 469.925 2.514 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(=O)n(Cc4ccc(C)cc4)c3)CC2)cc1 1862014554 RQUYVQRBFVXCDA-OAQYLSRUSA-N 488.588 2.681 10 10 JFCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864021663 FBIYRMGXXAXKBU-LJQANCHMSA-N 464.522 2.974 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCc3ccc(C)cc3)CC2)cc1 1870666539 QJFUVDCIGHIWLH-UHFFFAOYSA-N 490.604 2.594 10 10 JFCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N([C@H](CC(C)C)C(=O)O)C3=O)C2=O)cc1 2314435808 PGORYVFSXPICJC-HUUCEWRRSA-N 462.549 2.523 10 10 JFCE CCCCOC(=O)[C@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944849 QJAIBOAKVHVDSA-LBPRGKRZSA-N 462.549 2.811 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)c3)CC2)cc1 103879830 RWWCJONYWYADSM-XZUXRINTSA-N 457.530 2.969 10 10 JFCE O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cc2)CCN1 247504446 RAJHRYOQMHZKDG-JRFVFWCSSA-N 460.578 2.713 10 10 JFCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 1540992681 WKUJHRKAVNDLEB-LJQANCHMSA-N 454.619 2.809 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 1861931939 GWGAAQBFLUSWMR-OAQYLSRUSA-N 471.579 2.576 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868717125 YSUUPKMLYZRPBM-IBGZPJMESA-N 469.582 2.889 10 10 JFCE COc1ccc(Nc2nc(=NC[C@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871562244 VDIYAPXMWHOYEQ-HSZRJFAPSA-N 491.596 2.972 10 10 JFCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)O 2294093771 NSEIJCCIOKDWDJ-UHFFFAOYSA-N 489.278 2.896 10 10 JFCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 2296552157 NZPNCGIJKRUSGM-UHFFFAOYSA-N 470.595 2.809 10 10 JFCE CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C)c1ccccc1 9249676 YNPWJVPXJDFBJW-QHCPKHFHSA-N 497.573 2.735 10 10 JFCE CC(C)CN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988061 QZHIORBVSOMWDF-GHRIWEEISA-N 486.619 2.895 10 10 JFCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076221445 QYXPJYWPGHOFPM-KGPRRQHISA-N 479.508 2.533 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)[C@H](C)C1 1690835164 WNSVIDPKCWMYHO-LJQANCHMSA-N 477.613 2.934 10 10 JFCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4cccnc4)c(O)n3)CC2)cc1 1858517448 BZTYASMGWDVCMN-UHFFFAOYSA-N 465.579 2.926 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC(C)C)CC2)cc1 1861877507 BDMIXXFEPKGHBL-QHCPKHFHSA-N 471.623 2.919 10 10 JFCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CC1)[C@@H]2c1ccc(O)c(O)c1 1864017127 GARCACAQACGJAZ-LJQANCHMSA-N 462.506 2.963 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864021511 PDNQAPCLXHEHAM-OAQYLSRUSA-N 488.548 2.806 10 10 JFCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1C 2294095216 LMUBYQFNJOAYPX-UHFFFAOYSA-N 486.528 2.783 10 10 JFCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 2294095496 UCBSLJSCYRBCMV-UHFFFAOYSA-N 486.528 2.783 10 10 JFCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 15937006 MQGGJYSKXAWGIL-SKEZEETHSA-N 461.503 2.815 10 10 JFCE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1705998856 ZLGRLRDAAICWDY-GOSISDBHSA-N 495.653 2.749 10 10 JFCE CC(C)C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1)N1C(=O)c2ccccc2C1=O 1858074670 QHEWQUFMKXXXIY-RPBOFIJWSA-N 492.620 2.953 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864011625 WTRDNURMOKODCD-FQEVSTJZSA-N 464.522 2.803 10 10 JFCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013473 XCBMNWYELRWUCI-JOCHJYFZSA-N 492.576 2.715 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019201 WCLQKTKMKXEXLT-HXUWFJFHSA-N 461.522 2.994 10 10 JFCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352667 KOYLPMHJTQRACD-UHFFFAOYSA-N 482.478 2.772 10 10 JFCE CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@@H]1C 20854988 XDYVFPPYKHVYCZ-IBGZPJMESA-N 499.633 2.895 10 10 JFCE COc1ccc(N2CCN(c3nc4c(c(OCC(=O)O)n3)CN(Cc3ccccc3)CC4)CC2)cc1 73710285 BASZSWZEWZKREZ-UHFFFAOYSA-N 489.576 2.834 10 10 JFCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21 96459960 YOBDWPBBHGMSKN-SSXADKOLSA-N 460.518 2.589 10 10 JFCE CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 1565532298 RWDICRJTVGAJFP-YJGYRPNBSA-N 469.925 2.513 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)CC2)cc1 1858400858 YUHCSBCHXVLTDR-OAQYLSRUSA-N 471.623 2.980 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccn(Cc4ccc(C)cc4)c3=O)CC2)cc1 1862022989 ZOESFHWYHPRWTL-OAQYLSRUSA-N 488.588 2.681 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOC)[C@H]2c1ccc(O)c(O)c1 1864017432 MIUFPIIQRDZULT-FQEVSTJZSA-N 494.548 2.837 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865025942 GEYZOUULXCZIIX-JOCHJYFZSA-N 493.539 2.805 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1 1865595716 DIOJSWAJQMOKEB-OAQYLSRUSA-N 462.554 2.592 10 10 JFCE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866862528 HJNZWHCRGKIBTD-IRXDYDNUSA-N 481.508 2.958 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cc(Cl)cc(Cl)c4)[nH]3)CC2)cc1 1871540114 NHTXFSZVLDUEJC-UHFFFAOYSA-N 490.395 2.505 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H]5CCCO5)ncnc4n3C)CC2)cc1 1875196487 ZIJGUICKQAFGOI-IBGZPJMESA-N 450.543 2.530 10 10 JFCE O=C(O)CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)[nH]c2ccccc12 2296114371 ZOISWCAJCZNIPV-UHFFFAOYSA-N 496.589 2.651 10 10 JFCE CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 8812217 LOCRJKJTZSHPHG-XMMPIXPASA-N 480.609 2.836 10 10 JFCE Cc1nn(CCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 21029589 ZDCXEWWLSULLGD-UHFFFAOYSA-N 461.632 2.693 10 10 JFCE CN(C)c1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1 33292351 RULJTBKUOYMKLU-UHFFFAOYSA-N 469.567 2.907 10 10 JFCE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1301731826 DJNIXFJNUCLZTA-QGZVFWFLSA-N 451.550 2.959 10 10 JFCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)C1 1690779462 CNODCSDJLGXJSP-FQEVSTJZSA-N 490.612 2.653 10 10 JFCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1741018004 MYJDPBLEKLZGCA-LJQANCHMSA-N 451.550 2.898 10 10 JFCE CCc1sc(NC(=O)C(=O)NCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763867 PDSJAEIOULVBKP-UHFFFAOYSA-N 469.313 2.666 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1862126061 CLHYPUUGSRWSBQ-QFIPXVFZSA-N 471.579 2.576 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008940 VQBYZKRFKAHQDW-JOCHJYFZSA-N 478.549 2.888 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864009338 FRHXMVCIUWEGPA-NRFANRHFSA-N 469.586 2.700 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019151 HBKUYFHWLYJLKH-HXPMCKFVSA-N 484.940 2.691 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(C(C)C)C2=O)cc1 1873169385 MDZSMAYABWGBQQ-UHFFFAOYSA-N 450.583 2.894 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2200953829 TZODJQGSVZCRRJ-SJORKVTESA-N 477.558 2.825 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013834 HBWSVKIUJMCWSB-BEFAXECRSA-N 456.543 2.647 10 10 JFCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 2297458188 JNPMOGCSIZICHE-UHFFFAOYSA-N 456.505 2.723 10 10 JFCE COc1cc(/C=C2/SC(N3CCN(CCO)CC3)=NC2=O)ccc1OCc1ccccc1 20289554 BSTZOZTYGQYAIL-CJLVFECKSA-N 453.564 2.854 10 10 JFCE CCN1CCN(c2c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33387055 SAVOHPLVEHBYDZ-CPNJWEJPSA-N 471.652 2.851 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014667 ZZHDKGMADIXPET-HXUWFJFHSA-N 480.569 2.679 10 10 JFCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029864 WVWWXCDNIUDSCD-HSZRJFAPSA-N 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454.596 2.652 10 10 JFCE CCOC(=O)c1c(NC(=O)CNC(=O)CN)sc(C)c1-c1ccc(Br)cc1 1866015179 OOUQJJHKHWDLJQ-UHFFFAOYSA-N 454.346 2.676 10 10 JFCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(CCO)Cc2ccccc2)n1 1867951875 HBIKGWCBJYHGIG-UHFFFAOYSA-N 477.609 3.000 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(C)n3)CC2)cc1 1869302768 RZRHIISBNNMSGO-VWLOTQADSA-N 476.556 2.937 10 10 JFCE COc1ccc(Nc2nc(=NC[C@@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871562245 VDIYAPXMWHOYEQ-QHCPKHFHSA-N 491.596 2.972 10 10 JFCE CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 2314934059 XSLDSZRMSDTOLY-UHFFFAOYSA-N 494.572 2.643 10 10 JFCE CCOc1ccc(C=CC(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330603790 GSYXVGKFHBWBTI-UHFFFAOYSA-N 453.539 2.581 10 10 JFCE COc1ccc(N2CCN(C(=O)CCn3cnc4ccc(Br)cc4c3=O)CC2)cc1 26028604 BOACPXWPSFDMEW-UHFFFAOYSA-N 471.355 2.907 10 10 JFCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)N2CCCCC2)cc1 1858074573 MBLCRJHYMRGDDG-NRFANRHFSA-N 458.584 2.703 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4c(C)cc(OC)cc4C)C3)CC2)cc1 1858413923 WLMBWFONHBJJJW-FQEVSTJZSA-N 487.622 2.680 10 10 JFCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865030071 BTPAHEWWPSPQGC-HXUWFJFHSA-N 469.586 2.516 10 10 JFCE COCCOCC(=O)Nc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874726006 ZLUDCFQQIHCJRS-UHFFFAOYSA-N 455.555 2.692 10 10 JFCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)c1)C(=O)O 2314932025 SQHGIOQTTNJRTF-QGZVFWFLSA-N 450.582 2.852 10 10 JFCE CCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 2277160 CRTJTDGKZHOATP-CPNJWEJPSA-N 461.474 2.753 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)NCc4ccco4)n3)CC2)cc1 9650707 MTWGOKBKOBVFNU-UHFFFAOYSA-N 455.540 2.958 10 10 JFCE CCN(CC)S(=O)(=O)c1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccccc32)cc1 64979171 FTBLOMGZLSELTB-UHFFFAOYSA-N 450.538 2.657 10 10 JFCE CNS(=O)(=O)Nc1ccc(NC(=O)C2=S=C(c3ccc(OC(F)F)cc3)C=C2)cc1 1448580699 BSLAABMMLNQRHX-UHFFFAOYSA-N 453.492 2.799 10 10 JFCE CC(=O)N1CCC[C@H](Cn2c(N(C)Cc3ccccc3O)nnc2[C@@]2(OC(C)C)CCOC2)C1 1760596110 NIEMNBQUQTUZRN-NBGIEHNGSA-N 471.602 2.919 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864011619 WSOIFRJQYARGKC-LJQANCHMSA-N 452.486 2.934 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC(=O)c4[nH]c5ccc(C)cc5c4C)n(C)[nH]3)CC2)cc1 1869969468 NRWFZPOFZCAIMV-UHFFFAOYSA-N 459.554 2.923 10 10 JFCE NS(=O)(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873967348 NBHADZIWPCTINU-UHFFFAOYSA-N 499.552 2.860 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCn5ccnc5)ncnc4n3C)CC2)cc1 1875197074 PTPBGJWDKLFPTA-UHFFFAOYSA-N 474.569 2.638 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)cc1 1890488931 YHXFLSCTGYMUND-GOTSBHOMSA-N 452.580 2.587 10 10 JFCE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15040816 RZMZSROUFVSCLK-PGEKAQRJSA-N 473.370 2.725 10 10 JFCE COc1ccccc1[C@@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C 35962966 NOZCTKUARZFQOX-DEOSSOPVSA-N 495.624 2.528 10 10 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1865031525 IUHVNBQXHYNHFD-CQSZACIVSA-N 452.433 2.947 10 10 JFCE CCCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548722 HBHFKPPXSFALKA-UHFFFAOYSA-N 478.597 2.773 10 10 JFCE COc1ccc(C=C2SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc1OC 2296885083 BBDXHWPENNQFRI-UHFFFAOYSA-N 458.561 2.931 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccc(C)cc3)c3cccnc3)CC2)cc1 56896120 KPHCKRNPHCIFDM-AREMUKBSSA-N 487.604 2.695 10 10 JFCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCCC(=O)O 210449275 PKUCUORGNCMFON-YBEGLDIGSA-N 462.505 2.996 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 742947362 BVXQWVIRQAJBMN-GOSISDBHSA-N 451.571 2.762 10 10 JFCE CC(=O)c1cc(F)cc(CN2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1O 1659913958 ZYBYQHNFIBWEJM-QRQLOZEOSA-N 463.506 2.748 10 10 JFCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705590652 SFEKOKZPKXGHGU-QHCPKHFHSA-N 483.576 2.804 10 10 JFCE COCCN(CCOC)C(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344778 FRYOPIAHRVWTMV-UHFFFAOYSA-N 460.534 2.696 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)CC2)cc1 1861974896 NQLMMHKEKLDFHO-FQEVSTJZSA-N 482.600 2.900 10 10 JFCE COc1cc(OC)c2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866464148 WENMDGYENSCWQR-OAQYLSRUSA-N 461.522 2.864 10 10 JFCE O=C(CCc1c[nH]c2ccccc12)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866575238 KKYJGXMCKALKCU-HSZRJFAPSA-N 481.508 2.992 10 10 JFCE CCCNC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679258 FSHAGFOJQZELGN-UHFFFAOYSA-N 470.614 2.740 10 10 JFCE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCN(Cc2ccccc2)C1 2124169726 SFSRDTIJDPQOAI-VWLOTQADSA-N 455.555 2.926 10 10 JFCE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1 2297345926 OFEMWPUIJDLMBT-UHFFFAOYSA-N 470.532 2.895 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 742919352 GFGIWZYRBOICMU-HSZRJFAPSA-N 464.610 2.794 10 10 JFCE CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861930245 AUNDJLGHVDSQMV-HXUWFJFHSA-N 471.554 2.578 10 10 JFCE CCC[C@@H](NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861931630 DBNRPWFNBOKMLP-JOCHJYFZSA-N 455.555 2.960 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864013031 ONYMOSUFLLBVHV-OAQYLSRUSA-N 493.564 2.604 10 10 JFCE O=C(Cn1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1 2313630831 VTTOAVHDEPFYSO-KRWDZBQOSA-N 471.604 2.880 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCCC(=O)O 2314932755 PKUCUORGNCMFON-UHFFFAOYSA-N 462.505 2.996 10 10 JFCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935241 OFCKMTIZOARPGQ-GFCCVEGCSA-N 473.532 2.878 10 10 JFCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCN2CCOCC2)cc1 205963286 WOVWTIZKMHNEMN-OQKWZONESA-N 465.510 2.550 10 10 JFCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(I)c1O 1084101154 SEQYLJGKIQIRIY-NTEUORMPSA-N 492.269 2.710 10 10 JFCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 1858091968 BNHGRXSVUIDJCJ-UHFFFAOYSA-N 452.960 2.870 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864012461 ADRFXFGLRDKLSW-SZNDQCEHSA-N 496.539 2.626 10 10 JFCE CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864019983 SSBQTEOSPLUSBV-HXUWFJFHSA-N 492.532 2.581 10 10 JFCE CN(C)c1ccc([C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)c2nccn2C)cc1 1866269820 DLCMKUBDEPDZDP-NRFANRHFSA-N 478.940 2.910 10 10 JFCE CC(=O)Nc1ccc2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866438304 AXXCPNYWUAZKKS-QFIPXVFZSA-N 458.522 2.805 10 10 JFCE CCNC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870974894 WDRBHDZTWOLHNR-UHFFFAOYSA-N 477.565 2.855 10 10 JFCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873170192 QPKHBGGMAZOTJB-UHFFFAOYSA-N 478.574 2.631 10 10 JFCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 2294095506 UIJNNJXANZRWKV-UHFFFAOYSA-N 473.279 2.976 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3Cc4cc(Br)ccc4O3)cc2)CC1 1138229264 ZWATXJLUPMNHJT-OAQYLSRUSA-N 458.356 2.738 10 10 JFCE CCC[C@@H](NC(=O)c1cc(C)ccc1S(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861906460 ZUVYZAXHINLXCF-JOCHJYFZSA-N 487.622 2.654 10 10 JFCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864013459 WYZUQOKEKXUVTC-QKKBWIMNSA-N 496.539 2.626 10 10 JFCE CC[C@@](C)(NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866926062 DFTXPZDRDIYBQD-YHAMSUFESA-N 496.585 2.900 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868906460 PUADQHBIHUUWIW-GOSISDBHSA-N 479.606 3.000 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1 1868988537 SJHKLMUKJIMDCT-QGZVFWFLSA-N 488.592 2.960 10 10 JFCE CCOCCCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170304 UXYWBQVFSZCDPY-UHFFFAOYSA-N 480.609 2.522 10 10 JFCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC 2297624450 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CC1(NC(=O)OC(C)(C)C)CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2136260410 CQRHNOKJRKAWPB-HNNXBMFYSA-N 465.547 2.659 10 10 JFCE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2314400228 LLXSCAYAHOZCGP-OAHLLOKOSA-N 456.593 2.983 10 10 JFCE O=C1/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1 35179870 UVDVRCWPQHXQLE-AMGRQBIBSA-N 470.597 2.992 10 10 JFCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731400397 CDDHTANOFVAWHL-IBGZPJMESA-N 477.558 2.937 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)CC1 1556199243 GCDBYEDGFGDMAW-UHFFFAOYSA-N 459.550 2.657 10 10 JFCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)C3(COCc4ccccc4)CC3)cc2)CC1 1668581855 QWNCSYXJYAPMNS-UHFFFAOYSA-N 457.596 2.524 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4ccc(C)cc4)C3)CC2)cc1 1858407267 IOUCQZLDPGSYFL-NRFANRHFSA-N 457.596 2.504 10 10 JFCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)c1 1860842577 DKLGDDIAFQAGBF-JOCHJYFZSA-N 467.526 2.741 10 10 JFCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccnc1 1865391031 JESHCWHWHHXASQ-QFIPXVFZSA-N 474.565 2.658 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ncc4ccccn34)C(C)C)CC2)cc1 1868799651 CRCUMSVPVZBTQF-RUZDIDTESA-N 463.582 2.765 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869059259 VJOMFEUUZAOMKM-JOCHJYFZSA-N 479.968 2.829 10 10 JFCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2294093688 DZPGIJLEHXHLSI-LLVKDONJSA-N 459.252 2.967 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=N)N21 2297345523 DXQHBRUXYLAIEW-UHFFFAOYSA-N 470.374 2.526 10 10 JFCE COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 1858074376 IFBFRLMUAMXBCI-LJQANCHMSA-N 453.992 2.766 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C3)CC2)cc1 1858423868 LCTBFWNGYUCOTH-KRWDZBQOSA-N 463.987 2.708 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012449 AADLDRWSSOYXDG-OAQYLSRUSA-N 493.564 2.867 10 10 JFCE CCNC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825187 QISJINDSXKSVBT-UHFFFAOYSA-N 453.568 2.762 10 10 JFCE CCOc1ccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 2296082573 LYYRIKBASKHCNG-UHFFFAOYSA-N 477.546 2.627 10 10 JFCE COc1cccc(C=C2SC(=S)NC2=O)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2297360480 GZEPOWBMLBBVCS-UHFFFAOYSA-N 464.546 2.910 10 10 JFCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(N)=O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2314541333 JXDZLXNPXLDCTB-ZDUSSCGKSA-N 461.477 2.693 10 10 JFCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)CO5)cs3)ccc21 11857979 UJENXEAZFNBUBX-UHFFFAOYSA-N 484.559 2.875 10 10 JFCE COc1cc(OC)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)cc1OC 33513696 IKQSVDWANPKKPS-UHFFFAOYSA-N 459.458 2.536 10 10 JFCE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)C1 1865029208 IOBQHXCCSTXCQJ-UTKZUKDTSA-N 498.580 2.755 10 10 JFCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2323840310 LOXUPPBCNLOLDV-UHFFFAOYSA-N 464.590 2.882 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)C3CCN(Cc4csc(C)n4)CC3)cc2)CC1 1567592697 ZPDLIFXBNJYVJF-UHFFFAOYSA-N 455.628 2.648 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865030876 TWNUSEIKHBHRBY-NRFANRHFSA-N 483.613 2.904 10 10 JFCE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865038068 TWWOJZHZRBULLO-NRFANRHFSA-N 483.613 2.762 10 10 JFCE CC[C@](C)(NC(=O)c1cc(-c2cccnc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868982669 MZBMNHOOFZYLTI-VWLOTQADSA-N 463.538 2.993 10 10 JFCE CN(C)c1ccc(CN2C[C@H](O)C[C@@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 209354687 ORDJQUDXZOVJHW-UYAOXDASSA-N 460.531 2.557 10 10 JFCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 726621875 AMJOROOLHCZUIA-AWEZNQCLSA-N 460.487 2.973 10 10 JFCE CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 743432011 DIZDVTOQFKISRF-UHFFFAOYSA-N 494.514 2.990 10 10 JFCE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1868017060 MMGAXDIZARTMNQ-GAJHUEQPSA-N 492.576 2.779 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCn4ccnc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651681 CQZSBLVWRSFVHK-UHFFFAOYSA-N 499.623 2.801 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873169966 JRKPOUJZPHKLBN-XMMPIXPASA-N 492.620 2.665 10 10 JFCE COc1ccc(N2C(=O)N[C@@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874179974 UGKSKQLJEOGBKB-FQEVSTJZSA-N 469.453 2.924 10 10 JFCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C2=O)c1 62059872 FCAPLZRXAVMUCU-ITRAFESCSA-N 495.582 2.697 10 10 JFCE CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 1565532482 RGGHTDNUGBUOLN-AUWFBBBCSA-N 469.925 2.513 10 10 JFCE Cc1c(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C 2297057115 MKMRDUMDZQWTKD-UHFFFAOYSA-N 451.870 2.717 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 2330546514 QZSCTJNRQYFVPT-SFHVURJKSA-N 483.565 2.588 10 10 JFCE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33446196 LLXSCAYAHOZCGP-QJISPJEISA-N 456.593 2.983 10 10 JFCE COCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562662 VMMHPVBOPAXMOQ-AQTBWJFISA-N 456.593 2.784 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(CC)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252677359 YMFZCZGUBKJPEX-QHCPKHFHSA-N 493.633 2.698 10 10 JFCE CCOC(=O)C=c1sc(=Cc2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1 254401854 ZECUAWOGBFIEGX-UHFFFAOYSA-N 470.978 2.685 10 10 JFCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865035593 XIJDYTZVUXBNKP-ZSDSOXJFSA-N 491.548 2.571 10 10 JFCE COc1ccc(Cn2cc(OCCO)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870369134 KRGLVFPIRKZAJB-UHFFFAOYSA-N 479.577 2.607 10 10 JFCE CCOc1ccc(CC(=O)NC2=N[C@H](c3cc(OC)ccc3OC)CC(=O)N2)cc1OCC 20925183 AYWUKTGDFUVGRE-SFHVURJKSA-N 455.511 2.777 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4cnn(Cc5ccccc5)c(=O)c4)C3)CC2)cc1 65314205 VIEHYJSWYAXTPM-HSZRJFAPSA-N 487.604 2.865 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)C(=N)N21 96460507 NEFHOHLQTIAUMT-GKDQMJQDSA-N 488.503 2.519 10 10 JFCE O=C(O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 210409740 SRFDLHSOMYAZAN-DHDCSXOGSA-N 459.461 2.604 10 10 JFCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCCO 1084134856 FFALPMKEMQEZLG-GDNBJRDFSA-N 475.295 2.804 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4ccc(C)cc4)C3)CC2)cc1 1858407268 IOUCQZLDPGSYFL-OAQYLSRUSA-N 457.596 2.504 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865034008 MZPLJBQMYAYFKD-FQEVSTJZSA-N 494.548 2.525 10 10 JFCE COc1ccc(N2CCN(C(=O)C=Cc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 2321566796 MUCGSRNYNBFKQA-UHFFFAOYSA-N 455.580 2.842 10 10 JFCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)N=C2S1 20208478 AQMZDUVWONTUQG-QNISKULHSA-N 468.516 2.917 10 10 JFCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1O 247927199 QKOGTROLKXDJMC-DHMIZTNRSA-N 486.524 2.913 10 10 JFCE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccoc4)c(=O)n32)cc1 254746291 PHEZEUIOHGHEEX-OAQYLSRUSA-N 451.548 2.847 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861933764 NBPGFWSLQIGVHH-NRFANRHFSA-N 453.539 2.666 10 10 JFCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864017903 XYHIIRGJNIGQIO-XOBRGWDASA-N 494.548 2.572 10 10 JFCE CCC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921700 GHSPEWYANXJGBT-IERDGZPVSA-N 496.585 2.900 10 10 JFCE Cc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867896883 OYDNNVXJVBGNBC-JWQCQUIFSA-N 466.626 2.804 10 10 JFCE CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1F 731408557 QBPIVPYEMXTOCV-LJQANCHMSA-N 491.585 2.880 10 10 JFCE COc1ccc(CCC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861938685 RQNWPSWDZHDMFZ-HSZRJFAPSA-N 469.607 2.887 10 10 JFCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025611 ARVMTKOAHQWQAF-OAQYLSRUSA-N 496.951 2.858 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030518 LNRKTWBMIQISQR-JOCHJYFZSA-N 490.560 2.501 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873169068 XIKGQDARUWSHRC-UHFFFAOYSA-N 469.549 2.695 10 10 JFCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 2314541448 LYNZSGATVMABGU-ZDUSSCGKSA-N 452.554 2.794 10 10 JFCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066618 GTAKLFQFTPJSHJ-OCKHKDLRSA-N 498.586 2.754 10 10 JFCE Cc1ccc(CCN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 40325448 OMSRQEZAIFCXRC-ZCYQVOJMSA-N 497.661 2.668 10 10 JFCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 254523153 VTACMIOVQXXBGP-NRFANRHFSA-N 451.523 2.613 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 743442144 BHLBCFNXCYVUOI-UHFFFAOYSA-N 451.354 2.879 10 10 JFCE COc1ccc(N2CCN(C(=O)CC3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 1858118327 LPHYHNZHVSFURP-UHFFFAOYSA-N 457.596 2.835 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1862127003 NKUHLSGMWANZDS-HSZRJFAPSA-N 453.539 2.666 10 10 JFCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034399 VWYDNBGDCAOKPE-MRXNPFEDSA-N 495.502 2.580 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3Cc3ccccc3F)CC2)cc1 1870369302 SZDBLDIWJHZMTD-UHFFFAOYSA-N 467.541 2.738 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526078 DJAWCJZYQOLGAN-LJQANCHMSA-N 463.586 2.782 10 10 JFCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)C[C@@H](C)O1 2040498359 IIBGDNXDVUXBRS-OAGGEKHMSA-N 486.619 2.688 10 10 JFCE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 2297342105 UFBZABNKPBYCKS-UHFFFAOYSA-N 475.251 2.616 10 10 JFCE COCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33888734 YOOVMQPSTUQSLX-CLEQQJOVSA-N 482.587 2.688 10 10 JFCE CC(=O)N1CCN(C(=O)CCNCc2ccc(N3CCCCC3)c(Br)c2)CC1 1461159825 KSLPTZOLIVGXOL-UHFFFAOYSA-N 451.409 2.610 10 10 JFCE COC(=O)c1cccc(CNC(=O)c2cnc(C)nc2C2CCN(C(=O)CCN=[N+]=[N-])CC2)c1 1857517537 MLXMZFBUELNWRC-UHFFFAOYSA-N 465.514 2.908 10 10 JFCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865030757 QFXPZIWBVBXLEN-MDOVXXIYSA-N 470.570 2.987 10 10 JFCE CCOC(=O)CCCOc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870369472 BGESWCTZLQMXRA-UHFFFAOYSA-N 487.597 2.548 10 10 JFCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3ccccn3)cc1C2=O 1873856673 KDPAODFMZTYJTA-UHFFFAOYSA-N 458.426 2.638 10 10 JFCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCN1C(=O)OC(C)(C)C 2080886591 IBEWZZVMEFCDQO-HNNXBMFYSA-N 451.520 2.918 10 10 JFCE O=C(N[C@@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)O)OCc1ccccc1 2270530096 HUXZMWZXQSYTJH-AWEZNQCLSA-N 463.295 2.820 10 10 JFCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314837324 QZJXKENZBXUNAR-LBPRGKRZSA-N 452.554 2.752 10 10 JFCE COc1ccc(N2CCN([C@@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)c3ccco3)CC2)cc1 56943745 XADGPEATCIBZCJ-QHCPKHFHSA-N 488.544 2.564 10 10 JFCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 96460943 QICDQQYTFRMROR-JVDIEWMDSA-N 472.504 2.899 10 10 JFCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864012766 IWNDXXITQHRCLZ-HRAATJIYSA-N 491.548 2.621 10 10 JFCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865032132 WJCRFNQRDRZQIV-FQEVSTJZSA-N 478.549 2.814 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865374651 MYRMOUMLUSYOHK-QFIPXVFZSA-N 488.592 2.820 10 10 JFCE O=C(CCn1ccc2c(cnc3ccnn32)c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179369 APNJMLQEUKHTAP-UHFFFAOYSA-N 463.453 2.848 10 10 JFCE O=C1N[C@@]2(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CCC(=O)N2c2ccccc21 1874179713 LSZIBLAZPWRDMG-SANMLTNESA-N 451.438 2.667 10 10 JFCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297511330 BVLBBVXDSXYHPI-UHFFFAOYSA-N 469.504 2.523 10 10 JFCE COC(=O)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)o1 2326945091 FPADAIFOODPZRF-UHFFFAOYSA-N 472.500 2.659 10 10 JFCE COc1ccc(N2CCN(C(=O)c3csc(NS(=O)(=O)c4cccs4)n3)CC2)cc1 12627817 AOPQRPKKZMYGOS-UHFFFAOYSA-N 464.594 2.976 10 10 JFCE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 746424450 ALOSPXHSBZUXCD-UHFFFAOYSA-N 453.564 2.934 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)CC2)cc1 916234025 DAWCHVBPDMDGSR-VWLOTQADSA-N 481.641 2.962 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)CC1 1447706851 DWYWAZNBBZAOKR-JOCHJYFZSA-N 454.958 2.678 10 10 JFCE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705616589 CPWLESCGGMDOFK-UHFFFAOYSA-N 461.614 2.856 10 10 JFCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccccc4F)[nH]3)CC2)cc1 1858537702 YWTRMLNHYNREHU-UHFFFAOYSA-N 451.502 2.570 10 10 JFCE CCCC[C@@H](NC(=O)c1ccc(=O)n(CCC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861985708 HPULXOWPCREUJH-HSZRJFAPSA-N 468.598 2.904 10 10 JFCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012633 FQGPSLXRNBSANT-QKKBWIMNSA-N 496.539 2.626 10 10 JFCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCCCCO)[nH]1 1871559186 ZTBFCGYHDAJJFV-UHFFFAOYSA-N 491.640 2.931 10 10 JFCE O=C(CN1C(=O)SC(=Cc2ccc(N3CCOCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1 2293760658 AQTAVZBCCFNJLS-UHFFFAOYSA-N 492.601 2.908 10 10 JFCE CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2296573999 VPRVLYYDHRHPLE-UHFFFAOYSA-N 454.435 2.556 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3c(F)cccc3Cl)CC2)cc1 11796504 NLMNGTFXHHWPOQ-UHFFFAOYSA-N 469.966 2.760 10 10 JFCE COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(N2CCOCC2)cc1OC 20496454 MPOMEHGMRIHICA-UHFFFAOYSA-N 472.498 2.538 10 10 JFCE COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(O)c3Br)C2=O)cc1 1084199326 MSIJVLWAHSIHIU-NTEUORMPSA-N 461.268 2.834 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3cc(F)ccc3F)cc2)CC1 1447705123 BOTJXCYAPVNMQA-UHFFFAOYSA-N 453.493 2.964 10 10 JFCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864009773 DHDVUVRHAUUMNR-OAQYLSRUSA-N 494.548 2.682 10 10 JFCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864013142 QWKGCRFSDDLITP-NRFANRHFSA-N 496.539 2.627 10 10 JFCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2 1865029702 TZHYMPBGUOGOCC-FQEVSTJZSA-N 486.569 2.670 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865030148 DLSLVNHMMDWLSX-IIBYNOLFSA-N 484.597 2.828 10 10 JFCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865032739 JPSYSJTXUDGCGK-QFIPXVFZSA-N 490.560 2.583 10 10 JFCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCN1C(=O)CSC1=S 1865768382 LGDBMWSCZAJDMF-UHFFFAOYSA-N 453.586 2.510 10 10 JFCE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C[C@H]1C 1869294390 VBVRWUDJPXDYAO-WOJBJXKFSA-N 454.619 2.666 10 10 JFCE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4ccc(F)cc4)n(C)n3)CC2)cc1 1869970128 ZCUWATGJIBYQRK-UHFFFAOYSA-N 466.517 2.891 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cn(C[C@@H](c4ccc(O)cc4)N(C)C)c(=O)cc3O)CC2)cc1 1870120333 WNPOTQGAGPZGQH-DEOSSOPVSA-N 492.576 2.533 10 10 JFCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCO)CC2)cc1 1870693057 FLOFUTUPEWBVLM-UHFFFAOYSA-N 463.578 2.793 10 10 JFCE CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(N(C)C)cc3)cc2C[C@@H]1C 15769033 ZLAHSQVMYJVUSL-KRWDZBQOSA-N 457.596 2.920 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252676859 XSDFVFCOCZQLOY-QFIPXVFZSA-N 492.557 2.773 10 10 JFCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@H]2c1ccc(O)c(O)c1 1865031638 LFLUNOMNOGWFJO-IBGZPJMESA-N 462.506 2.535 10 10 JFCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(F)c3)CC2)cc1 1865546076 ZBDLUCOPIBKEIL-JOCHJYFZSA-N 477.540 2.920 10 10 JFCE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1866114682 XRKAKGJSVSOHST-BJKOFHAPSA-N 458.566 2.920 10 10 JFCE COc1cc(OC)c2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c2c1 1866471852 JMXBDBRLGGJJIP-QFIPXVFZSA-N 461.522 2.864 10 10 JFCE CC[C@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868798939 VRWYXOPMOYSZBT-NRFANRHFSA-N 454.571 2.749 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCCO)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871601044 HTKFQWVHYLXCMU-UHFFFAOYSA-N 477.613 2.759 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718971 SQCIYSFODWCRHF-UHFFFAOYSA-N 479.585 2.652 10 10 JFCE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2106758564 ZAUYHPGVAKFFBN-GOSISDBHSA-N 466.579 2.713 10 10 JFCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 1749842459 MHHKTQURFPTOLY-KRWDZBQOSA-N 458.582 2.657 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019149 HBKUYFHWLYJLKH-BUXKBTBVSA-N 484.940 2.691 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865033654 FORABQBBQVGMQF-CZUORRHYSA-N 496.486 2.647 10 10 JFCE CCc1nn(C)c2c1[C@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865535899 RJQKGCVDGOAGOV-QFIPXVFZSA-N 489.576 2.740 10 10 JFCE C[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866906813 CRUGCWBOQASBTG-GOSISDBHSA-N 497.551 2.985 10 10 JFCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2040515963 YMJSJYZRSPBJMO-HUUCEWRRSA-N 472.592 2.666 10 10 JFCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2296720324 POWCQYYTESIFGI-INIZCTEOSA-N 487.651 2.828 10 10 JFCE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1O 2297556083 ZMJZYYPRIRQAIW-UHFFFAOYSA-N 466.313 2.617 10 10 JFCE COc1ccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2323683643 RBLCCFARBAJLTD-UHFFFAOYSA-N 450.563 2.753 10 10 JFCE COC(=O)c1[nH]c2cccc(OC)c2c1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 9306713 PTVQQSMDHBPOTG-FYWRMAATSA-N 462.462 2.580 10 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1868932561 RPVIRCJKUSGAEB-OAHLLOKOSA-N 469.492 2.831 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168782 JMGDJEVHBSIIRF-UHFFFAOYSA-N 472.593 2.824 10 10 JFCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](Cc3cnc[nH]3)C(=O)O)C2=O)cc1 2323717040 OCWLKUGLVIYGIP-QGZVFWFLSA-N 488.591 2.554 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccc(C(C)C)cc3)CC2)cc1 11796531 VUZOZZOLHDKFGK-UHFFFAOYSA-N 489.638 2.856 10 10 JFCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cccc(C)c3C)CC2)cc1 1872635515 YLEXSRHTCQXDTG-UHFFFAOYSA-N 479.537 2.604 10 10 JFCE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200952366 IEHWCHMQMUDRNK-KRWDZBQOSA-N 479.574 2.859 10 10 JFCE COc1cc(C=C2NC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(N)=O 2297459418 OYZYMILYNAIHEE-UHFFFAOYSA-N 476.352 2.580 10 10 JFCE COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1nccs1 28296008 RDEKAMCMVNTHQX-ZROIWOOFSA-N 479.561 2.845 10 10 JFCE COC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc(C)c1-c1ccc(C)c(C)c1 1860760964 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2296557146 MJVICNSRPTWBMP-UHFFFAOYSA-N 464.522 2.760 10 10 JFCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 2313557571 GOYKQTWLIJOKGH-UHFFFAOYSA-N 450.176 2.868 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)CSc3nccn3-c3cccc(OC)c3)CC2)cc1 742927073 HFYNXAKHSFWXDB-UHFFFAOYSA-N 481.622 2.920 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccn4ncc(Br)c34)cc2)CC1 1567591229 BFRMAZYRDBXXQS-UHFFFAOYSA-N 456.344 2.695 10 10 JFCE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1749826132 PEZQQSDFHRXREF-UHFFFAOYSA-N 458.582 2.658 10 10 JFCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864007899 XHWNDDTVEOIHHR-QFIPXVFZSA-N 469.501 2.998 10 10 JFCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865026539 PAPCNERKOKBZCB-OAQYLSRUSA-N 498.967 2.840 10 10 JFCE O=C(O)CCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2040470033 BIISLFOSEBJGPF-UHFFFAOYSA-N 458.565 2.751 10 10 JFCE CC(C)COC(=O)[C@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944852 QVRGIHHZVWPZJW-LBPRGKRZSA-N 462.549 2.667 10 10 JFCE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cc(=O)[nH]c3ccccc23)C1=O 33681519 YMFCQTZOGDGIRL-MFOYZWKCSA-N 481.511 2.538 10 10 JFCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38619734 GDEBXIROMBJRQB-JOCHJYFZSA-N 493.520 2.815 10 10 JFCE CC(=O)N[C@@](C)(C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 1142844740 YAHYRUSJJYPNSK-XMMPIXPASA-N 457.596 2.748 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1 1858411850 QASPWAUBZATRBS-QFIPXVFZSA-N 471.623 2.628 10 10 JFCE CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc(C)c1-c1ccc(Br)cc1 1860758508 LAWRYCKKUNLDPM-UHFFFAOYSA-N 455.330 2.710 10 10 JFCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864013370 AJFNJUPVNDOKAC-OAQYLSRUSA-N 483.613 2.954 10 10 JFCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865035522 WCAMEIFHLDKNMP-NRFANRHFSA-N 496.539 2.580 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCCn4ccnc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871484275 MNZLSYTXFNNVAH-UHFFFAOYSA-N 499.623 2.801 10 10 JFCE O=C(O)CCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296848582 HUYVPMGUQRKVAS-UHFFFAOYSA-N 492.582 2.933 10 10 JFCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348228 VYJZAOJPNACUGI-UHFFFAOYSA-N 489.491 2.875 10 10 JFCE COCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 33606577 ZNHAFMWABUTMHD-UHFFFAOYSA-N 482.514 2.857 10 10 JFCE COc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)c(OC)c1 1084497029 IZDHEKBBMKFBJD-XFFZJAGNSA-N 484.271 2.733 10 10 JFCE O=C(CCN1C(=O)CSC1=S)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1865766328 WHABWUBDNMJYDC-KRWDZBQOSA-N 466.581 2.707 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cn(-c4cc(OC)cc(OC)c4)c(=O)cc3O)CC2)cc1 1870131165 ZWPRHIVGIIAIRF-UHFFFAOYSA-N 465.506 2.531 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccco3)C2=O)cc1 1873169515 CLHWFBVDFKIDQD-UHFFFAOYSA-N 474.561 2.889 10 10 JFCE O=C(O)COc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 2314926684 PHCQMUGDMDPTSB-UHFFFAOYSA-N 459.457 2.952 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 16906507 XBWJAHJEWLUCFK-MHWRWJLKSA-N 464.546 2.553 10 10 JFCE CN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1 33924247 ADBITXWTNSPMOT-XDJHFCHBSA-N 477.615 2.848 10 10 JFCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 35520233 PDIVGVMGIGIREW-GDNBJRDFSA-N 452.535 2.660 10 10 JFCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 39716373 QWYFJJCLHNGGPZ-IQGJIOQQSA-N 485.635 2.704 10 10 JFCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 205621946 FAXOFYIOZKPTKG-LTGZKZEYSA-N 466.632 2.978 10 10 JFCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252666281 AZEWREFMJXWLIF-QFIPXVFZSA-N 463.559 2.570 10 10 JFCE C[C@H](C(=O)Nc1ccc(N)cc1)n1cnc(I)c1I 311542725 JLVWRYQIBJLAGZ-SSDOTTSWSA-N 482.063 2.874 10 10 JFCE COc1ccc(-c2noc(CCC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)n2)cc1 742919684 CJQCQYHZTSHXKW-UHFFFAOYSA-N 465.554 2.625 10 10 JFCE Cc1c(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c(O)nc(=O)n1C 904907664 CCONCKCJAQDUBV-XFXZXTDPSA-N 475.577 2.740 10 10 JFCE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015184 LQGAUYOADBLZMY-INIZCTEOSA-N 490.438 2.760 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865027544 JLMRZSDGAUMNSD-KXNSMUHISA-N 490.560 2.981 10 10 JFCE COc1ccc(N2CCN(c3nc(=NCCNC(C)=O)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871524521 KNKZPIWGOFMFLJ-UHFFFAOYSA-N 497.003 2.574 10 10 JFCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873170400 YBDSMIRSFCQTPH-UHFFFAOYSA-N 494.636 2.913 10 10 JFCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)o1 2297348177 PJXWMTHGPHPTGL-UHFFFAOYSA-N 459.465 2.784 10 10 JFCE Cn1ccnc1[C@H](NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)c1ccccc1 9338122 QNEGJDQTCBUNAI-XMMPIXPASA-N 494.507 2.840 10 10 JFCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 101346725 YXBQPDBQVCMUBZ-LTGZKZEYSA-N 476.514 2.744 10 10 JFCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S 210755158 FRCNMEIZTFGQPK-LFIBNONCSA-N 452.554 2.840 10 10 JFCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030455 KAPMKVVRYAYZOV-UZLBHIALSA-N 470.570 2.581 10 10 JFCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@@H]2c1ccc(O)c(O)c1 1865033623 FEQHDWNGFWOAMN-MRXNPFEDSA-N 496.486 2.647 10 10 JFCE CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874020120 YRJWECIGRZNYHV-UHFFFAOYSA-N 487.493 2.792 10 10 JFCE CCOCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040498038 AMHZYVSXZDCRAW-UHFFFAOYSA-N 476.649 2.876 10 10 JFCE COc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1OCC(=O)O 2314934256 YTPQCDCHAQTQOG-UHFFFAOYSA-N 450.538 2.971 10 10 JFCE COCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 33916458 GDWKQCSOCFVBFD-GHRIWEEISA-N 484.607 2.549 10 10 JFCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c([N+](=O)[O-])c1 96475787 STKKNUAZIULSOK-HOMCDIFHSA-N 489.491 2.875 10 10 JFCE Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 206928904 CZLOGFIUXXCIFC-ZHZULCJRSA-N 497.598 2.779 10 10 JFCE CCOC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918031948 BBVDKKPTHGPQKC-SFHVURJKSA-N 454.527 2.652 10 10 JFCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5ccccc5)CC4)ncn3)CC2)cc1 1858247614 SPBDFMJTNAWZSP-UHFFFAOYSA-N 458.566 2.774 10 10 JFCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007698 SFDZAIZQSXDRIX-JOCHJYFZSA-N 494.548 2.838 10 10 JFCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012731 HXVWMIUGMTVIMF-QFIPXVFZSA-N 492.576 2.797 10 10 JFCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864019317 IPEFOBXSWIDVMG-OAQYLSRUSA-N 478.549 2.900 10 10 JFCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873170120 ONZVXDAYTLBVHR-UHFFFAOYSA-N 480.609 2.522 10 10 JFCE O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1ccc(N3CCCC3)cc1)CC2 14539409 XTEWPRCBNNMJTQ-UHFFFAOYSA-N 459.594 2.964 10 10 JFCE COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(C(=O)O)c1OC 16906313 FXAKAOWTMZBNML-RVDMUPIBSA-N 458.517 2.877 10 10 JFCE COc1ccc(-n2cccc2/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 96462703 GNPMTNKMJQOTGU-UVWQWMPESA-N 463.928 2.761 10 10 JFCE COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526314236 WTCMSDQUBQASLC-NRFANRHFSA-N 468.487 2.811 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CC4(CCC4)c4c(F)cccc43)CC2)cc1 726294820 BUGITYIKXTZJIA-UHFFFAOYSA-N 466.557 2.541 10 10 JFCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1508267501 DMWDIGHVOFUBLZ-MBSDFSHPSA-N 485.652 2.818 10 10 JFCE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)CC1 1741023514 QKPPQWIXIBMMJH-UHFFFAOYSA-N 481.645 2.911 10 10 JFCE CC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861883257 QQPDUCPQRSWHDK-VWLOTQADSA-N 492.620 2.791 10 10 JFCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018305 HYCYEBGQUVFXFY-OAQYLSRUSA-N 496.539 2.891 10 10 JFCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871642767 UPTDHCPBLAJYTA-LJQANCHMSA-N 491.640 2.884 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873166248 IQFKZDPBBIKFNJ-DEOSSOPVSA-N 492.620 2.665 10 10 JFCE CCCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548634 CZTKJBKBECAOFZ-UHFFFAOYSA-N 477.613 2.564 10 10 JFCE Cc1nn(-c2ccccc2)c(O)c1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O 33775045 HVBMKUXEDFUYIH-GZTJUZNOSA-N 486.269 2.952 10 10 JFCE Nc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1858628198 SLWRAIVPDUKRJA-UHFFFAOYSA-N 490.541 2.583 10 10 JFCE CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1860355235 XFBXVYKFWZNGFB-KOSHJBKYSA-N 479.581 2.927 10 10 JFCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032434 CHKDQNKOFLZFDM-IBGZPJMESA-N 484.940 2.645 10 10 JFCE CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870423573 CKDZJQRXNPRZKQ-UHFFFAOYSA-N 457.571 2.777 10 10 JFCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873164044 JIZBYVSEUCJXKO-UHFFFAOYSA-N 485.588 2.691 10 10 JFCE Cc1c(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C 2296441613 TXJYRYMOLHFMTL-UHFFFAOYSA-N 451.870 2.717 10 10 JFCE COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 6405182 BIKZKMUULMDJBS-RCCKNPSSSA-N 467.547 2.679 10 10 JFCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)N3CCCC3)CC2)cc1 9611891 CJNZIEWZOVKSCK-XMSQKQJNSA-N 456.612 2.747 10 10 JFCE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 20331834 HKFGQJJRLASSNT-XDHOZWIPSA-N 473.514 2.754 10 10 JFCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1cccs1 96459698 SANGMCKDCQOXRK-GEVAWUEVSA-N 490.544 2.597 10 10 JFCE O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 104067533 TXTIPOFPHJUMCH-KZNAEPCWSA-N 465.303 2.851 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 743432149 HAEVZNKGTMCXEL-UHFFFAOYSA-N 451.354 2.879 10 10 JFCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 1567592630 XTRBGPKQKYFTNF-UHFFFAOYSA-N 451.527 2.794 10 10 JFCE CC[C@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862114713 FJPHJWCSJHDOKQ-VWLOTQADSA-N 453.539 2.868 10 10 JFCE CC[C@H](NC(=O)/C=C/c1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862238620 FWGISSXRZOVFHS-APYIBEOOSA-N 467.566 2.969 10 10 JFCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864015407 QLZRYRAELSDCCJ-CQSZACIVSA-N 480.468 2.965 10 10 JFCE CC[C@](C)(NC(=O)CCc1ncc2ccccn12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868802068 NIUNHGZFZCUDCZ-SANMLTNESA-N 463.582 2.909 10 10 JFCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c(OC)c1 2294474252 MWDQQTFRYNGWEN-ZDUSSCGKSA-N 463.446 2.971 10 10 JFCE Cc1ccc(CCN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 40325442 OMSRQEZAIFCXRC-ILBGXUMGSA-N 497.661 2.668 10 10 JFCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C=O)c2)[C@H]2CCS(=O)(=O)C2)cc1 256038662 QUWGXBMFWSSVQP-ZEQRLZLVSA-N 474.623 2.774 10 10 JFCE C/C(=C/CO[P@](=O)(O)OP(=O)(O)O)CC/C=C(/C)COC(=O)C(=[N+]=N)C(F)(F)F 725418703 QUPBRCITQULGAB-YXSNPGODSA-O 467.250 2.671 10 10 JFCE Cc1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 729928122 YWTNWDHMLLMUPB-UHFFFAOYSA-N 464.474 2.769 10 10 JFCE COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc(C)c1-c1ccc(C)cc1 1860760886 GWGFILLWHBZBLJ-UHFFFAOYSA-N 459.568 2.596 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 1862072008 FBHSYEBAVQDUJT-QHCPKHFHSA-N 464.591 2.969 10 10 JFCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccc(O)c(O)c1 1864010124 PUPMNNSLQYHJIV-NRFANRHFSA-N 478.505 2.752 10 10 JFCE COc1ccc(N2CCN(C(=O)c3nn(C)c(NC(=O)c4ccccc4OC)c3F)CC2)cc1 1871337353 XDPDWSTYYLCNBX-UHFFFAOYSA-N 467.501 2.791 10 10 JFCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 2297345760 ZINXXQDHBXQAQK-UHFFFAOYSA-N 458.477 2.510 10 10 JFCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314400465 NAHBJVXMSIQIBO-UHFFFAOYSA-N 497.646 2.848 10 10 JFCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248259600 VUFGWMIIVSRNEZ-JLFWUPFSSA-N 491.544 2.994 10 10 JFCE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1705956671 VIFNDCQCICCUPL-UHFFFAOYSA-N 472.609 2.948 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cnccn3)CC2)cc1 1862038817 BOFXKEDTPWCLLF-XMMPIXPASA-N 491.617 2.866 10 10 JFCE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864010817 XDBQPVXXCQBVMQ-OAQYLSRUSA-N 471.602 2.801 10 10 JFCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864012219 USQINFIGWWJPKG-QFIPXVFZSA-N 496.539 2.764 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864018091 CHZAMUNITURZCY-HXUWFJFHSA-N 478.505 2.616 10 10 JFCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033213 UUQIYNNOHADALI-OAQYLSRUSA-N 492.532 2.562 10 10 JFCE CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OS(C)(=O)=O 2297344969 BUKNLDZWLOQKCJ-UHFFFAOYSA-N 454.555 2.753 10 10 JFCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 634808 JFADYMUYDJHENV-IAFWPLRWSA-N 486.546 2.610 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 20604411 ZWYFEVHFZRNTHA-UHFFFAOYSA-N 459.612 2.875 10 10 JFCE Nc1ccc2c(NCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)c3ccc(N)cc3nc2c1 34704431 YWYQMAHVCTUSQN-PQNGQFLHSA-N 493.637 2.806 10 10 JFCE in-vitro COc1ccc(N2CCN(C(=O)c3cn(CCc4ccc(F)cc4)c(=O)cc3O)CC2)cc1 1870120500 ZFJUYDNJOIAQLB-UHFFFAOYSA-N 451.498 2.907 10 10 JFCE CCN(C(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885172 HCEOBNGLOVHOTG-HNNXBMFYSA-N 473.041 2.967 10 10 JFCE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)cc1 2314931980 SCAXAJJAUHMRDL-UHFFFAOYSA-N 478.573 2.943 10 10 JFCE COc1ccc(C=CC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2328514750 ROGCVJMGDMWNMM-QHCPKHFHSA-N 467.591 2.967 10 10 JFCE CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C(C)C)cc2C[C@@H]1C 9118224 OIHMXOIIDNFQEI-BXKMTCNYSA-N 486.638 2.669 10 10 JFCE COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3cccnc3)CC2)cc1 64947386 XLYOBLIAAPNMQE-UHFFFAOYSA-N 472.592 2.593 10 10 JFCE Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206936165 QWLGZDHRLNIKEC-ZHZULCJRSA-N 497.598 2.779 10 10 JFCE CCN(CC)c1ccc([C@H]2N=c3ccc(Br)cc3=C3C(=O)N=C(SC)NN32)cc1 588225078 MSJBGTCDTPUYQX-IBGZPJMESA-N 472.412 2.801 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865035169 MZMCVICYSRTTDB-HXUWFJFHSA-N 462.506 2.997 10 10 JFCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 2294229465 WZWHHSADKULTIG-GFCCVEGCSA-N 458.467 2.908 10 10 JFCE NC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2297620188 WUQLWJQEBASFFN-UHFFFAOYSA-N 467.279 2.556 10 10 JFCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 2313557733 KRJDOMDLSBJNSQ-UHFFFAOYSA-N 462.817 2.706 10 10 JFCE CN(C)c1ccc(CNS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)cc1 9274327 MQKFWZSBCGZMOI-UHFFFAOYSA-N 468.510 2.561 10 10 JFCE COc1ccc(N2CCN(CCNC(=O)NCc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 742939151 AQUAQTINJWUWNT-UHFFFAOYSA-N 460.962 2.741 10 10 JFCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861988062 BROUXGJRIXHFKK-IFMALSPDSA-N 482.600 2.900 10 10 JFCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011283 FPLTZAWRYKBWTH-OAQYLSRUSA-N 497.983 2.677 10 10 JFCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019198 HTKCMRMCYZQGTH-NRFANRHFSA-N 478.549 2.671 10 10 JFCE COc1ccc(N2CCN(c3cc(N4CCN(CCO)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867945968 DWVWUGFQQRECMA-UHFFFAOYSA-N 488.636 2.517 10 10 JFCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313683331 XPTIXSBGSHAOQJ-UHFFFAOYSA-N 495.488 2.920 10 10 JFCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1 33916677 SERQEZXFFZNOQD-XMHGGMMESA-N 494.598 2.941 10 10 JFCE CCOc1ccc(/C=C/C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862159554 GSYXVGKFHBWBTI-WUXMJOGZSA-N 453.539 2.581 10 10 JFCE COC(=O)c1ccc(/C=C/C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862260780 SRWWEWWQCQEPDP-VGOFMYFVSA-N 465.550 2.739 10 10 JFCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864020731 GBBBACBYTCBOFG-LJQANCHMSA-N 458.559 2.894 10 10 JFCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865027602 JSSWSASPMYDLSP-FDDCHVKYSA-N 490.560 2.577 10 10 JFCE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865035429 TWTQNZAZXWZCCG-HXUWFJFHSA-N 486.569 2.763 10 10 JFCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865035619 XRONFBAPWITRHL-OAQYLSRUSA-N 478.549 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