smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br 854962 WAONMNLMUJUFDC-UHFFFAOYSA-N 400.206 2.646 0 50 HFAA CCOc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 4435204 BPLQQECAZCKOIZ-YADHBBJMSA-N 424.497 2.783 0 50 HFAA CSCC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 4903020 QBEMGDFNCGVUTQ-NAVNFMRLSA-N 416.474 2.919 0 50 HFAA Cc1nonc1CC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 11662060 MTLGDRNTLPPLMM-CQSZACIVSA-N 406.433 2.534 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)C1CC1 11767148 OEXBFQCNPFFRDF-UHFFFAOYSA-N 410.474 2.757 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cc(C)n(C)n1 14965633 RSGOEFIYSCUBRZ-UHFFFAOYSA-N 402.514 2.868 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2cccc(OC)c2)c1=O 15004786 YHERMHBPASCAAR-UHFFFAOYSA-N 411.502 2.694 0 50 HFAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccccc2)CC1 20295069 KLORUTMRQITOPT-UHFFFAOYSA-N 413.477 2.780 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1O 72437758 RLOLMTKKOFWBKT-SFTDATJTSA-N 422.591 2.771 0 50 HFAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 77428127 IWHNCKMRSHDKQC-HXUWFJFHSA-N 414.527 2.685 0 50 HFAA COCC1(NC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CCCC1 82137360 ZTHWPGHFSRRDKN-OAQYLSRUSA-N 414.594 2.833 0 50 HFAA C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 253416772 XBPFHFNZTZAGLM-QIUTTXHRSA-N 404.463 2.984 0 50 HFAA NC(=O)c1ccccc1NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263616370 IIBMECQDPKNBFB-UHFFFAOYSA-N 418.501 2.562 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1 827847713 GDTLGBHHYVFPCC-UHFFFAOYSA-N 417.506 2.951 0 50 HFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)C[C@H]1C(=O)NCCN1C(C)C 952982865 SFVRHQLEUMEXAG-IBGZPJMESA-N 400.523 2.661 0 50 HFAA Cc1ccccc1CC(=O)NC[C@@H]1CCCN(C(=O)CCc2csc(N)n2)C1 952983332 UGCHHPGYHFYSAG-INIZCTEOSA-N 400.548 2.564 0 50 HFAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(CCO)Cc2ncc[nH]2)cc1 1704308404 QIKZSXKSNPKGKK-UHFFFAOYSA-N 417.469 2.906 0 50 HFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1O 1704333673 CQOILQABBUODLM-UYAOXDASSA-N 405.397 2.888 0 50 HFAA CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2C(=O)CCn1cnc2ccccc21 1704337785 ZLGQHWQWIYWRNL-WVBUVRCRSA-N 423.542 2.621 0 50 HFAA CC(C)NC(=O)c1cc2c(s1)C1(CCN(C(=O)[C@]3(C)CCCNC3)CC1)OCC2 1857690697 PCCOBAMPASNUSR-OAQYLSRUSA-N 419.591 2.666 0 50 HFAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCn4cc(Cl)cn4)CC3=O)sc2c1 1857712268 NRBRVIBWDRLQFH-LBPRGKRZSA-N 403.895 2.624 0 50 HFAA CSc1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857736440 PGHNCLOLPSJFKJ-SQNIBIBYSA-N 400.548 2.765 0 50 HFAA O=C(NS(=O)(=O)Cc1ccon1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2325740418 PABFHMZYFSZHBO-UHFFFAOYSA-N 410.411 2.651 0 50 HFAA CSCCNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826424 ARLQOOMDQGNYNF-IBGZPJMESA-N 409.515 2.682 0 50 HFAA O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)c1cnn2ccc(Cl)c(F)c12 2325861884 BKJQRYCLPDQRIE-UHFFFAOYSA-N 424.841 2.525 0 50 HFAA O=C(CCc1nc(O)n[nH]1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 2356147151 KCYWWCYBCVBGTJ-UHFFFAOYSA-N 400.870 2.893 0 50 HFAA COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 2501045 ULVRLJJCMSBSRA-UHFFFAOYSA-N 411.321 2.969 0 50 HFAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCN2CCC[C@H]2C1 2771122 AXLNGJKWOCQWFB-LBPRGKRZSA-N 405.380 2.928 0 50 HFAA COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC 2854714 RYKIBQFGLQKCSB-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA CCOC(=O)c1c(C)n(C[C@@H](O)CN(C)C)c2cc(Br)c(OC)cc12 2941343 VQLRVXZDJJOJTH-LBPRGKRZSA-N 413.312 2.820 0 50 HFAA CCOc1c(I)cc(/C=C2\SC(=N)NC2=O)cc1OC 5092671 ALONPGYLFAZNCR-POHAHGRESA-N 404.229 2.837 0 50 HFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 12029914 OXQXUHDWIAAXSE-IBGZPJMESA-N 401.526 2.550 0 50 HFAA CCOC(=O)c1c(NC(=O)CN(C)Cc2c(C)nn(C)c2C)sc2c1CCC2 14192452 CXRUPTQKKYTAGK-UHFFFAOYSA-N 404.536 2.834 0 50 HFAA CCn1nc(C)c(CN2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C 14969058 BKTMITNMUDLVPR-GOSISDBHSA-N 420.579 2.719 0 50 HFAA CCOC(=O)c1cnn(-c2cccc(F)c2)c1CN1CCC[C@@H](c2nncn2C)C1 20119334 GIMIFIZJQRJCIU-OAHLLOKOSA-N 412.469 2.696 0 50 HFAA O=S1(=O)Cc2ccc(cc2)CS(=O)(=O)Cc2cc(Br)cc(c2)C1 25693012 RJJRRGWKFUTNSP-UHFFFAOYSA-N 415.330 2.993 0 50 HFAA O=S(=O)(c1ccccc1)n1c(I)cc2c(Cl)ncnc21 72193724 PEVCDMDOTQHPPL-UHFFFAOYSA-N 419.631 2.926 0 50 HFAA in-vitro Cc1c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)cnc2ccnn12 95503919 CRHBPUUWBWAHRS-UHFFFAOYSA-N 403.486 2.693 0 50 HFAA COc1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1OC 169779259 GGCVMAKLINLBNA-UHFFFAOYSA-N 410.396 2.783 0 50 HFAA CCOC(=O)c1sc2nc(C)nc(N3CCC(c4n[nH]c(=O)o4)CC3)c2c1C 225813314 HBGPNQASSXBQFG-UHFFFAOYSA-N 403.464 2.545 0 50 HFAA COC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(F)c2)n1)c1ccc2c(c1)CCO2 470112213 LVJICDQBWAPDCM-HXUWFJFHSA-N 409.417 2.899 0 50 HFAA COc1cccc2c1C1(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC1)OCC2 1704330650 ZDYPEVYFQJQZCV-SFHVURJKSA-N 410.518 2.515 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CC2=CCCCC2)c1C 1857695145 WDRGCWLRGXDWMV-PMACEKPBSA-N 412.534 2.795 0 50 HFAA O=C(c1cc2c(nc1O)CCCC2)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857725206 MVQZOVGIQBVXJR-REHUZNOOSA-N 419.481 2.581 0 50 HFAA CNc1cncc(C(=O)N2CC[C@@]3(CCCCN(C(=O)c4n[nH]c(C)c4C)C3)C2)c1 1875322006 FMLKNZLLNMKZBN-JOCHJYFZSA-N 410.522 2.622 0 50 HFAA O=C1C[C@@H](Cc2ccc(C(=O)Nc3ccc4nc(O)n(C5CC5)c4c3)cc2)C(=O)N1 1875328228 GWYBBUFGOLDUPK-CQSZACIVSA-N 404.426 2.534 0 50 HFAA C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)Nc1cnn2cccnc12 2325818681 RLIMEKAYQFPCLF-BETUJISGSA-N 419.532 2.995 0 50 HFAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 2325875666 ZGYFWMPXYGRURI-GOSISDBHSA-N 408.289 2.813 0 50 HFAA COc1ccc(-c2onc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c2C(=O)O)cc1 2356154374 SUVKSMFYNRUVHW-DZGCQCFKSA-N 407.426 2.834 0 50 HFAA Cc1cc(C)cc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)c1 875754 ACTOGJPTMWBHCV-IBGZPJMESA-N 402.516 2.794 0 50 HFAA COc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc(OC)c1OC 4968212 JRLZWLKOMJRKAH-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CN(C)Cc2nccn2CC)cc1OC 11819916 LHHXGCVVLCDULD-LJQANCHMSA-N 404.555 2.625 0 50 HFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 12244331 VUVZBTOPFWLSMZ-UHFFFAOYSA-N 409.921 2.849 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1csc(SC)n1)C2 14536354 FPXZVMWXKWPWNS-UHFFFAOYSA-N 405.549 2.516 0 50 HFAA CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cs1 14968467 UVAUOROXPGOOAX-MRXNPFEDSA-N 402.520 2.959 0 50 HFAA COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@@H](O)CN1CCSCC1 15070678 ABZYDPZFFPYBQF-FQEVSTJZSA-N 417.575 2.511 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 15671246 WWBMSRGOYTYIHP-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ncc(Br)cc1OC 38530312 FARCOZLSLVYHLJ-VXGBXAGGSA-N 415.284 2.976 0 50 HFAA in-vitro COCCn1c(CN(C)[C@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC1CC1 55182952 IGWCKBYKRHUMQY-MRXNPFEDSA-N 421.563 2.915 0 50 HFAA Cc1ccccc1[C@H](C)CC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 170593260 QYVZNUQEOWGAQH-DENIHFKCSA-N 423.561 2.562 0 50 HFAA O=C(CN[C@]1(CO)CCCc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 225648878 DLCXMHNXOTUKBT-OFVILXPXSA-N 422.525 2.935 0 50 HFAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 252513908 ARFBMCCHJDKFLG-XAUMDUMWSA-N 416.518 2.768 0 50 HFAA CC[C@@H](NC(=O)CCc1nc(-c2ccccc2OC)no1)c1cn2cccnc2n1 426633876 KWOSDZBCKBPWAQ-OAHLLOKOSA-N 406.446 2.988 0 50 HFAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 768999602 NTFFBCNNSTZPEX-NVXWUHKLSA-N 420.465 2.895 0 50 HFAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(OCC(=O)N2CCOCC2)cc1 952972670 LHKLTMVDOBJCBW-UHFFFAOYSA-N 423.513 2.772 0 50 HFAA Cc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857678996 PLFIUSIPGLTOAZ-QFIPXVFZSA-N 413.493 2.800 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 1875371850 NITSWDYDMIAHFV-WBVHZDCISA-N 412.408 2.910 0 50 HFAA CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(CC1)CN(C)C(=O)O2 2325819051 PLKACZSYUIEVJK-QGZVFWFLSA-N 421.925 2.928 0 50 HFAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2nc3ccccc3s2)C1=O 2356152073 PUGWVCUKDQJZTI-NRFANRHFSA-N 401.532 2.859 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 792011 TWZMMYWXZFCDPX-UHFFFAOYSA-N 420.462 2.636 0 50 HFAA O=C(Cc1c(F)ccc(F)c1F)NC[C@@H]1CCC2(CCN(C(=O)C3CC3)CC2)O1 11787725 JYKZFKWZGPSPHQ-AWEZNQCLSA-N 410.436 2.713 0 50 HFAA CCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)CCOc4ccccc4)CC[C@@H]32)n(C)n1 12042231 MOKROHPLXLIHNG-NQIIRXRSSA-N 424.545 2.905 0 50 HFAA O=C(C1CCN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCCC1 14949918 UUUILGXEHYNLSE-UHFFFAOYSA-N 413.562 2.757 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 39362825 CLOBPOTUNMFWHZ-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA COc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1OC 169765596 XDSNDTFSWXSVNW-UHFFFAOYSA-N 421.497 2.922 0 50 HFAA C[C@H]1Oc2c(cccc2C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)NC1=O 170621576 HGSSTRGNLQQMIM-OAHLLOKOSA-N 409.442 2.753 0 50 HFAA C[C@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)C[C@@H](C)O1 229704663 NGBXHMFHNRAGED-BIENJYKASA-N 401.894 2.969 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2CCCN21 245242264 SSLMCJSQHOSGLP-IZZGNVEXSA-N 415.493 2.989 0 50 HFAA CCCN(CCc1cccc(F)c1)C(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 733233341 RWZZUBOJDCTZEN-UHFFFAOYSA-N 411.477 2.804 0 50 HFAA Cc1cc(N2CCN(C(=O)[C@H]3CC(C(C)C)=NO3)CC2)nc(-c2ccccc2O)n1 952971236 GBLKOKTWWWWJTL-LJQANCHMSA-N 409.490 2.607 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)C2(CCCC2)O1 952983680 QKDFZGJVFCQWOG-FQEVSTJZSA-N 410.514 2.686 0 50 HFAA COc1ccnc(CN2CCC(CNC(=O)c3cc(C(C)C)no3)CC2)c1OC 1506402800 LPKCMEORGGARQM-UHFFFAOYSA-N 402.495 2.852 0 50 HFAA COc1cccc2c1OCC(CN1C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C1)=C2 1857739790 SNVBGINQXJXUTO-GMAHTHKFSA-N 420.509 2.973 0 50 HFAA CN1CCC[C@@H](C(=O)NCc2ccnc(CNC(=O)c3ccc(F)cc3Cl)c2)C1 2100537072 HPSHNPDNLUSYAW-OAHLLOKOSA-N 418.900 2.762 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 784618 MWTQSMIPRKXFTL-MRXNPFEDSA-N 416.499 2.806 0 50 HFAA CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O 1056868 UZPOPOBRMWKGRB-IBGZPJMESA-N 405.454 2.936 0 50 HFAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C 12098427 LVMVYSJLDXJUOG-UHFFFAOYSA-N 408.506 2.718 0 50 HFAA COc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)ccc2nsnc12 12462661 FUFJEJAQKMLZST-UHFFFAOYSA-N 413.488 2.715 0 50 HFAA COC(=O)C1CCN(C(=O)CC[C@@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 12572384 JVRPOPGTDWCGFH-JOCHJYFZSA-N 418.559 2.792 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3sccc3C)C2)cc1 13545321 TZUCLPJPSGNKEJ-HNNXBMFYSA-N 408.545 2.896 0 50 HFAA COc1ccccc1CCNc1ncnc2sc(C(=O)N[C@H](C)CO)c(C)c12 14963797 WVKZRWINOJGGKP-GFCCVEGCSA-N 400.504 2.774 0 50 HFAA COc1cccc(CCNc2ncnc3sc(C(=O)NCCN(C)C)c(C)c23)c1 15003442 QFPVYEZSXWNNPN-UHFFFAOYSA-N 413.547 2.954 0 50 HFAA Ic1cnn([C@@H]2CCCCO2)c1I 95496024 DXTLRUXAWBXFDB-ZETCQYMHSA-N 403.989 2.791 0 50 HFAA in-vitro Cc1ccc(Br)c(CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 225414711 DFAJZVFWKMXCGG-OAHLLOKOSA-N 403.324 2.995 0 50 HFAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccccc2)cc1 245325633 GRQHNJFGNPBKRZ-XSDIEEQYSA-N 402.450 2.724 0 50 HFAA O=C(Nc1nnc2ccccn12)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 437793796 CUNGUSDOGSKYCF-CQSZACIVSA-N 411.466 3.335 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NCCc3nc(-c4cccnc4)no3)o2)c1C 670455802 UMECTFDPIUKSOY-UHFFFAOYSA-N 415.431 2.517 0 50 HFAA C[C@H](Cn1cncn1)C(=O)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 952975902 ZMMAHUSDNPCQQL-GFCCVEGCSA-N 401.820 2.935 0 50 HFAA Cc1nc(N2CCN(C(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)CC2)n[nH]1 1469705751 KQAYFKWRUCWCCU-UHFFFAOYSA-N 419.411 2.793 0 50 HFAA CCn1cc(CN(CCOC)S(=O)(=O)c2cc(-c3cc(C)[nH]n3)sc2C)cn1 1506420902 BRMSRAVVAFQMRE-UHFFFAOYSA-N 423.564 2.809 0 50 HFAA COc1cccc(F)c1-c1nccn1-c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1857682150 JLSLGGAREKPQOA-CQSZACIVSA-N 404.467 2.860 0 50 HFAA O=C(c1cn(CC(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c2ccccc12)C1CC1 1857722578 YWRFUCKFGXGUNV-GCJKJVERSA-N 403.482 2.691 0 50 HFAA COc1ccc(CCC(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 1857725442 XBTDHCXPJGJQRU-GMAHTHKFSA-N 401.478 2.582 0 50 HFAA C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901706 UVBITKMOMHWLLM-BFUOFWGJSA-N 418.453 2.556 0 50 HFAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 798953 FUNDMASTMOWFDZ-ZDUSSCGKSA-N 416.434 2.823 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 821184 VWHKPDDTGBINFC-UHFFFAOYSA-N 420.487 2.667 0 50 HFAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 1010594 AORYCGGIRVRJDK-INIZCTEOSA-N 408.410 2.501 0 50 HFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OCC)c1 2072984 CHRXYZTUZJRLMP-INIZCTEOSA-N 412.870 2.994 0 50 HFAA Sc1nnc(Cn2cc(Br)cn2)n1-c1cnn(Cc2ccccc2)c1 2808515 WNBHTSOHSRYMAK-UHFFFAOYSA-N 416.308 2.808 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccn[nH]2)n1CCc1ccccc1 12304879 YBVZYRXBGUCMAB-UHFFFAOYSA-N 401.536 2.663 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCCc1ccccn1)C2 14536754 ZCBNBCVVOIMCNT-GOSISDBHSA-N 407.493 2.574 0 50 HFAA CCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 21795263 RLGLEYCEPBLIDA-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)on1 91625090 UINNSKIWQCPRMD-SFHVURJKSA-N 403.523 2.897 0 50 HFAA CC1(C)[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[C@@H]2CCO[C@H]21 230274752 NKYGDCHEYRWFFU-USXIJHARSA-N 406.914 2.909 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccnc3)CC2)cc1 253388012 MGXKRWJIDXNEGR-WKILWMFISA-N 403.504 2.814 0 50 HFAA COc1ccc(C2=NO[C@H](CNC(=O)c3nn(-c4ccc(F)cc4C)cc3O)C2)cc1 253392252 QRSAOUKZJVSQPW-KRWDZBQOSA-N 424.432 2.957 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NCCc4nccn4C)csc3C2)nc1 426490358 APLDKNPQSDLDBI-UHFFFAOYSA-N 409.559 2.970 0 50 HFAA O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCO[C@H](c2ncon2)C1 474210904 ZKZIEHWWUBSRMF-INIZCTEOSA-N 408.443 2.593 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2scnc2c1 670442968 DSKWDYCWDBTXDZ-VSZUSUSQSA-N 404.539 2.594 0 50 HFAA C[C@@H]1CCCN(C(=O)CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 1263136288 ZKLVJCJMMAHLNS-WBMJQRKESA-N 402.322 2.975 0 50 HFAA CN(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2C(=O)c1nn(C)cc1Cl 1704324585 AUBJBIASMRSKEO-KUDFPVQQSA-N 400.910 2.768 0 50 HFAA Cc1ncnc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)CC2CCCC2)[C@@H]3O)c1C 1772701502 QLGZDGGRDTZXQU-FCHUYYIVSA-N 416.566 2.669 0 50 HFAA Cn1nc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c2ccccc2c1=O 1857677885 PQBMBACZUHOSRF-IQOKHDRSSA-N 403.482 2.532 0 50 HFAA O=C1NC(=O)[C@@]2(CCCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)C2)N1 1875265470 JIHIHEXTJMGGNN-QHCPKHFHSA-N 402.454 2.509 0 50 HFAA CCC1(C(=O)N2CC(C)(c3cn(CCCOc4ccc(Cl)cc4)nn3)C2)COC1 1875337912 IYSGCXLRQJQJQP-UHFFFAOYSA-N 418.925 2.927 0 50 HFAA CC[C@@H](O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358237 NZJWGKOVJZCPDC-RWWKDMOOSA-N 422.533 2.960 0 50 HFAA O=C(Nc1cccc(COC[C@H]2CCCO2)c1)c1ccnc(NCCn2cnnc2)c1 1875361212 UEPPPEAJUCPOGH-HXUWFJFHSA-N 422.489 2.733 0 50 HFAA Cc1ncsc1C(=O)N1CCC[C@@]2(CCCN(Cc3ccnn3C)C2=O)[C@H]1C 1940194925 COJGOBRELLJNIZ-QRWLVFNGSA-N 401.536 2.619 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)C4(O)CCCC4)C3)c3cccc(=O)n32)c1 2356154937 QKAPESVVNSFQQA-DXIQSLLYSA-N 422.525 2.892 0 50 HFAA CCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 2172692 MUMKFOUEVWHJJC-UHFFFAOYSA-N 409.533 2.960 0 50 HFAA CC(=O)NCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2391133 CSMYOORPUGPKAP-IBGZPJMESA-N 414.483 2.805 0 50 HFAA biogenic O=Cc1ccc(OCCO[C@H]2OCCO[C@@H]2OCCOc2ccc(C=O)cc2)cc1 4530360 SLKXDSUCYZPQDP-VXKWHMMOSA-N 416.426 2.502 0 50 HFAA COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2sc(N)nc2C)o1 6157360 KKFVHCSBCDEIIJ-UHFFFAOYSA-N 405.461 2.601 0 50 HFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2ncc(Br)cn2n1 6638129 AIMPAXADQULFLD-UHFFFAOYSA-N 411.263 2.950 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)cc1 12196453 DWIIOEXBJGGIOL-GOSISDBHSA-N 420.513 2.712 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccccn1 13495491 KAXIBDKZHVZQQA-UHFFFAOYSA-N 423.922 2.605 0 50 HFAA Cc1c(CN2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccn3)C2)cnn1C 14540597 UXCPFHMVQVXISP-JOCHJYFZSA-N 411.550 2.686 0 50 HFAA Cc1c(CN2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)cnn1C 14749066 ISVBRCLUGMCZLX-HXUWFJFHSA-N 402.514 2.753 0 50 HFAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C 14993458 KCIFKHHIGVUZPM-UHFFFAOYSA-N 408.506 2.718 0 50 HFAA CSc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCC(C)CC1 16625464 YBABMCUFSJLWJS-HNNXBMFYSA-N 412.577 2.738 0 50 HFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 17088793 LRKPSXLQCNEMRL-UHFFFAOYSA-N 411.343 2.752 0 50 HFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 19853480 BDDINPGAWMQIPB-UHFFFAOYSA-N 417.531 2.550 0 50 HFAA O=C(c1cccs1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 19890116 QHJMPFZHLMMEQB-MRXNPFEDSA-N 417.918 2.928 0 50 HFAA CCn1nccc1-c1cc(C(=O)O)c2c(=O)nc(S)n(-c3cccc(C)c3)c2n1 20615703 SKWPPSWCXXMTDH-UHFFFAOYSA-N 407.455 2.959 0 50 HFAA O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCN(c2cccc(Cl)c2)CC1 61720902 WRXWKDIDKZWFTN-UHFFFAOYSA-N 400.910 2.514 0 50 HFAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71774979 BVGIWVBQLFNUON-QGZVFWFLSA-N 422.533 2.890 0 50 HFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 72139272 GGEXKHQFTJDSTA-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA Clc1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)cc2n1 115205190 OFPYYFFQXGWGIH-UHFFFAOYSA-N 407.971 2.709 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 239274725 APSXPQQQDGLTLX-KNXALSJPSA-N 404.850 2.708 0 50 HFAA CCC(=O)N(C)c1ccccc1-c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 253430473 LRXUQRMBJKFEGR-UHFFFAOYSA-N 418.450 2.727 0 50 HFAA Cc1cc(=NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)nc2nc(C(F)(F)F)[nH]n12 463243669 PNODIPJYSYFCIC-NSHDSACASA-N 424.814 2.992 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@]34CCCN[C@H]3CCC4)c2c1 2325840300 WYAMZNHLONHRFW-RDJZCZTQSA-N 408.287 2.991 0 50 HFAA Cc1cc(N2CCNC2=O)ccc1NC(=O)NC[C@@H](O)Cc1cccc(Cl)c1 2325872790 NFOLDWJSCVEHTG-KRWDZBQOSA-N 402.882 2.903 0 50 HFAA O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 692086 XLDHSLHHVQBYGG-MRXNPFEDSA-N 406.529 2.875 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccccc2OC)cc1 785223 MNTLENOBVGMSHQ-UHFFFAOYSA-N 404.488 2.522 0 50 HFAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 894974 VVFSYWMRIQEVPN-XMMPIXPASA-N 407.466 2.936 0 50 HFAA C[C@@H](CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1 2995941 SEYUVYWWAMYEGF-ZETCQYMHSA-N 420.057 2.946 0 50 HFAA CCN(CC)C(=O)Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 6517494 RDNSACQMURYEHY-UHFFFAOYSA-N 400.504 2.726 0 50 HFAA O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2)c1cccs1 8817415 USLZCERPUYNSDY-NSHDSACASA-N 424.569 2.858 0 50 HFAA COc1ccc(Cn2cc(C(=O)N[C@@H](Cn3cccn3)c3ccccc3)nn2)cc1 11874335 OXETUSVONJNBNI-FQEVSTJZSA-N 402.458 2.703 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2cccnc2)C1 12307020 ZNBGRBKHHIAGOD-HXUWFJFHSA-N 424.469 2.937 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)c3cn4c(C)cccc4n3)C2)cc1 12316539 VFWRUGUIQIVDAG-IBGZPJMESA-N 420.513 2.862 0 50 HFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(CC)CC)cc1 13154652 PINLPLCLAXZGLQ-SRYPRDQNSA-N 419.518 2.699 0 50 HFAA CC[C@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 14986667 COZWZOUXEXQADF-KRWDZBQOSA-N 403.486 2.806 0 50 HFAA CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)c1ccccc1SC)CC2)C(C)C 15005418 JGIPWWYMVZSOAS-LJQANCHMSA-N 415.563 2.922 0 50 HFAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cn(CC(C)C)nc1C 20614378 BRQSYDWBMPPUTK-UHFFFAOYSA-N 418.361 2.647 0 50 HFAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(C)cn3)cc1O2 20733854 LXBWAZXDPPDPFX-UHFFFAOYSA-N 423.469 2.754 0 50 HFAA COCCCN1C(=O)C[C@@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2ccccc2C)C1=O 104517504 ZWBQVISMWJJMDF-AXHZCLLHSA-N 412.530 2.819 0 50 HFAA COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c1C2 252570386 WPRZBWYTAKIREU-KDOFPFPSSA-N 410.518 2.992 0 50 HFAA Cc1cc(C(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c(C)o1 299772276 USOUGUUWNMCKNR-QHCPKHFHSA-N 409.486 2.960 0 50 HFAA CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(Cl)sc3c2)cc1 328596098 SDAHNIBQURUNCV-UHFFFAOYSA-N 417.921 2.659 0 50 HFAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(OCc2ccccn2)c1 480693909 DNZOOLNQDADIGP-RDJZCZTQSA-N 405.458 2.614 0 50 HFAA C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccnc(N2CCOCC2)n1 485976974 LSOFSXCOHIXOFE-KRWDZBQOSA-N 410.522 2.743 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)CC1=O 952989582 WJFYMFKETWDZLX-QGZVFWFLSA-N 406.486 2.887 0 50 HFAA CCOC(=O)c1cnn2cc(-c3nccn3Cc3cccc(CN(C)C)c3)cnc12 1857697217 KTSSSQSNOIDJKF-UHFFFAOYSA-N 404.474 2.879 0 50 HFAA O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CC(c3ccncc3)=NO2)cc1O 1875264429 PYAMHQQBSOMFKP-FQEVSTJZSA-N 408.458 2.981 0 50 HFAA C[C@@]1(C[C@H]2CCCN2C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)NC(=O)NC1=O 1875330612 VIKIRKUYCBOBNM-XIKOKIGWSA-N 410.396 2.571 0 50 HFAA COC[C@@H](O)CONC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1875356265 MVCBLBRDPMOHPN-LJQANCHMSA-N 415.877 2.790 0 50 HFAA CC(=O)CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1 859520 RKPGDSMUWGEZBR-UHFFFAOYSA-N 422.524 2.859 0 50 HFAA Cc1nonc1C(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 11842694 XJZDJIZZNDUKOA-IBGZPJMESA-N 403.571 2.961 0 50 HFAA Cc1ccc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cc1F 11872922 ZACOAIAFBLVTGF-IBGZPJMESA-N 401.526 2.863 0 50 HFAA COC1CCN(c2nc(CN3CCC[C@@H](C(N)=O)C3)nc3ccc(Cl)cc23)CC1 11982399 DLOLCFHOLBVNPB-CQSZACIVSA-N 417.941 2.596 0 50 HFAA CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)CCCCC1 12074877 OSHAXDSRGAJKTR-QGZVFWFLSA-N 401.507 2.593 0 50 HFAA O=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 13745428 IAJZRJFKBDXAFS-UHFFFAOYSA-N 424.320 2.988 0 50 HFAA CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1 13996637 XFYJSEDLKCPIGA-UHFFFAOYSA-N 404.564 2.748 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccccn1)CC2 14742542 MLXFNMTWPAGEGH-UHFFFAOYSA-N 407.518 2.728 0 50 HFAA Cc1cccc(Cc2nnc(CCC(=O)NCCc3nc(C)c4c(n3)CCC4)o2)c1 20534681 IHSPAPYXAVDFOP-UHFFFAOYSA-N 405.502 2.847 0 50 HFAA O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 64045289 LIIYKIATDPIHOU-APWZRJJASA-N 404.465 2.606 0 50 HFAA CCN1C[C@@H](NC(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CC1=O 67834301 UOYRKUVJWLOSQM-INIZCTEOSA-N 409.442 2.766 0 50 HFAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)C(=O)[C@@H]21 168068136 PVRUUSQHGDWMAH-ZXHHNCQOSA-N 404.466 2.924 0 50 HFAA COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1COC2=O 169757979 NSMSWSAPDBUIKO-OAQYLSRUSA-N 421.453 2.828 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H](n2cc(-c3noc(C)n3)nn2)C1 169777797 JTGSRJXOKPQRLA-ZDUSSCGKSA-N 402.842 2.776 0 50 HFAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c2ccccc2oc1=O 217594266 CMTKIGCXWDKNPP-ZDUSSCGKSA-N 400.383 2.916 0 50 HFAA biogenic Cc1nc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)nn1-c1ccc(Cl)cc1 222131428 ZCRXINJLGGHQDF-FGTMMUONSA-N 403.914 2.553 0 50 HFAA COc1ccc([C@H]2[C@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC(=O)N2C)cc1 253396324 BABDFVCADQDSRG-NQAVQENRSA-N 413.562 2.938 0 50 HFAA biogenic CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC 253487681 NYRGXQKQJYLSSV-AQKFKSFVSA-N 409.530 2.557 0 50 HFAA CS(=O)(=O)c1ccc(-c2nc(COC(=O)Cc3ccc4c[nH]nc4c3)co2)cc1 786561564 REEREFYEPOZWSP-UHFFFAOYSA-N 411.439 2.907 0 50 HFAA Cc1cccc(N2CCC(N3CCCN(S(=O)(=O)N4CCCC4)CC3)CC2)c1C 1506417453 JEMLQRMBZQMWOB-UHFFFAOYSA-N 420.623 2.621 0 50 HFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C1 1506422312 AAKBKFMAMSXSMN-QGZVFWFLSA-N 402.516 2.882 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)CCN3CCCCCC3=O)CC1)OCC2 1704340758 LVSKTPYTOLOPGT-UHFFFAOYSA-N 400.519 2.878 0 50 HFAA COc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C4CCC4)C[C@]3(CN(C)C)C2)cc1Cl 1772707541 UYLJYACEUHSCIA-HTAPYJJXSA-N 419.953 2.611 0 50 HFAA O=C(COc1ccccc1CN1CCC(C2CCNCC2)CC1)NC[C@@H]1CCCO1 1857678234 JDJKCZAPFVWETB-QFIPXVFZSA-N 415.578 2.572 0 50 HFAA CCC[C@@]1(CO)CN(C(=O)CCCc2nc(-c3cccc(C)c3)no2)CC[C@H]1O 1857724848 PNWWPPYQKKBVMV-GCJKJVERSA-N 401.507 2.740 0 50 HFAA Cc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C5CC5)no4)[C@H]4CC[C@]3(C2)O4)c1 1875249305 RCVSGWZWWLLWKO-UVELEOGVSA-N 408.502 2.978 0 50 HFAA CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)Nc1cccc(C(N)=O)c1 1875346865 CQTOGURABBQJLI-UHFFFAOYSA-N 402.454 2.922 0 50 HFAA CCOc1cccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356163715 OJMKMVMHVGLOCA-DNVFCKCGSA-N 400.519 2.986 0 50 HFAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 1158277 JYGIRNNTSYDSCV-INIZCTEOSA-N 404.488 2.795 0 50 HFAA Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(N2CCCc3ccccc32)n1 4450711 SFWCSCJFJHHZJB-UHFFFAOYSA-N 419.508 2.999 0 50 HFAA CCOC(=O)CNC(=O)N1CCC(CCCc2ccccc2)(C(=O)OCC)CC1 11841051 NPXJLOICGZJAPA-UHFFFAOYSA-N 404.507 2.927 0 50 HFAA Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)o1 12302916 SUCQQCXKKJDNBE-GOSISDBHSA-N 407.536 2.779 0 50 HFAA CCCCn1c(CN2CCC[C@@H](CNC(C)=O)C2)cnc1S(=O)(=O)CC1CCC1 12433993 NUWIBZROTAWVCY-IBGZPJMESA-N 424.611 2.605 0 50 HFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCCC1 12835638 SZJQMWLWHKNGBO-OAQYLSRUSA-N 418.601 2.914 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 14741514 XTOQZNWFSOCCGW-CQSZACIVSA-N 406.502 2.534 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)Cc1cscn1)C2 14744170 AZHAPUSGTYPIRD-INIZCTEOSA-N 419.620 2.928 0 50 HFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CC(=O)N(c2ccccc2C)[C@H](C)C1 14878903 SZFAIVXBJFWPFM-CRAIPNDOSA-N 407.470 2.693 0 50 HFAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1cnn(Cc2ccccc2)c1 14977681 MCOHOPFDYAHWJV-HSZRJFAPSA-N 406.486 2.812 0 50 HFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 21793588 RCDYCIPETCSGLY-UHFFFAOYSA-N 404.312 2.576 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCCCO2)n1CCc1ccccc1 55197121 HJIYMNPMADKTHJ-HXUWFJFHSA-N 405.564 2.920 0 50 HFAA CCOc1ccccc1CN1C[C@H](NC(=O)c2ccc(F)cc2)C[C@H]1C(=O)OC 64093705 CUARNSFMFMLBOD-MOPGFXCFSA-N 400.450 2.770 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 82092926 NQEMKGASHHKHCI-NRFANRHFSA-N 406.530 2.715 0 50 HFAA Cc1ccccc1[C@]1(CC(=O)N2C[C@H]3CC[C@H]2C3)CC(=O)N(Cc2ccncc2)C1=O 104402623 SGJYWEPKBXQGJU-RLSLOFABSA-N 417.509 2.988 0 50 HFAA O[C@H]1CN(c2ccc(Cl)cn2)CC[C@@H]1N1CCN(CCc2ccccc2)CC1 216708054 KVMJRUWFYWUMGT-SFTDATJTSA-N 400.954 2.535 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 253431674 STGSMKLAKTWIFK-CXAGYDPISA-N 403.276 2.916 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)c3ncnn3C)csc2C1 426662082 IHUARCCCAKWAOY-GFCCVEGCSA-N 400.508 2.531 0 50 HFAA Cc1cc(F)c2nc(O)cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c2c1 489193069 AWUMFALZLLDATJ-NRFANRHFSA-N 408.389 2.695 0 50 HFAA C[C@H](O)c1cn(C2CN(Cc3ncc(-c4cccc(Br)c4)[nH]3)C2)nn1 779614991 YCWSIGHOKJBQPC-NSHDSACASA-N 403.284 2.541 0 50 HFAA Cn1c(C(=O)N2CCC[C@@H](CNC(=O)c3ccnnc3)C2)ccc1-c1ccccc1 952991477 SJXRNLZCVXJNIQ-KRWDZBQOSA-N 403.486 2.764 0 50 HFAA N[C@@H]1CCCO[C@@H]1C1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 1775988712 BYXJMBBUFNJFJJ-DNVCBOLYSA-N 424.879 2.887 0 50 HFAA COc1ccc(CCCC(=O)N[C@@H]2C[C@@H](C(=O)N3CCCC3)CC[C@H]2OC)cc1 1857687743 CHPBNQLBHZDDJO-CEWLAPEOSA-N 402.535 2.940 0 50 HFAA CCc1nnc(N2C[C@H](C(=O)N(C)CCCOc3ccc(C)cc3)CC2=O)s1 1857707776 JOSJCTKQVWUKEY-OAHLLOKOSA-N 402.520 2.689 0 50 HFAA C[C@H](NC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)[C@H](C)n1cncn1 1875257472 OECKKPIPVFDOGS-KBPBESRZSA-N 411.487 2.975 0 50 HFAA Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(-c2n[nH]c(C3CC3)n2)c1 2325713626 GSZWDSMTOYIIMS-UHFFFAOYSA-N 400.446 2.950 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cncs4)C[C@H]3C2)sc2nccn12 2325876073 JWPAANJHQWLOCZ-IHRRRGAJSA-N 415.544 2.831 0 50 HFAA COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1161247 GDWHNHUPKLMMAJ-VGOFMYFVSA-N 402.790 2.806 0 50 HFAA CCCCS(=O)(=O)C[C@@H](COC(=O)c1ccccc1)S(=O)(=O)CCCC 5102274 LZWVUZBQQWQKMH-QGZVFWFLSA-N 404.550 2.642 0 50 HFAA COCc1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)o1 11813562 BTNOVGQXYVHUKA-QGZVFWFLSA-N 402.491 2.842 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccccn2)CC1 12305613 ROIZHHPWPFNJIB-NRFANRHFSA-N 400.567 2.634 0 50 HFAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC 12707762 IYCZMDLABLHGKA-FQEVSTJZSA-N 419.566 2.587 0 50 HFAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)n1 13008921 BAYGMZMTWXYZBO-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)CN(C2CCN(C(C)C)CC2)C1 14532591 OHHKPTGKAUNBMC-NRFANRHFSA-N 420.598 2.850 0 50 HFAA CCCCn1c(CN(C)C[C@H]2COCCO2)cnc1S(=O)(=O)C1CCCCC1 20920811 RHJAIOOJXQSWJB-SFHVURJKSA-N 413.584 2.637 0 50 HFAA COCCN1C[C@]2(CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CCC1=O 95523013 JNDSVDYLQHYYMP-QFIPXVFZSA-N 402.539 2.949 0 50 HFAA Cc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 100427120 QNPPOHQNSDTRLK-PKTZIBPZSA-N 403.526 2.802 0 50 HFAA O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cnn([C@@H]2CCOC2)c1 241644731 PSYNOPMRPBHUOB-GFCCVEGCSA-N 408.480 2.586 0 50 HFAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245309463 DIMRZIVYBGEWTB-KEXUJGGDSA-N 405.429 2.565 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCN3CCC[C@H]3C2)n1CCCc1ccccc1 252448909 UMTYKXHPMFYJPV-FQEVSTJZSA-N 416.591 2.590 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)CC[C@H]2N=C(O)N(c3ccccc3)C2=O)c1 252508129 XDOSGXBWZLMFGS-LJQANCHMSA-N 420.469 2.876 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 409414497 LFRBEIYRNXNMRT-ROUUACIJSA-N 406.442 2.765 0 50 HFAA Cc1cccc2nc(C3CCN(C(=O)c4cnc5nc(O)nc(O)c5c4)CC3)oc12 444539842 APVSMVXITDJLQK-UHFFFAOYSA-N 405.414 2.905 0 50 HFAA O=C(O)CCC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 958527473 CTEYJUWUMDYAFD-UHFFFAOYSA-N 408.454 2.945 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)COc2ccc(Cl)cc2)cc1OC 1529152149 PGFGNMAWJFBPMM-TZIWHRDSSA-N 421.877 2.697 0 50 HFAA O=C(c1ccc(-n2cnnc2)cc1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857673826 LAEILQXAKYQODR-MIZPHKNDSA-N 402.454 2.958 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccncc1Cl)C2 1857681247 FQZFVLCVLBIDNS-WOIUINJBSA-N 421.969 2.991 0 50 HFAA O=C1CCCN1c1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccc(O)c2)cc1 1857690995 RCAJZJIGQADPDX-VXKWHMMOSA-N 405.498 2.894 0 50 HFAA O=C(c1cccc2c1NCCC2)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857720195 IXQLQQMWAGGXGQ-ROKPMTFOSA-N 403.482 2.959 0 50 HFAA Cc1ccc(C)c(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1 1857733028 RQGUTKHPSFRTKA-UPVQGACJSA-N 409.530 2.542 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)NCCc2nccs2)CC[C@@H]1NC(=O)c1cc[nH]c1 1875248850 SKZFUHQWWBPNON-XIRDDKMYSA-N 404.536 2.524 0 50 HFAA C[C@H](NC(=O)C(=O)N(CCO)[C@@H]1CCc2ccccc21)[C@@H]1Oc2ccccc2[C@H]1C 1875259488 ATHFETDPNNNXRX-FLUSEDSTSA-N 408.498 2.564 0 50 HFAA O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CCC[C@H]1Cn1cncn1 1875332053 AUKGGSXWXFODNM-ZDUSSCGKSA-N 406.368 2.872 0 50 HFAA CO[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C(C)C)C[C@H]1NC(=O)CCN1CCCCC1 1875337264 VGBHPBASPZYXAL-MQSCRBSSSA-N 415.578 2.644 0 50 HFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(C(=O)NCc3cccnc3)cc2Cl)cn1 1875385289 QEYYXIDXDIPVHW-CLYVBNDRSA-N 411.893 2.662 0 50 HFAA COc1ccc2c(c1)c(C(=O)N1CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C1)c(C)n2C 1940197616 CQFRTWVWRGZMCQ-XMSQKQJNSA-N 400.475 2.573 0 50 HFAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(COc2cccc(Br)c2)o1 2325732140 DPSGLHVVGBWEAI-GFCCVEGCSA-N 412.261 2.662 0 50 HFAA CCOCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 2325829535 LWRXIUJIPBEVNP-CMKODMSKSA-N 400.519 2.781 0 50 HFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6563530 HPRUITAWZBRYPE-UHFFFAOYSA-N 422.572 2.679 0 50 HFAA Cn1c(CCn2ccccc2=O)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 6664976 UCPXEJZLFXNTMA-UHFFFAOYSA-N 408.483 2.779 0 50 HFAA CCCOc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1 9192260 GUNZUDMCYGNCJN-UHFFFAOYSA-N 417.531 2.809 0 50 HFAA O=C(NCCCN1CCCC[C@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 11668043 PUPQCGIIOQSRRZ-SFHVURJKSA-N 424.501 2.769 0 50 HFAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)n1 13008917 ZWOGCYWFGBEIKB-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA O=C(CCN1CCCO1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 15077915 BGINSQFDJUHPOY-QGZVFWFLSA-N 419.953 2.754 0 50 HFAA COc1cc(CN2CCN(Cc3cc(OC)ccc3F)C[C@@H]2CCO)cc(OC)c1 19221377 PBGITDJTIKUAKX-IBGZPJMESA-N 418.509 2.920 0 50 HFAA COc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc1Cn1cccn1 20515027 RLIKPWCLXRAUBV-QFIPXVFZSA-N 400.567 2.855 0 50 HFAA COCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(OC)cc3)nc21 20605707 JRTUWRMGMKLRAR-UHFFFAOYSA-N 401.444 2.563 0 50 HFAA COc1ccccc1CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C3CC3)n[nH]2)C1 43641456 ZWWNSXDEHIYXKZ-RXVVDRJESA-N 422.529 2.992 0 50 HFAA COc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c1 54147042 GQNGRNMCZGTWLS-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)cc1 77424778 DBLGVWNIKQHXIJ-XARGGIHNSA-N 420.513 2.521 0 50 HFAA O=C1N[C@H](C(=O)N2CCC(OC3CCCC3)CC2)CS[C@@H]1Cc1ccccc1F 170608076 DSSFQLFCSHXPLI-VQTJNVASSA-N 420.550 2.919 0 50 HFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@@H]1CCOC1)C(=O)OC2 221697325 JTYOAVCKMPLYHD-IEWBSGLLSA-N 403.475 2.801 0 50 HFAA O=C1N[C@@H](CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587246 DVCRTJHJIKKCMZ-RBUKOAKNSA-N 417.469 2.757 0 50 HFAA Cc1csc(-c2cccc(CNC(=O)C[C@@H]3NC(=O)N(Cc4ccco4)C3=O)c2)n1 263588092 OZOPDAWXSVBRLE-KRWDZBQOSA-N 424.482 2.838 0 50 HFAA O=C(NCCN1CCCC[C@@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 670439910 RTGJEPZUNMKERY-XMMPIXPASA-N 407.558 2.822 0 50 HFAA COCCCOCCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 952895329 ZXBONMUKCCWAKW-HXUWFJFHSA-N 401.507 2.832 0 50 HFAA Cn1nc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1-c1ccccc1 952980463 PREYYPMDPGHRQZ-UHFFFAOYSA-N 420.469 2.577 0 50 HFAA COC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C 952984628 XNSYYFZFFPUKTF-IBGZPJMESA-N 400.504 2.892 0 50 HFAA CCOc1ccc(CC(=O)N2CCCN(C(=O)Cc3csc(C)n3)CC2)cc1 1772708208 AHBDUIGDAJAJLB-UHFFFAOYSA-N 401.532 2.696 0 50 HFAA O=C(O)CC[C@]12CN(Cc3cscn3)C[C@@H]1CN(Cc1nc3ccccc3[nH]1)C2 1772804180 IKKUHEAMKZSMNC-QVKFZJNVSA-N 411.531 2.818 0 50 HFAA CN1CC[C@@H](CNC(=O)Cn2ncc3ccccc3c2=O)[C@@H]1c1cccc(Cl)c1 1875258785 RVFUUIZKCBEZHU-UWJYYQICSA-N 410.905 2.859 0 50 HFAA CC(C)(C)c1n[nH]c(COC(=O)c2cnn(-c3cccc(Br)c3)n2)n1 2325718809 GBHRFIPWQRHWBT-UHFFFAOYSA-N 405.256 2.802 0 50 HFAA COC1(C(F)(F)F)CC2(C1)NC(=O)N(c1cncc(Br)c1C)C2=O 2325869737 ZFMLCRNHKYNBIK-UHFFFAOYSA-N 408.174 2.689 0 50 HFAA CN(CCNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1)C1CC1 2325880002 PUFJVWHRKFNKIV-UHFFFAOYSA-N 416.366 2.945 0 50 HFAA COc1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)cn1 2356157675 QKXLJIHFTMDDPR-NEPXVJNWSA-N 400.523 2.763 0 50 HFAA CSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 4809709 GWUFXTUZPXYCEI-CYBMUJFWSA-N 411.936 2.681 0 50 HFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1 5029029 JWEBEFQJHGKRSF-LJQANCHMSA-N 406.442 2.625 0 50 HFAA CCCOc1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 8594292 QAKOSRWGADQBIJ-UHFFFAOYSA-N 424.501 2.755 0 50 HFAA CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 15942703 AUPVFFYQXXUJOH-UHFFFAOYSA-N 417.506 2.591 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cnc(N)nc4)CC3)cc2)n1 19851536 UDNGCIYRLRIAMB-UHFFFAOYSA-N 405.506 2.712 0 50 HFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 39515659 ISWZRPGUBDCKMX-MRXNPFEDSA-N 402.501 2.726 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1CCO 76837697 PCYQMEKSPLBSBC-FQEVSTJZSA-N 400.519 2.868 0 50 HFAA COc1cc(NC(=O)[C@@H]2CCc3nnc(-c4ccc(O)cc4)n3C2)cc(OC)c1OC 170614544 WNDYWRVQVVCOEA-CQSZACIVSA-N 424.457 2.878 0 50 HFAA COc1ccc(N2C[C@@H](C(=O)N3CCOC4(CCCCC4)C3)CC2=O)cc1OC 170641029 VKMKAAONDKFJIR-INIZCTEOSA-N 402.491 2.618 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 225419615 LBGKSLBUGGDVDR-CGCKEFBRSA-N 418.541 2.818 0 50 HFAA COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cnc4ccccc4n3)C2)c(F)c1 225505907 ZXJKDMCYQBQVDP-LJQANCHMSA-N 400.435 2.888 0 50 HFAA CS(=O)(=O)c1cccnc1CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 225611132 UCDANFWDRSSVFC-UHFFFAOYSA-N 405.863 2.652 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1C 245226074 HFSYTLKIKCDFFP-UECWXEIQSA-N 419.456 2.874 0 50 HFAA COc1cc(Br)c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1O 253426450 VGOSPCAPXYTCAO-NSHDSACASA-N 411.300 2.734 0 50 HFAA O=C(Nc1cc(F)cc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427687 NVVLRIRERAOLOJ-HNNXBMFYSA-N 416.833 2.646 0 50 HFAA Cc1cnccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299769660 OZUUWABGEKVUHB-QFIPXVFZSA-N 413.493 2.800 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCCN(Cc2ccccc2F)C1 828012969 CNAZHFMXQFKSNK-GOSISDBHSA-N 404.507 2.770 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(CC(C)C)nc(O)n2)CC1 1506429715 UHHWORDIKWGDOH-UHFFFAOYSA-N 411.550 2.945 0 50 HFAA CCn1cc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)c4cc(C)oc4C)C3)C2)cn1 1857692055 MNCSVRYPHRQXBZ-IFMALSPDSA-N 400.523 2.602 0 50 HFAA Cc1cccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C[C@H]3C(=O)O)n1 1857696181 QHYHOSGAGGNNQA-FQEVSTJZSA-N 407.514 2.872 0 50 HFAA Cc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)O)Cc2cn(Cc3ccc(C)o3)nn2)cc1 1875355207 CWNOKZJBZOWEJY-SJLPKXTDSA-N 410.474 2.842 0 50 HFAA CC1(C)C[C@@H](CC(N)=O)N(c2ncnc3sc(I)cc23)C1 2325854404 CDLQXZFSBDVFQB-MRVPVSSYSA-N 416.288 2.776 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC1)OCC2 2356165942 RINGKNREIQCIDZ-LJQANCHMSA-N 406.482 2.960 0 50 HFAA O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N1CCOCC1 796365 IIXUJTJIRJQLGE-UHFFFAOYSA-N 415.906 2.934 0 50 HFAA O=C(NCCCO)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 2117541 GUXMXBKVSNUOQE-ATVHPVEESA-N 403.276 2.719 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1cccs1 6237852 MGDDIOLFJYPEQY-OBHPCNEJSA-N 414.483 2.609 0 50 HFAA O=C(NCCc1cn[nH]c1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11815911 ZDPRDSMVKAZYQT-LJQANCHMSA-N 416.529 2.931 0 50 HFAA O=C(Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1)[C@H]1CCOC1 11817368 IFXIZMNLPDVMHD-HNNXBMFYSA-N 412.519 2.700 0 50 HFAA COC(=O)CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11818162 IJOHNGCUMQFWQQ-SFHVURJKSA-N 422.529 2.918 0 50 HFAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCC[C@@H](CO)C1 12309005 SDKABUHLJNBFMC-LJQANCHMSA-N 409.530 2.970 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12714147 HKSDOEBNHLPTHE-INIZCTEOSA-N 407.486 2.597 0 50 HFAA O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCN1CCCC1=O 14880969 XCNLRKZIFPUAIB-RUZDIDTESA-N 421.541 2.940 0 50 HFAA COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20232285 RHQKPIPVMLBVJH-LJQANCHMSA-N 404.894 2.689 0 50 HFAA CCN1CCN(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)CC1 20322213 WKJLJGMPWCRDEO-NRFANRHFSA-N 409.578 2.948 0 50 HFAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(F)cc4)n3)c(C)n2)CC1 36235709 QXYKPCPCFFOSRA-UHFFFAOYSA-N 409.469 2.560 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)cc1C 77556363 NOSIVGGVCSCOJF-JCUDRXCFSA-N 403.482 2.643 0 50 HFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2)C2=C1C(=O)OC2 169758109 HQYWUEOAUKVTSO-NRFANRHFSA-N 421.453 2.910 0 50 HFAA COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)c2sc(C)nc2C)s1 170606270 VNIKVHUAOBXYHP-SNVBAGLBSA-N 403.551 2.759 0 50 HFAA CC(C)c1nnc(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)n1C 225525618 DWOLUXNSQPYFDA-OAQYLSRUSA-N 401.511 2.995 0 50 HFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1ccccc1)C2)c1cccnc1 299794258 JEAREKUEOJKAOO-OAHLLOKOSA-N 406.467 2.852 0 50 HFAA Cc1cccc2nc(CNC(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)n(C)c12 434356814 YSHMWELWEGVGIB-SFHVURJKSA-N 420.513 2.816 0 50 HFAA COc1ccccc1-c1ccnc(C2CCN(C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)n1 952892224 FWIIIIWOQFVIBR-HSZRJFAPSA-N 423.517 2.710 0 50 HFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 1299446977 RZIFHULOAUZWBM-UHFFFAOYSA-N 415.335 2.866 0 50 HFAA O=C(O)[C@H](c1cccc(-c2ccccc2)c1)N1CCC(N2CCN(CCO)CC2)CC1 1506399375 MSJOOQGGLXOFOD-DEOSSOPVSA-N 423.557 2.554 0 50 HFAA COc1ccc(OCC2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)cc1 1704329352 SCOOTDXKHFBCGV-UHFFFAOYSA-N 411.502 2.858 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CN(C(=O)c3ccncc3)C[C@]2(CO)C1 1772809656 ZNKAASTWQUTQQO-IIBYNOLFSA-N 414.893 2.642 0 50 HFAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)CSC)C[C@]2(CCc2ccccc2)C1 1772819232 HQJAJGLNCJZGEL-PZJWPPBQSA-N 424.632 2.873 0 50 HFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC(OCc2cccnc2)CC1 1857714410 SYZMGQHDCIFIST-UHFFFAOYSA-N 402.520 2.505 0 50 HFAA O=C(c1cccc2c1NCCC2)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857722428 HWJTUTCJXDEBRS-ROKPMTFOSA-N 403.482 2.959 0 50 HFAA CC(C)(C)[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](c2ccccc2)O1 1875242942 IVUKQUBEWPVIKS-RBUKOAKNSA-N 402.516 2.962 0 50 HFAA CN(C)c1cc(-c2nc(-c3cnc(N4CCNCC4)cn3)no2)cc(C(F)(F)F)c1 1875334845 HQXHRHCREGMXHB-UHFFFAOYSA-N 419.411 2.688 0 50 HFAA Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1875340055 JIVLVVGDUNBAAL-PLACYPQZSA-N 408.550 2.962 0 50 HFAA O=C(NC1(C2CC2)CCOCC1)[C@H]1CCC[C@@H](C(=O)NC2(C3CC3)CCOCC2)C1 2325737684 GJIFVTLXJDKUOU-HDICACEKSA-N 418.578 2.944 0 50 HFAA C[C@@H](OC(=O)[C@H]1CC[C@H](N=c2cncc[nH]2)CC1)C(=O)c1ccc2c(c1)CCC(=O)N2 2325850399 XDLVXUGJPSDUHC-IIDMSEBBSA-N 422.485 2.569 0 50 HFAA CCN(C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)c1ccccc1 4757916 QRLBNCAXEBNIKL-UHFFFAOYSA-N 419.481 2.736 0 50 HFAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1c(OC)cccc1OC)CC2)C(C)C 12037315 OYABREOZZOYDOQ-NRFANRHFSA-N 415.538 2.577 0 50 HFAA COc1ccc(CNC2CCOCC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12703416 HRJMHZLCCGOLKM-OAQYLSRUSA-N 406.567 2.970 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccccn2)CC3)cc1 14753650 JAEOSVRUJYXCEM-UHFFFAOYSA-N 408.502 2.562 0 50 HFAA COc1cc(C[C@@H](C)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ccc1O 15001825 KJTMDWVMUNTXIZ-MRXNPFEDSA-N 415.538 2.646 0 50 HFAA COc1cc(OC)c(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c(OC)c1 39379598 BTAIRJLACQBYSQ-LJQANCHMSA-N 400.519 2.781 0 50 HFAA Cn1cc(N2CCC[C@H](N3CCN(C(=O)CC/C=C/c4ccccc4)CC3)C2=O)cn1 170593267 NSTBXXXSNZXQGS-FNNZQJQASA-N 421.545 2.553 0 50 HFAA CCN(CC)CCc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 170612073 RNBNBKPHLZYHDQ-QFIPXVFZSA-N 403.615 2.964 0 50 HFAA COC(=O)c1nc(NC(=O)[C@H](NC(=O)c2cccnc2)c2ccccc2)sc1C 206240865 SVUYVUCGCXNQHU-MRXNPFEDSA-N 410.455 2.743 0 50 HFAA NC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O 253394630 AETXLWVGSXFUOM-SFHVURJKSA-N 407.470 2.887 0 50 HFAA biogenic CC(=O)N1CCN(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC12CCCCC2 448062578 CUEBMUADBXCJSC-QGZVFWFLSA-N 403.527 2.713 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccncc1)C[C@@H]1CCCO1 952976603 WZBMSSMPJBBZGC-KRWDZBQOSA-N 404.488 2.613 0 50 HFAA CO[C@H]1CN(C(=O)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1Cc1cc(C)no1 1704299299 QAWVVJDZZSINDI-KDOFPFPSSA-N 405.882 2.990 0 50 HFAA COc1cc(Oc2cc(C(=O)N3CCC[C@@H](CO)C3)ccc2OC)ccc1CN 1857689279 MERGESOLVUXUAD-OAHLLOKOSA-N 400.475 2.799 0 50 HFAA O=C(c1cnc(-c2ccccn2)nc1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857719575 PWKBBGJFAFAEKO-VGSWGCGISA-N 411.465 2.762 0 50 HFAA Cc1ccc(OCC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1C 2356142337 NXJAQKJUPVYEQA-YOSAUDMPSA-N 414.546 2.969 0 50 HFAA O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1cccc(Cl)c1 1062450 IIFFBRAAJMQWBO-UHFFFAOYSA-N 401.875 2.883 0 50 HFAA O=C(COc1ccc(I)cc1)NCc1nc2ccccc2[nH]1 4625732 FXQMSXFEXQNYTH-UHFFFAOYSA-N 407.211 2.863 0 50 HFAA O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21 4992939 FIROCMSGTXYMAU-HNNXBMFYSA-N 418.453 2.650 0 50 HFAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2n1 5613957 DHGBTHANCIVBDT-UHFFFAOYSA-N 413.474 2.829 0 50 HFAA CC1CCN(c2nn3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cnc3s2)CC1 8602978 ATNSFQXCKYGAHH-UHFFFAOYSA-N 417.922 2.971 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1 11697971 FHPWZCOCYDZLSP-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA CN(Cc1nccn1C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12433466 OSOJLZKBZCNDJV-HNNXBMFYSA-N 408.424 2.836 0 50 HFAA COc1cccc([C@H](C)N(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)c1 15073252 NGCWJOGPMHRMJG-SFHVURJKSA-N 414.554 2.913 0 50 HFAA CN1CCCN(C(=O)c2nc3sccn3c2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 20110063 IZMGRFCBYIGYLQ-FGTMMUONSA-N 413.591 2.865 0 50 HFAA Cc1noc(C)c1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77391752 LONOGFHDDTUGKD-GJPOJAMWSA-N 413.518 2.755 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 138569614 WXYBLGXSEWWAIE-UHFFFAOYSA-N 415.515 2.530 0 50 HFAA COc1cccc(CNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)c1OC 169778356 UTWIPCRWFIBIJH-UHFFFAOYSA-N 424.501 2.566 0 50 HFAA O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 170640718 KCXZLIBUKSOGGU-UHFFFAOYSA-N 417.387 2.904 0 50 HFAA O=C(O)CC[C@@]1(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCC(=O)N1 218675613 YDANIAWCDOOBOU-QFIPXVFZSA-N 404.482 2.901 0 50 HFAA COc1ccc(-c2nn3ccn(C[C@H]4COc5ccccc5O4)c(=O)c3c2CO)cc1 263616013 GLRJSKMACKBFOV-KRWDZBQOSA-N 419.437 2.504 0 50 HFAA CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 299783367 YMGZQQWQEAWHAU-SIKLNZKXSA-N 400.482 2.620 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N(C)[C@H](C)CC(N)=O)csc3C2)nc1 426693776 OLHUESRKRVQMEI-CQSZACIVSA-N 400.548 2.600 0 50 HFAA COc1ccc([C@]2(C)NC(=O)N(CCCS(=O)(=O)c3cccc(C)c3)C2=O)cc1 463408537 FYZBXRIGDLEVKM-NRFANRHFSA-N 416.499 2.635 0 50 HFAA COc1ccc2[nH]c(C(=O)Nc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)cc2c1 466988679 RIYDEMHCHJWVGG-AWEZNQCLSA-N 402.476 2.602 0 50 HFAA C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)C[C@@H](CO)O1 787471470 MMKZMXIFCATMLD-RDJZCZTQSA-N 420.465 2.895 0 50 HFAA Cn1c(=O)oc2cc(S(=O)(=O)NCCCc3nc4ccc(Cl)cc4[nH]3)ccc21 825573833 RYFFOOJVKSNORI-UHFFFAOYSA-N 420.878 2.572 0 50 HFAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@H](C)c1nnc(N)s1 1506398533 DBFYBFVMXGDJAX-RXMQYKEDSA-N 423.398 2.735 0 50 HFAA CCCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CCC2(CC1)CNC(=O)CCO2 1857726667 BLZIEXZYPNPJEP-SFHVURJKSA-N 412.534 2.838 0 50 HFAA Cc1nc(-c2cn([C@H](C)CNC(=O)[C@]3(C)CC(c4ccccc4)=NO3)nn2)cs1 1875355069 YXFHTFNIVKMZCU-XCLFUZPHSA-N 410.503 2.971 0 50 HFAA CC(C)(C)[C@H](CNC(=O)Cc1nc(C2CC2)cs1)NC(=O)[C@@H](O)c1ccccc1 1875361072 PDUKNZJBJOYWPJ-PXNSSMCTSA-N 415.559 2.944 0 50 HFAA O=C(COc1ccc2oc3ccccc3c2c1)N[C@@H](C(=O)O)[C@H](O)c1cccnc1 2325861515 SCZFQABNNPXWMX-NHCUHLMSSA-N 406.394 2.663 0 50 HFAA COc1nc2c(cc1C(=O)N1CCC[C@]3(CCc4cnc(N(C)C)nc43)C1)CCC2 2356146784 VILACYFPPTWCOT-QHCPKHFHSA-N 407.518 2.555 0 50 HFAA O=C(O)CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 2271099 WPQDFJGVKTXNCS-SDNWHVSQSA-N 421.247 2.794 0 50 HFAA O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1 2983262 XHHGICRKFOUSQV-YADHBBJMSA-N 416.477 2.840 0 50 HFAA COc1ccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 2985703 IFMKOVCJSMOSKK-OAHLLOKOSA-N 408.545 2.758 0 50 HFAA CC1CCN(C[C@H](O)COc2ccc(OC[C@H](O)CN3CCC(C)CC3)cc2)CC1 4714303 PQWUJLKTIKKLKM-SZPZYZBQSA-N 420.594 2.630 0 50 HFAA CC[C@H](C)CC(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 12035091 PXMNMSVHHDXCGL-FDDCHVKYSA-N 422.614 2.950 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1nonc1C 12229030 MICPVXUWHFYADW-IBGZPJMESA-N 400.523 2.732 0 50 HFAA O=C1CCC(C(=O)N2CCC([C@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)=NN1 12760080 YIPKDYJLAAVNSI-KRWDZBQOSA-N 402.926 2.667 0 50 HFAA Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)CN1CCOCC1 20026783 CHYCFRZVTJOEHL-UHFFFAOYSA-N 416.485 2.832 0 50 HFAA Cc1nc(N(C)C)nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C 91365251 KYAMKIOVVDJMCX-GOSISDBHSA-N 401.555 2.547 0 50 HFAA C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 252506163 RCJZEOFAUUSDOA-UWWQBHOKSA-N 411.468 2.853 0 50 HFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCN(c2ncnc3ccccc23)CC1 827654441 LFIPCGUGPMKDAL-OAQYLSRUSA-N 402.502 2.511 0 50 HFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)C[C@@H]21 1704313069 MGXDGIPVVXLDJZ-ZQWRNJAYSA-N 400.500 2.967 0 50 HFAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCc1ccccc1)Cc1cccnc1 2325705244 URRVDENXKWEMIU-UHFFFAOYSA-N 414.465 2.769 0 50 HFAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCCS1 2325876308 QPBNSFSFLUXGAF-NOCIGQNYSA-N 415.559 2.799 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4c(n3)N(C)CC4)CC1)OCC2 2356161424 VNRYIXNDHKBBDY-UHFFFAOYSA-N 423.513 2.795 0 50 HFAA Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(Cl)cn2)c1 796576 KBFXCWMUZGBXNN-UHFFFAOYSA-N 401.879 2.902 0 50 HFAA COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1169717 AMFKELNZDHDBQP-UHFFFAOYSA-N 416.421 2.796 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccccc1 1194134 HPZGNLDRYXWECY-LVSKKATPSA-N 420.490 2.504 0 50 HFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 2639359 HEPMHFMDPZLJHO-UHFFFAOYSA-N 411.483 2.797 0 50 HFAA C[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)Cc2cc(F)ccc2F)CC3)C[C@@H](C)O1 12281084 JFKDVJGFFIRZRE-RVKKMQEKSA-N 406.473 2.772 0 50 HFAA Cc1c(C(=O)NCC(C)(C)CN(C)C)sc2ncnc(NC[C@H]3CCCO3)c12 14969576 RGJSDUXZDYEKLD-CQSZACIVSA-N 405.568 2.908 0 50 HFAA COCCNC(=O)c1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 19595141 DIXVYQIFVUBVGQ-UHFFFAOYSA-N 408.502 2.983 0 50 HFAA c1ccc(OCc2noc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 20920912 VJIPPGQIQZWRIP-UHFFFAOYSA-N 408.458 2.695 0 50 HFAA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 217796084 ZTZOKDDWFXARTO-CYBMUJFWSA-N 423.377 2.951 0 50 HFAA biogenic COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1 241316964 LWLUWIFGSNECBT-NHCUHLMSSA-N 409.596 2.653 0 50 HFAA O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccccn2)CC1 263619351 YICDYORZKONHID-GOSISDBHSA-N 424.892 2.560 0 50 HFAA CCCCCc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)s1 1506412770 OLVFRWWVCRASMI-MRXNPFEDSA-N 401.536 2.600 0 50 HFAA CC(C)(C)NC(=O)COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529180174 CCXQVOJTTZGZCO-FYYLOGMGSA-N 412.530 2.915 0 50 HFAA CN=c1ncc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)c[nH]1 1857699000 DRLDSXRKWLHPFO-OAQYLSRUSA-N 423.561 2.652 0 50 HFAA CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(Cl)cc4cn[nH]c34)cc2C1 1875362762 RKIJIXWFXLDJLX-UHFFFAOYSA-N 404.879 2.922 0 50 HFAA COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNc1ccc(Br)cc1 2325704982 IPYPQERITNXJOK-MRXNPFEDSA-N 409.255 2.901 0 50 HFAA CCN(C)c1cc(CN=c2cc(NCc3ccnc(N(C)CC)c3)nc[nH]2)ccn1 2325740740 RREMKRXTEYPILD-UHFFFAOYSA-N 406.538 2.825 0 50 HFAA CSc1c(F)cccc1NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819347 BUKGXSWNNAZCKT-UHFFFAOYSA-N 419.453 2.610 0 50 HFAA COC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cnc([C@H](C)O)s2)CCC(C)(C)CC1 2325828904 UYJGVISNTWPWJS-KKUMJFAQSA-N 421.563 2.607 0 50 HFAA CCc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 1094382 QPGHDJVYESWRPA-LJQANCHMSA-N 402.516 2.740 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 2695051 GXMUWFXTRXEMRW-UHFFFAOYSA-N 416.499 2.766 0 50 HFAA O=C1CCC(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 11699098 MOYHGSGQISJUIK-QGZVFWFLSA-N 418.497 2.588 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4cnsn4)CC3)c2)s1 11839881 ZBUDGYQGADOZQL-UHFFFAOYSA-N 414.516 2.856 0 50 HFAA COc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc(-n3cnnn3)c2)c1OC 11872820 RXYODNKOFNVLHM-GASCZTMLSA-N 423.473 2.596 0 50 HFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@]1(Cc2ccc(C)cc2)CCC(=O)N1 12054362 LQFWOLXYZDSWMF-SQJMNOBHSA-N 422.525 2.867 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 22863056 KSRADWTYAZTVCQ-QFIPXVFZSA-N 407.514 2.925 0 50 HFAA O=c1c2nnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(Br)cc1 71385031 ROZCCAYOEUBAEW-UHFFFAOYSA-N 411.141 2.605 0 50 HFAA Cc1cc(CNC(=O)[C@H]2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)on1 91690020 VKXPEKDDCPOGMI-NRFANRHFSA-N 422.573 2.943 0 50 HFAA CC1(C)SC[C@H](C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)NC1=O 97495471 BGEIBXXJXWRADE-GOSISDBHSA-N 401.507 2.802 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc1C 104356275 VCPJLXVWXYVIRZ-LJQANCHMSA-N 402.564 2.584 0 50 HFAA CN(C)c1nc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ns1 225423765 VALANDMAKIRCFB-UHFFFAOYSA-N 402.442 2.986 0 50 HFAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H]3OC)c2)cc1 225469141 YGKRECFUOHGAOJ-MOPGFXCFSA-N 404.488 2.793 0 50 HFAA COCCCn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 252498719 RJIZPUWHMJHXJC-UHFFFAOYSA-N 405.587 2.596 0 50 HFAA COc1ccc(C2=C/C(=C(\O)N=c3cc(C)[nH]n3[C@@H]3CCS(=O)(=O)C3)N=N2)cc1 334159306 XIWRGKJGIKIDHI-SLXLQXJBSA-N 415.475 2.628 0 50 HFAA Cc1oc2ncnc(O)c2c1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 755460816 KTWCOWASLVRENU-LLVKDONJSA-N 414.437 2.828 0 50 HFAA O=C(c1ccc(Cl)cn1)N1CCC[C@]2(C1)CN(c1ncccc1F)CC[C@H]2O 1857693334 RYIXVLWRFMDHNV-YLJYHZDGSA-N 404.873 2.763 0 50 HFAA COc1ccccc1CC(=O)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197920 BJELPDWGQDEIAY-XUZZJYLKSA-N 411.498 2.925 0 50 HFAA COc1ccc(Br)cc1-c1ncc(C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)s1 2325819157 WYRVEKHXGMRCEE-JQWIXIFHSA-N 422.304 2.684 0 50 HFAA CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 677009 HMVFHNQDXRMDMH-UHFFFAOYSA-N 418.515 2.848 0 50 HFAA CC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1cccc(C(=O)O)c1 754587 FXZOPUIQPGLDKV-UHFFFAOYSA-N 417.215 2.754 0 50 HFAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)sc1C 55386381 AQFNJHKKMVXPOK-INIZCTEOSA-N 424.929 2.559 0 50 HFAA CN(C)c1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1 169776311 REQWXRUMBAYFTH-UHFFFAOYSA-N 403.446 2.653 0 50 HFAA CO[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 254794608 GTGUHWWGEYLROW-UTRHCILUSA-N 418.530 2.710 0 50 HFAA COc1ccc(-c2cc3n(n2)[C@@H](NCCc2ccc(OC)c(OC)c2)CNC3=O)cc1 263619504 YZDBYQKTTXNNSQ-JOCHJYFZSA-N 422.485 2.650 0 50 HFAA COc1nc2c(cc1CNCc1csc(-c3cnccn3)n1)C(=O)N(C(C)C)C2 952973479 JASHZXHYOKHHLG-UHFFFAOYSA-N 410.503 2.658 0 50 HFAA CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)cc1 1780708957 ZLFTYWMBTWWXFM-HSZRJFAPSA-N 411.477 2.649 0 50 HFAA Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@@]12CCC(=O)Nc1ccccc1 1875307759 UNTAAILMAWFMFW-QHCPKHFHSA-N 415.453 2.826 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cc1 953241 YWAMWUYVNFBMMN-INIZCTEOSA-N 423.535 2.524 0 50 HFAA CCOC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 1060959 SOMSVKFJQFQRLT-SECBINFHSA-N 402.505 2.670 0 50 HFAA COc1cccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 2812769 QDKGUPKFEJRDGP-UHFFFAOYSA-N 422.572 2.819 0 50 HFAA O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 4867727 LNEDEQKMJIZILL-UHFFFAOYSA-N 412.870 2.533 0 50 HFAA COC(=O)c1ccc(NC(=O)CCS[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 4870114 RECLLZNHVIBGBF-KRWDZBQOSA-N 412.467 2.867 0 50 HFAA COc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 5578779 QEVXCGBKJXFNKF-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA COCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 11769656 DXEWWICPNORZMC-QHCPKHFHSA-N 400.563 2.910 0 50 HFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1cccnc1 11839670 VNDAGGDDJGBJDT-UHFFFAOYSA-N 417.469 2.586 0 50 HFAA Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)n(C)n1 11996217 QBOKVRLSBLPGQP-IBGZPJMESA-N 400.498 2.811 0 50 HFAA CSc1ccc(C[C@]2(CCC(=O)NCc3cn(C)nc3C)CCC(=O)N2)cc1 12158349 VJEILKIMFUOFRU-NRFANRHFSA-N 400.548 2.738 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2)CC1 12449442 ASKRDMROASVETA-HSZRJFAPSA-N 406.574 2.875 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2(c3ccccc3)CC2)cc1 12593377 WHZZJQKXTKFPFR-NRFANRHFSA-N 407.514 2.581 0 50 HFAA COc1cccc(C(=O)NC[C@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)c1OC 12746629 CPPFWGBOXGWDRY-QGZVFWFLSA-N 410.470 2.799 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 14240140 LKIGFVCJOCUNRC-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA Cc1ccn2c(CNCc3cn4cccnc4n3)c(C(=O)N3CCCCCC3)nc2c1 19842380 OMTZZXMDXGASLG-UHFFFAOYSA-N 417.517 2.991 0 50 HFAA C[C@@H](c1ccncn1)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55371595 XXTKQCHBLSSRNX-KRWDZBQOSA-N 413.547 2.902 0 50 HFAA COCCCn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)C1CCCC1 55575358 WHFBNECVRVMNCP-SFHVURJKSA-N 413.584 2.637 0 50 HFAA O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777782 WIXHXPZZVOLVCW-CYBMUJFWSA-N 400.389 2.961 0 50 HFAA CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239287478 CWIVIYHTEMEAKV-ZOCXKQACSA-N 422.481 2.635 0 50 HFAA O=C(NC[C@@H]1COCCO1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 241719786 QPPSNWWKGAVCLZ-AXUOBQJMSA-N 406.910 2.645 0 50 HFAA Cc1csc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)n1 244716049 LHKNBOLVUDWMEN-SHTZXODSSA-N 400.504 2.843 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2 252346764 AMOMZLKBRNIPHR-DBBLALLESA-N 422.412 2.522 0 50 HFAA O=C(CN1CCC[C@@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 252680143 WNNJNXUVTLDDFL-RTWAWAEBSA-N 422.566 2.791 0 50 HFAA O=C(NCc1ccncc1)c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2 263615336 BVJGYKZRGBRQFD-INIZCTEOSA-N 414.263 2.637 0 50 HFAA O=S1(=O)CC[C@H](NCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)C1 299802857 RFUWXGXDMOHFLM-HNNXBMFYSA-N 402.497 2.969 0 50 HFAA Cn1ncc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1Cc1ccccc1 446296816 WZRUQUQULQFIQZ-FQEVSTJZSA-N 418.497 2.860 0 50 HFAA CN(Cc1cc(-c2cccnc2)no1)S(=O)(=O)c1ccc2nc(O)sc2c1 952984994 ZSWUPBHVLCGCHT-UHFFFAOYSA-N 402.457 2.873 0 50 HFAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 1506414113 OHVCZZJMMRQXHA-CQSZACIVSA-N 408.495 2.767 0 50 HFAA O=C(Cc1ccc(O)cc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696859 OKYSBFKWTPHYPE-XMMPIXPASA-N 416.481 2.999 0 50 HFAA CCCS(=O)(=O)Nc1cc(NC(=O)c2cccnc2N2CCOCC2)ccc1C 2325744207 NOAUTCAFHFADSO-UHFFFAOYSA-N 418.519 2.631 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)C1 2325889314 JXGQYVSFXSVRGU-MRXNPFEDSA-N 418.925 2.749 0 50 HFAA C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1016034 AFRRCXZKHXCBMJ-OXQOHEQNSA-N 418.515 2.929 0 50 HFAA COc1ccc(NC(=O)C2(NC(=O)c3ccc(-n4cnnn4)cc3)CCCCC2)cc1 1068145 VVXYVZHKICZAEJ-UHFFFAOYSA-N 420.473 2.742 0 50 HFAA COCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 2861904 JTTRBFDPXWMICE-UHFFFAOYSA-N 404.532 2.839 0 50 HFAA COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 4905543 JVDFKWSEBSIEEV-UHFFFAOYSA-N 420.531 2.980 0 50 HFAA COc1cccc(CN2CCC[C@@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)c1 12022976 GPYFFQRTUYQLQU-HXUWFJFHSA-N 407.514 2.822 0 50 HFAA COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc(NC(=O)c2cc(C)nn2C)c1 12036250 FAGBKIAMOFQERX-SIXWZSSISA-N 422.485 2.596 0 50 HFAA CCOC(=O)CN(C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 14539680 NSGLDMFKJRAWRO-KRWDZBQOSA-N 404.555 2.517 0 50 HFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccc(Cl)cc3)C[C@@H]12 14540886 XLWSNHUJZGHVNO-YYWHXJBOSA-N 422.916 2.622 0 50 HFAA COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc(OC)c1 14992228 VSEIIJFCABZBSB-HXUWFJFHSA-N 415.538 2.577 0 50 HFAA CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCCCCC1 16648082 MKKQSKMKCAUCTB-OAHLLOKOSA-N 412.577 2.882 0 50 HFAA COC[C@H]1CCCCN1C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19841042 GSFYEBDKODTJSO-HXUWFJFHSA-N 412.534 2.634 0 50 HFAA O=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 20028919 NJXUVINDJZLGMJ-LJQANCHMSA-N 401.869 2.929 0 50 HFAA O=C1C[C@@H](C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)c2ccccc21 20783544 UPZPGHMZPPTFRB-OAQYLSRUSA-N 406.482 2.610 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@@H]4C2=O)cc1C 77555014 OLJWALIDDYWOPE-YPIYEQTHSA-N 423.538 2.701 0 50 HFAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)C(C)(C)C1 252670364 KINFFZRRZXVGPW-CGXNFDGLSA-N 420.642 2.772 0 50 HFAA CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1 328604040 IEROWBVOZRYALE-WMZOPIPTSA-N 406.508 2.942 0 50 HFAA CN1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2nnc(C3CC3)s2)CC1 886025177 BMUUUUPZNOCCSV-UHFFFAOYSA-N 404.471 2.586 0 50 HFAA Cn1nnc2c1CC[C@H](NS(=O)(=O)c1ccc3ccccc3c1Br)C2 1309628606 WSPZKHSPWHBKAJ-LBPRGKRZSA-N 421.320 2.567 0 50 HFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCCc1nc(-c2ccccc2Cl)no1 1772710876 UGTITRKOCVGJAL-KBPBESRZSA-N 402.882 2.934 0 50 HFAA COc1ccc(Cc2nc(-c3cn4cccnc4n3)n([C@@H]3CCOC3)n2)cc1OC 1772813946 CDNGCWZJQHXUDU-OAHLLOKOSA-N 406.446 2.557 0 50 HFAA CCCCc1ncc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)[nH]1 1857684622 VRTLNFADWWINIQ-OAHLLOKOSA-N 402.524 2.778 0 50 HFAA COC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1[C@@H](C(=O)OC)CC2 622246 BZQPMHRJWHCVHM-GXFFZTMASA-N 417.439 2.516 0 50 HFAA COc1cc(C(=O)NCCc2ncccc2C)ccc1OC1CCN(C(C)=O)CC1 12448055 GGIVUZHHARIZIZ-UHFFFAOYSA-N 411.502 2.761 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12583118 QYJIAQXDYCERQN-JOCHJYFZSA-N 417.481 2.586 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1 12596865 KHSXOFLSLMUXGI-IBGZPJMESA-N 404.507 2.726 0 50 HFAA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C1CCOCC1)CC2 14542133 MHICGKCSOXMRNW-UHFFFAOYSA-N 414.550 2.906 0 50 HFAA O=C1CN(Cc2cccnc2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 14751771 FQZHDPLEXCTYJD-QHCPKHFHSA-N 409.530 2.738 0 50 HFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cn(Cc2cccc(Cl)c2)nn1 14958365 FFRWQRZJKDTYCV-UHFFFAOYSA-N 409.837 2.697 0 50 HFAA Cc1nccc(N2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 82120652 LKKGPAIQGWZPMV-NRFANRHFSA-N 407.562 2.825 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccon3)C2)c(OC)c1 95504444 MBMASJBLHYLQNT-OAHLLOKOSA-N 401.463 2.641 0 50 HFAA CCOC(=O)N1CCN(CC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)CC1 226075193 SWOOPGKNVHQVGK-UHFFFAOYSA-N 401.507 2.998 0 50 HFAA COc1ccc(CC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 244763909 OXSLHLSDAXTKLM-HDICACEKSA-N 413.522 2.515 0 50 HFAA CCc1nc(CC(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)cs1 328607940 XPVJDELFNZKBLQ-MRXNPFEDSA-N 403.552 2.513 0 50 HFAA O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CO)C1 1772807301 LZMCGMDWGCKENS-XMSQKQJNSA-N 412.511 2.548 0 50 HFAA COC1(C(=O)N2CCCCCC2)CCN(C(=O)c2nc3cc(C)ccn3c2F)CC1 1857700943 DFAMBSWJCPSCBM-UHFFFAOYSA-N 416.497 2.806 0 50 HFAA O=C(N[C@H]1CCCC12CCN(CCn1c(=O)oc3ccccc31)CC2)c1ccon1 1857731914 TXZMAQPKFOLWMI-IBGZPJMESA-N 410.474 2.647 0 50 HFAA CCCn1nc(C)c(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)c1C 2356163541 ICIQQVQBUWZVQO-YADHBBJMSA-N 412.534 2.903 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1Br 1172834 VKOHYXWYEANMIQ-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCC3 2694950 NXAUCKNESREQPM-UHFFFAOYSA-N 415.496 2.991 0 50 HFAA CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 8262875 LGGXQUGQEGTTJR-GOSISDBHSA-N 421.497 2.713 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 20109716 MNZIFGMWSXTGLL-KRWDZBQOSA-N 404.894 2.939 0 50 HFAA CCN1CCN(C[C@H](O)COc2ccc(CNC3CCCCCC3)cc2OC)CC1 20513470 KZQOSMZXNOIAGR-QFIPXVFZSA-N 419.610 2.885 0 50 HFAA COc1cc(CN2CCN(Cc3cc(OC)ccc3F)C[C@H]2CCO)cc(OC)c1 39445453 PBGITDJTIKUAKX-LJQANCHMSA-N 418.509 2.920 0 50 HFAA COc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C 67630714 DOAOMBXCULUOFY-UHFFFAOYSA-N 416.437 2.702 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 71499071 XZLZFSKYPUFKLU-KRWDZBQOSA-N 407.445 2.964 0 50 HFAA O=C(c1ccc(Br)cc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72117757 YUFJODONJPWLHY-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)cc1O 104496425 IQICKZHZXSSQJO-GOSISDBHSA-N 405.926 2.826 0 50 HFAA O=C(N[C@@H](Cc1nnc[nH]1)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 170607721 NCAPUCKCACBPSR-FQEVSTJZSA-N 403.486 2.757 0 50 HFAA O=C(c1n[nH]c2ccccc2c1=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 170625166 CYEWFJBSYURIAM-MRXNPFEDSA-N 414.259 2.899 0 50 HFAA COc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239165052 NJODFZJMBFAOBI-OVYBAWALSA-N 420.387 2.601 0 50 HFAA CN(C)c1nccc(N2CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)n1 253416037 OJYKSBWVYAFTLE-UHFFFAOYSA-N 406.575 2.700 0 50 HFAA FC(F)(F)[C@]1(c2nc(-c3ccccc3)no2)CCN(Cc2nnc3n2CCOC3)C1 952893392 LNLUIYVWVLSINA-GOSISDBHSA-N 420.395 2.564 0 50 HFAA NC(=O)N1CCC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)C1 952981508 ZMNXOEDNKCAPQQ-KRWDZBQOSA-N 413.449 2.874 0 50 HFAA COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C(=O)c2cnc(C(N)=O)cn2)cc1 1772709387 GVSXIFHPNARMCV-OAQYLSRUSA-N 406.486 2.912 0 50 HFAA CSc1ccc2cc(CN3CCCN(C(=O)[C@@H]4CCCO4)CC3)c(O)nc2c1 1775978749 VJOIXXVKSFAGHB-IBGZPJMESA-N 401.532 2.876 0 50 HFAA Cc1cc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4c(C)c(C)nn4C)C3)C2)cc(C)n1 1857686374 STNHKGSZFJIZSI-NFBKMPQASA-N 411.550 2.542 0 50 HFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 1857738151 TVNLUQUELPGAOI-HNNXBMFYSA-N 419.551 2.889 0 50 HFAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1c[nH]c2ccc(OC(C)C)cc12 1875261534 NIXSMGBWXVQPQD-UHFFFAOYSA-N 417.487 2.541 0 50 HFAA C=CC(=O)N1CCC(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 1875369487 RDTLIFNFDAZCBM-QHCPKHFHSA-N 400.519 2.827 0 50 HFAA O=C(CCn1ccccc1=O)N1CC[C@]2(C1)C(=O)N(CC1CCC1)c1ccccc12 2100544733 HESYAGZOJXIRLZ-XMMPIXPASA-N 405.498 2.555 0 50 HFAA CC1=CC2(CCN(C(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)CC2)OCC1 2356154088 HRWDHEGZNGBUKW-UHFFFAOYSA-N 410.518 2.751 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1F 2356163568 JBNIQECJCQLHDN-DRSNIGMVSA-N 404.482 2.735 0 50 HFAA O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1055998 LEKXKGCIKWYTRP-UHFFFAOYSA-N 415.334 2.657 0 50 HFAA CCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 4852429 PXFNODPPRWJDBM-UHFFFAOYSA-N 408.545 2.760 0 50 HFAA NC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(O)c(Br)c1 5063481 KXIXMOFFRYRLFW-HNNXBMFYSA-N 404.289 2.570 0 50 HFAA C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)ccc2N1C(=O)C1CC1 6941780 YBYAKHRUQHEFGG-HNNXBMFYSA-N 418.559 2.987 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)N2CC[C@H](c3ccccc3F)C2)CC1 11774967 KPDVYOWFCNJWIL-SFHVURJKSA-N 414.529 2.840 0 50 HFAA O=C(NCc1cccnc1)C1CCN(C2CCN(C(=O)C3=CCCCC3)CC2)CC1 12434544 LDRLVMQPSZWUPU-UHFFFAOYSA-N 410.562 2.901 0 50 HFAA O=C1CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1 13847196 MWYXFELZIZUTFO-UHFFFAOYSA-N 421.478 2.867 0 50 HFAA Cc1c(N(C)C(=O)c2cncc(Br)c2)c(=O)n(-c2ccccc2)n1C 16623890 WLXCTNNFSIKMEY-UHFFFAOYSA-N 401.264 2.919 0 50 HFAA CN1Cc2ccccc2C[C@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn12 20364082 BHRNUPTYGZIEPY-FQEVSTJZSA-N 403.530 2.717 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3[C@@H]3OC[C@H]2[C@@H]3CO)OCO4)cc(OC)c1OC 28218754 GAPFRQMOPFLDIS-YJPXFSGGSA-N 400.427 2.883 0 50 HFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCCO2)C12CCCCC2 49543798 ZZQHTMSZVCPXIA-XLIONFOSSA-N 400.519 2.871 0 50 HFAA biogenic O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1 82087496 CGTLHOPBFVSSKO-FQEVSTJZSA-N 408.546 2.690 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 82167055 GHCLIIOAIDRXBV-OAQYLSRUSA-N 412.578 2.981 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccon3)C2)c(OC)c1 95504443 MBMASJBLHYLQNT-HNNXBMFYSA-N 401.463 2.641 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4cccs4)CC3)n[nH]c2=O)cc1 169779295 AXLZRHHGCLEPRD-UHFFFAOYSA-N 412.515 2.639 0 50 HFAA CC(=O)N1CCN(Cc2cccc(NC(=O)c3cnn(-c4ccccc4F)c3)c2)CC1 170602469 OTFQHSCTAZBDHO-UHFFFAOYSA-N 421.476 2.928 0 50 HFAA CCc1cc(NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)nc(N2CCOCC2)n1 1704280034 KGMNYARHUQIXHD-RGMRCXJASA-N 409.538 2.627 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)cc2)n1 1704345444 YIVOWXPNRNYOLT-OFNKIYASSA-N 410.518 2.559 0 50 HFAA Cc1ccn2c(C(=O)N3CCCN(C4CSCCSC4)CC3)c(C)nc2c1 1775981589 GOGNZTFMKYYKMG-UHFFFAOYSA-N 404.605 2.948 0 50 HFAA C[C@@H]1CN(C(=O)Nc2cccc3c2CN(C)C3=O)CCN1C[C@@H](O)c1ccccc1 1875309150 UMSLDJYRZZQPGI-IIBYNOLFSA-N 408.502 2.544 0 50 HFAA COC(=O)[C@@](C)(CNC(=O)C[S@](=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875327932 QCAMFRNCMSADAT-PPHZAIPVSA-N 411.882 2.834 0 50 HFAA O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 692087 XLDHSLHHVQBYGG-INIZCTEOSA-N 406.529 2.875 0 50 HFAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCC2)cc1 857075 ZQPOAPKNMCZSJC-UHFFFAOYSA-N 402.516 2.551 0 50 HFAA CCOC(=O)COc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1 1424648 RTJFKYWNDYMNHC-UHFFFAOYSA-N 415.837 2.574 0 50 HFAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 2841676 WUSFYODZMIWRPE-UHFFFAOYSA-N 404.488 2.658 0 50 HFAA O=C(O)CCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CCC(=O)O)ccc3[nH]2)cc1 3186871 ZEGTXPHFJGJLJN-UHFFFAOYSA-N 424.413 2.837 0 50 HFAA NC(=O)c1nc(-c2ccc(F)c(F)c2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 5151471 UKUCWQVOKCRRTO-UHFFFAOYSA-N 401.760 2.806 0 50 HFAA CCCCn1c(CN(C)C[C@@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)CC1CCC1 11820435 RJTDWSNHRYFCJD-SFHVURJKSA-N 424.611 2.557 0 50 HFAA CC[C@H](NC(=O)c1ccccc1OC1CCN(C(=O)COC)CC1)c1ccncc1 12194301 MLZNGRYEQPYBIF-FQEVSTJZSA-N 411.502 2.979 0 50 HFAA CCN(CC)C(=O)Cn1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)nn1 12711000 MNIJYPRCYBSTNC-GOSISDBHSA-N 409.490 2.692 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC(F)(F)F 15065697 CQCJNOXKMQJNGX-LJQANCHMSA-N 419.447 2.688 0 50 HFAA O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCSCC1 16606344 GZUFEPVOFUMZRF-UHFFFAOYSA-N 423.387 2.970 0 50 HFAA Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccn3)CC2)c(CC2CCCC2)n1C 20109472 NMSHXQLCBUVMQY-UHFFFAOYSA-N 408.546 2.779 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 20916447 HTZNREHTAVBMFI-INIZCTEOSA-N 409.914 2.807 0 50 HFAA CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38530518 YHPDFMSEMBBIKJ-UHFFFAOYSA-N 409.534 2.573 0 50 HFAA O=C(NCCc1cccs1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 40266604 VVADNKLLTUGOGY-LBPRGKRZSA-N 424.452 2.780 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 49621364 UORQTDMLOKPOTL-UHFFFAOYSA-N 408.502 2.949 0 50 HFAA O=C(c1ncccc1O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72170476 YRMRDAOFERASDO-SFHVURJKSA-N 400.910 2.867 0 50 HFAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@H](C)CC4)[nH]c3=O)nc2s1 77565005 MCCMXWNTIIOCEH-CQSZACIVSA-N 413.547 2.945 0 50 HFAA COC(=O)[C@H](CC(F)(F)F)NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 225609108 IKQMBYQBGKQKLA-AWEZNQCLSA-N 415.364 2.653 0 50 HFAA Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 225846603 MBWMPEIQUJKFIA-SFHVURJKSA-N 406.534 2.743 0 50 HFAA CCC1(CC)[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@H](C)[C@H]1OC 252477462 OITPDAJFLLAKGX-JCURWCKSSA-N 403.566 2.745 0 50 HFAA CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)[C@H]3C[C@@]34CCOc3ccc(F)cc34)CC1)C2 328604257 JDQUHFOOXRHPNZ-HVDAFXPBSA-N 413.537 2.635 0 50 HFAA CS(=O)(=O)c1cccnc1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 1456336767 JMOHYCVEJXNQCW-ZDUSSCGKSA-N 413.421 2.513 0 50 HFAA Cc1c(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)nnn1-c1ccc(F)c(Cl)c1 1775988947 SYRJEDLUWHXXCL-MJGOQNOKSA-N 421.904 2.727 0 50 HFAA Cc1ccc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)s1 1857703384 JYGVUKQGFCEMBK-NRFANRHFSA-N 400.548 2.869 0 50 HFAA CCn1c(O)nc2cc(C(=O)Nc3cnn(-c4ncccc4Cl)c3)ccc2c1=O 1875254344 GHZWQPWSXUBMJD-UHFFFAOYSA-N 410.821 2.608 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N[C@H](COc1ccccc1)c1ccccc1 1875256503 AQCQQQWDSAPOHC-HXUWFJFHSA-N 417.469 2.595 0 50 HFAA Cc1cc(Cl)cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(F)ccc(C)c3F)C2)c1 1875310186 HXYNOGZRBZFFLV-HZPDHXFCSA-N 408.832 2.850 0 50 HFAA CNC(=O)c1cccc(NC(=O)[C@@H]2CCN(C(=O)COc3ccccc3Cl)C2)c1 1875390339 XAULIGWLICGKMS-OAHLLOKOSA-N 415.877 2.566 0 50 HFAA COc1ccc(Cc2n[nH]c(=NC(=O)c3nn(C)c4ccccc34)s2)cc1OC 2100483673 ITOXIYHSKLDACM-UHFFFAOYSA-N 409.471 2.707 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccnnc4)C3)[C@@H]3CCCC(=O)N23)c1 2356143279 BHHNKMZLNBTCIR-WAGURGNTSA-N 420.513 2.570 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2n1 2781384 NPMKARLPTSLAKF-QWRGUYRKSA-N 422.411 2.706 0 50 HFAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCC(Cc2ccccc2)CC1 4680790 NSHFYBFEVVAZRZ-UHFFFAOYSA-N 414.571 2.972 0 50 HFAA CN(CCc1ccccn1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 11663020 XYKDXSQXLNQNRX-UHFFFAOYSA-N 404.430 2.544 0 50 HFAA Cn1cc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cn1 11821359 AVXMYFDWNNSDLQ-UHFFFAOYSA-N 405.502 2.789 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2nonc2C)O3)n1 12031236 JGQCGZPXEYLKCM-LBPRGKRZSA-N 417.878 2.944 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CCN(C(=O)c1cn[nH]c1)C2 12080180 ASTLWDQVHMTIRG-BQYQJAHWSA-N 401.470 2.641 0 50 HFAA CCOCCCN1C(=O)CC[C@@H]2CN(Cc3cc(OC)c4c(c3)OCO4)CC[C@@H]21 12100411 QXLSINWKRJNEDN-MSOLQXFVSA-N 404.507 2.663 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@H]2CC24CCCC4)CCO3)CC1 14889081 XIPQCAAXYZQUDG-OAQYLSRUSA-N 411.546 2.652 0 50 HFAA COc1ccc(CN(C)C(=O)COc2ccc(N3CCCC3)nn2)c2cccnc12 14966801 PXWMVQPPFXBMQD-UHFFFAOYSA-N 407.474 2.671 0 50 HFAA CCn1ccnc1CN1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 15064787 IFPQGNZFBXRPQG-NRFANRHFSA-N 409.578 2.896 0 50 HFAA Cc1ncsc1CCCNCc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 19145973 HSTHFRQIKGKZNN-UHFFFAOYSA-N 413.547 2.602 0 50 HFAA CC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 35742185 XLUFSRDHEIAJIY-UHFFFAOYSA-N 417.531 2.662 0 50 HFAA O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528373 LLXQUWKZUNBEBS-UHFFFAOYSA-N 415.925 2.848 0 50 HFAA COC(=O)CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 39436894 LVZVMJUAIOBZEX-UHFFFAOYSA-N 408.502 2.562 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@H]1CC(=O)N1CCc2ccccc2C1 55041914 PBPUWLNWBFUDIB-FQEVSTJZSA-N 415.896 2.755 0 50 HFAA CN(C)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C[C@@H]1O 72425883 GREAPTIRAPNZAB-HOTGVXAUSA-N 419.407 2.929 0 50 HFAA O=C1C[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 95496458 NJXUVINDJZLGMJ-IBGZPJMESA-N 401.869 2.929 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)n1 104478473 KZZMHVHGELUNNM-HSZRJFAPSA-N 409.509 2.784 0 50 HFAA COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(F)cc(Br)c2O)c1 170606234 RTCFOUFFZXNDFM-CQSZACIVSA-N 414.227 2.774 0 50 HFAA CC(C)C[C@H](C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)N1CCCCC1=O 225470454 JCCRZVRPZVBITI-FGTMMUONSA-N 407.555 2.739 0 50 HFAA CCOc1cc2c(c3[nH]c(C(=O)N(CC)[C@@H]4CCS(=O)(=O)C4)cc13)O[C@@H](C)C2 225534174 SVRCBUKYLNRBSY-GXTWGEPZSA-N 406.504 2.539 0 50 HFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCCC3)c[nH]c2c1 245254867 CVVAMRVBJQYEBK-GPMSIDNRSA-N 411.458 2.995 0 50 HFAA CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@H](CO)OC[C@H]3C)cc2)cc1 252477443 OBBSAAAUDXLCMQ-DNVCBOLYSA-N 407.488 2.648 0 50 HFAA CCOc1c(I)cc(C(=O)O)cc1I 252499089 RVHJWUJWRPUGQC-UHFFFAOYSA-N 417.968 2.993 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCC[C@]4(CN(C)C(=O)O4)C3)n2)c1 426489327 GYGXXAMDTAEPNA-NRFANRHFSA-N 414.462 2.511 0 50 HFAA CCC[C@@H]1[C@H](C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 464180807 HNIYUJQZTXAPJN-GDBMZVCRSA-N 400.566 2.810 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 952976823 USHVBIQVNMCSHN-ZDUSSCGKSA-N 411.849 2.921 0 50 HFAA CN1CCC[C@]2(CO)CCN(c3nnnn3-c3ccc(Oc4ccccc4)cc3)C[C@@H]12 1704333676 CVINHNAEEIZUCN-FYYLOGMGSA-N 420.517 2.738 0 50 HFAA Cc1ccc2oc(N3CCC(C(=O)NC[C@H]4COc5ccccc5O4)CC3)nc2n1 1857709375 UMJUYDLPUJBDEB-INIZCTEOSA-N 408.458 2.704 0 50 HFAA C[C@H](NC(=O)[C@H](Cc1cn(-c2cncc(C(=O)O)c2)nn1)C1CC1)c1cccc(F)c1 1875327101 RBWFGQOMOOSNKK-RNODOKPDSA-N 423.448 2.946 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)N(C)Cc3nn(C)cc3Br)ccc21 1875372192 ZCPUNWQBFQPVBM-UHFFFAOYSA-N 417.307 2.920 0 50 HFAA O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1sccc12 2356136027 DGLHQQTXBJNVEX-CYBMUJFWSA-N 403.529 2.648 0 50 HFAA Cc1c(N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1232300 CZBRGIQLLRWLSK-AWEZNQCLSA-N 409.676 2.678 0 50 HFAA CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C(C)=C1C(=O)OC 2877412 CCSIZLRBUSDRPG-KRWDZBQOSA-N 402.369 2.676 0 50 HFAA C[C@H](Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1)C(=O)NC1CCCCC1 4414060 GQINSZXXGHPMAX-INIZCTEOSA-N 417.531 2.776 0 50 HFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 8396412 KEZBBDOURSYBEM-LBTPYSACSA-N 417.224 2.889 0 50 HFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(C)n2)CC1 12199757 NMNYPZWQGBDQCM-UHFFFAOYSA-N 413.518 2.818 0 50 HFAA Cc1ccn2cc(CNC(=O)c3cn(CC(C)C)cc(C(=O)NC(C)C)c3=O)nc2c1 12219231 CAUQCHNTFFXWCS-UHFFFAOYSA-N 423.517 2.529 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H]2c2ccccc2OC)n1CCOC 12433883 CVVDRWFFGRYJBD-GOSISDBHSA-N 407.536 2.669 0 50 HFAA Cc1n[nH]c(C)c1CN(C)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 15041885 UMHKXXCVHJHKRB-BETUJISGSA-N 416.551 2.617 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1F 16622210 WREDLOBRCKQHDZ-UHFFFAOYSA-N 415.446 2.960 0 50 HFAA Cn1ccnc1CN1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 19853388 OFIFJTUYYKEXIM-UHFFFAOYSA-N 420.439 2.731 0 50 HFAA CCOC(=O)c1cnn(-c2ccccc2C)c1CN1CCC[C@@H](c2nncn2C)C1 20920832 DRAVDBOFIQAJAH-QGZVFWFLSA-N 408.506 2.866 0 50 HFAA Cc1nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)cc(N2CCCC2)n1 65363964 KKZMOBKYMXISPF-UHFFFAOYSA-N 403.552 2.701 0 50 HFAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cs1 82138331 URKXBRXRFLQOHL-SFHVURJKSA-N 413.591 2.839 0 50 HFAA COc1cccc(CC(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)c1 169764138 LEVLIHZZFRKRTD-UHFFFAOYSA-N 414.893 2.944 0 50 HFAA CC[C@H]1CN(CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](CC)CN1CC(C)(C)O 170607315 AYBBIUXAAWOESG-MSOLQXFVSA-N 407.555 2.588 0 50 HFAA CCC1(CC)NC(=O)N(CC(=O)Nc2cc(Br)c(Cl)cn2)C1=O 225762725 NZPWRHZMPJHXNA-UHFFFAOYSA-N 403.664 2.547 0 50 HFAA CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]1C 226821018 AKUCMKAPHCGRFV-GVVDHYSOSA-N 412.530 2.941 0 50 HFAA COCCn1c([C@@H](C)NC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 252492531 MONOESRXGAIOCL-SJORKVTESA-N 408.506 2.567 0 50 HFAA Cn1c([C@H]2CCCCN2C(=O)CCCNC(=O)c2cnccn2)nc2ccccc21 253399839 DIQGRSSKNAJKGA-LJQANCHMSA-N 406.490 2.627 0 50 HFAA Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N1CCC2(CCNC(=O)O2)CC1 1466395064 OTVWLJOSQOZDTE-UHFFFAOYSA-N 405.405 2.862 0 50 HFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CCCc1nc(-c2cccnc2)no1 1506399963 RTERHILBGODSKD-HXUWFJFHSA-N 405.502 2.969 0 50 HFAA COc1ccc(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1Cn1cncn1 1506405642 BIXJMAXDEJCNLW-QFIPXVFZSA-N 401.474 2.601 0 50 HFAA CN1CC[C@]2(C(=O)NCc3ccc(Cl)cc3)CCCN(Cc3cnc[nH]3)[C@H]2C1 1857692886 YQZANOUAHATXCQ-PZJWPPBQSA-N 401.942 2.666 0 50 HFAA O=C(CCc1ccncc1)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)CCO2 1857719623 QZFWXQNWBQIROC-UHFFFAOYSA-N 407.514 2.825 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 1875365398 XECQVGCBDKZAGS-HNNXBMFYSA-N 410.301 2.640 0 50 HFAA Cc1ccc(-n2cc(S(=O)(=O)N(C)C3CCN(c4ccncc4)CC3)cn2)cc1 2325736026 IVICNDYHCVTJLH-UHFFFAOYSA-N 411.531 2.865 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)NCc3nn(C)cc3Br)ccc21 2325889625 AIMJRZJZIHIDGO-UHFFFAOYSA-N 403.280 2.578 0 50 HFAA Cc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1Cl 4741142 WUDPWTQIKURYGW-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)/C=C\c3cccc(F)c3)C2)nn1 11911064 AGBLAXSNZXBVFR-LENZSSGSSA-N 413.497 2.851 0 50 HFAA Cc1nc2sccn2c1CN1CCC2(CC[C@@H](CNC(=O)[C@H]3CCCO3)O2)CC1 11963991 CYHMBBRZRSGWOO-FUHWJXTLSA-N 418.563 2.513 0 50 HFAA O=C1CCCN1CCNCc1cc(Cl)ccc1OC[C@H](O)CN1CCCCCC1 12206122 FDJFLXNPTXRCJH-HXUWFJFHSA-N 423.985 2.668 0 50 HFAA CCn1cc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)c(C)n1 12440502 PUDMUVNABBAMEZ-GOSISDBHSA-N 400.523 2.627 0 50 HFAA Cc1ccc(C)c(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 15001705 ZVWORKOXRAYQSS-UHFFFAOYSA-N 400.544 2.812 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)C2CCN(C)CC2)n1Cc1ccccc1 20149054 SROQJQSDJUKRRT-UHFFFAOYSA-N 418.607 2.887 0 50 HFAA c1ccc(N2CCN(Cc3nnc4sc(-c5ccc6c(c5)OCO6)nn34)CC2)cc1 65365931 SDQVMCMWCGETTD-UHFFFAOYSA-N 420.498 2.904 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CC[C@H](CO)C1 67896447 YVPCETRNDJQUJJ-KRWDZBQOSA-N 406.530 2.690 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)c1 170596683 PXTCOCZHRWMEHS-GOSISDBHSA-N 424.563 2.552 0 50 HFAA COc1ccc(CCNC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 253411278 OKUDCTRHKQECHQ-UHFFFAOYSA-N 424.497 2.817 0 50 HFAA biogenic C[C@H](Oc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 253431684 STGSMKLAKTWIFK-GUYCJALGSA-N 403.276 2.916 0 50 HFAA Cc1nc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cs1 299780300 UOCANWFQCRGIFI-UHFFFAOYSA-N 400.548 2.683 0 50 HFAA CCOc1c(OC)cc(CN[C@H](Cc2ccc3c(c2)OCO3)C(=O)O)cc1OC 426788146 KTFSWJPLYWQDAK-OAHLLOKOSA-N 403.431 2.617 0 50 HFAA Cn1ncc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1Cc1ccccc1 469763136 GAMXFWKZVAXNQH-OAQYLSRUSA-N 404.514 2.508 0 50 HFAA CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 496446464 BTFXKRFEJDQDSS-XQFWAAQXSA-N 411.546 2.892 0 50 HFAA Cc1ccccc1[C@H](Cc1nc(-c2ccc(N3CCOC3=O)cc2)no1)NC(N)=O 761747756 BGMWWYOPYAEPGP-KRWDZBQOSA-N 407.430 2.954 0 50 HFAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCn2ccnc2)cc1 824692106 KKSWPNBJBXUXGT-UHFFFAOYSA-N 407.426 2.925 0 50 HFAA biogenic C[C@H]1CCC(=O)N1c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 952985190 DVAHUFUANNCELM-AWEZNQCLSA-N 419.478 2.746 0 50 HFAA C[C@@]1(NC(=O)c2ccc(COc3ccccc3)cc2)CCOC2(CCNCC2)[C@H]1O 1704338429 UWPVSYUNMYRUEN-XZOQPEGZSA-N 410.514 2.658 0 50 HFAA CCCO[C@@H]1C[C@@H](c2nc(COc3cccc(Cl)c3)nn2CCO)CC[C@H]1N 1857737620 VTGOQZOQQYYMSE-BMGDILEWSA-N 408.930 2.893 0 50 HFAA Cc1nccn1Cc1cccc(-c2noc(-c3ccc(S(N)(=O)=O)c(F)c3)n2)c1 1875264899 BRSUWTPDZGHMQR-UHFFFAOYSA-N 413.434 2.743 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H]1Cn1cc(-c2cncs2)nn1 1875326279 FAZHQHYSSKTNCB-OAHLLOKOSA-N 411.487 2.724 0 50 HFAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 789550 AVZMVUCMJJDENF-UHFFFAOYSA-N 402.516 2.721 0 50 HFAA CC(=O)Nc1c(C)ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)c1C 1125230 XZKPTQYQPOSYKB-UHFFFAOYSA-N 424.530 2.705 0 50 HFAA CCc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 1271847 AIZDDPYBVVRCMO-UHFFFAOYSA-N 415.453 2.611 0 50 HFAA CCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cn1 2779117 RDAALLXOKKIUAN-UHFFFAOYSA-N 408.222 2.848 0 50 HFAA COc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 2993253 MYDKFZVVCWISIT-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 6730718 DXDJZDUZHWFDIE-KGLIPLIRSA-N 418.515 2.705 0 50 HFAA O=c1nc2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2nc1Cc1ccccc1 9335055 WQGOLEHYCCDVFT-MHWRWJLKSA-N 416.289 2.957 0 50 HFAA COCC(=O)N1CCN(CCOc2cccc(CN(C)Cc3cccs3)c2)CC1 14887096 CKGKPXGCHWWPDP-UHFFFAOYSA-N 417.575 2.550 0 50 HFAA O[C@H](COc1cccc(CNCCN2CCCC2)c1)CN1CCc2ccccc2C1 20779383 IGAKWZHHHRCZGA-DEOSSOPVSA-N 409.574 2.670 0 50 HFAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(NCc3cccnc3)c(C(=O)O)c1)C2=O 22215891 MLOOQYGHKADNJV-UHFFFAOYSA-N 417.377 2.891 0 50 HFAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NC1CCCCCCC1 44890449 WAYVRPCCRCQLKB-UHFFFAOYSA-N 423.561 2.799 0 50 HFAA Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)nc2ccc(F)cc12 91665301 XMTRLKJPTBSDGX-GCJKJVERSA-N 400.542 2.897 0 50 HFAA O=C(COc1ccc(Cl)c(Cl)c1)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101863600 WCGRVNLSRBIWOI-HOJOPBEUSA-N 407.253 2.601 0 50 HFAA COc1ccc(Br)c(C(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 170591273 PJNJUBJFORUBAU-GUYCJALGSA-N 408.296 2.920 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](CC)CN1CC(C)(C)O 252533102 FVMMINMOUJMXMZ-UONOGXRCSA-N 405.465 2.923 0 50 HFAA CN(C)c1ncc(CN2CC[C@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)n1C 952891655 BGPHGYNTKGKWKJ-SFHVURJKSA-N 421.427 2.637 0 50 HFAA CN(CCOc1cccc(Cl)c1)C(=O)c1ccccc1N1CCC(=O)NC1=O 1506405396 BKTYEKFODYSNQQ-UHFFFAOYSA-N 401.850 2.937 0 50 HFAA COc1cccc2c1OC[C@H](NC(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 1857698780 HWWCZMWLUFMOIR-MRXNPFEDSA-N 414.527 2.642 0 50 HFAA CC(C)c1nnc(N2C[C@@H](C(=O)N(C)CCCN3CCCCCC3)CC2=O)s1 1857728231 SIUXQBDMDIFTCI-INIZCTEOSA-N 407.584 2.739 0 50 HFAA CCC(=O)Nc1nc(C)c(S(=O)(=O)NC2(CC(F)(F)F)CCOCC2)s1 1875354345 FCZSZKIMQYVXLR-UHFFFAOYSA-N 415.459 2.580 0 50 HFAA COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1196953 ZPRIYLRHXVBVRI-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC 4764330 YEQVNYWGTWEHKN-BHYGNILZSA-N 410.536 2.738 0 50 HFAA CCCCS(=O)(=O)C[C@H](COC(=O)c1ccccc1)S(=O)(=O)CCCC 5102275 LZWVUZBQQWQKMH-KRWDZBQOSA-N 404.550 2.642 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 11663154 XUFMRRHUKGMJQO-INIZCTEOSA-N 410.396 2.903 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2noc(-c3ccccc3)n2)CCC1=O 12005390 SIUFUKSNNHNSPC-SFHVURJKSA-N 420.469 2.800 0 50 HFAA O[C@@H](COc1ccccc1CNCCOc1ccccc1)CN1CCSCC1 12073406 NJAHAMFENUZHJD-HXUWFJFHSA-N 402.560 2.644 0 50 HFAA NC(=O)CSc1nc2ccccc2c(=O)n1C1CCN(Cc2ccccc2)CC1 17088059 JHVSIFMXFAOIKJ-UHFFFAOYSA-N 408.527 2.811 0 50 HFAA CS(=O)(=O)c1ncc(CN2CCN(C3CCCC3)CC2)n1CC1CCCCC1 19774461 RVNWCNRKDGBUKS-UHFFFAOYSA-N 408.612 2.927 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3cccnc13)CC2 23339836 PXAYODPQMFZOTF-INIZCTEOSA-N 416.485 2.969 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3csc(C)n3)C2)CC1 61969711 DKMWIMYQDZKLEU-QGZVFWFLSA-N 400.548 2.887 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)nc(C)n2)n1 65361796 WBFLTNAAKHRYKE-GOSISDBHSA-N 420.517 2.704 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc1 72117614 ADFSJXISZSKLKD-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA Ic1cnn([C@H]2CCCCO2)c1I 95496025 DXTLRUXAWBXFDB-SSDOTTSWSA-N 403.989 2.791 0 50 HFAA in-vitro O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1c[nH]nc1C1CCCCC1 828138395 NNIYYSDNRSYOSQ-VMQIMYIWSA-N 419.573 2.755 0 50 HFAA COCCN1CCC2(CCc3c(N4CCOCC4)nc(-c4ccccc4)nc32)CC1 1857684084 YSXPNWHAUCKLIH-UHFFFAOYSA-N 408.546 2.906 0 50 HFAA Cc1nc(N2CCN(C)[C@H](C)C2)c2c(n1)C1(CC2)CCN(Cc2cscn2)CC1 1857686004 DKYLGLWOTXRPDO-MRXNPFEDSA-N 412.607 2.862 0 50 HFAA Cn1cc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)c(=O)c2ccccc21 1875241108 NXLKTFNRBUPGIO-PMACEKPBSA-N 412.873 2.767 0 50 HFAA Cc1nc2sccn2c1C(=O)N1CCCCNC(=O)C[C@@H]2CCCCN2CCC1 2100534183 XKBVPAOLWHTKGI-KRWDZBQOSA-N 417.579 2.691 0 50 HFAA CC(C)(OCC(F)(F)F)C(=O)N[C@@H]1CCCN(C(=O)C2([C@H]3CCCCO3)CC2)C1 2325829517 LNRJXBWPRKDEPR-HUUCEWRRSA-N 420.472 2.800 0 50 HFAA O=C(c1cc2ncccn2n1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356148707 OGFVXKSJVVNQIW-QHCPKHFHSA-N 403.486 2.569 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792484 NIZSAJYORFTASC-CQSZACIVSA-N 421.346 2.689 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 824385 KHOOTIDADVUAKD-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 6742021 QYPOMAQEIRGJFI-CABCVRRESA-N 406.504 2.697 0 50 HFAA COc1ccc(OC)c(CC(=O)NC[C@H]2Cc3cc(-c4cnccn4)ccc3O2)c1 12158010 AGNTWVUJOCCARY-LJQANCHMSA-N 405.454 2.823 0 50 HFAA CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 12318348 ZFLQPFHRJQHWCW-QHCPKHFHSA-N 416.525 2.626 0 50 HFAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(OCCO)cc2)CC1 12448147 SYPNJFAABCPHTM-UHFFFAOYSA-N 413.562 2.813 0 50 HFAA CN(CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1c(F)cccc1Cl 12456732 RJASCVKZLZJUPO-UHFFFAOYSA-N 402.861 2.528 0 50 HFAA O=C(CCn1cncn1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 12472375 BYENYOAMUIAXGE-KRWDZBQOSA-N 403.477 2.707 0 50 HFAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)c1ccccc1)CC2 14741108 QXUUBPNVKCYBLH-UHFFFAOYSA-N 421.526 2.878 0 50 HFAA CCCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 14969356 RNRFGYGHCJLBOY-QGZVFWFLSA-N 403.527 2.803 0 50 HFAA COCCNC(=O)CCC1CCN(Cc2nccn2-c2ccc(OC)cc2)CC1 15064944 YKMGHAUFMHVWGJ-UHFFFAOYSA-N 400.523 2.636 0 50 HFAA CCS(=O)(=O)N1CCC(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)CC1 16552585 MRVRPMMKRKLHNY-UHFFFAOYSA-N 422.528 2.968 0 50 HFAA CCCN1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)CC1 19224312 QVZFIORCXFRZQR-UHFFFAOYSA-N 418.607 2.889 0 50 HFAA CC[C@H](C)C(=O)N1CCc2c(c(C(=O)NC3CC3)nn2CCc2ccc(OC)cc2)C1 20204120 ANCDMVBIRNNNLK-INIZCTEOSA-N 424.545 2.957 0 50 HFAA CC(C)Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1 95379367 WVGGCUCJNIPJMA-PKTZIBPZSA-N 401.595 2.736 0 50 HFAA COc1ccc(-c2coc3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc23)cc1 217642416 XKGSFHXPVDGLPL-OAHLLOKOSA-N 415.467 2.791 0 50 HFAA biogenic CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccccc2C)C1 1857685756 SERZLAPDDQHARR-GIFXNVAJSA-N 413.606 2.867 0 50 HFAA CN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1c2cccc(O)c2C[C@@H]1C(=O)O 2325898535 JGVGHKRQYCXAOO-PKOBYXMFSA-N 409.442 2.746 0 50 HFAA Cc1nonc1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356137467 ZFZBAGFKXZLIJL-LQWHRVPQSA-N 404.470 2.512 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1C 1051075 IEKUMBKPYAGURF-LJQANCHMSA-N 416.543 2.763 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)NCCCc3cccnc3)CCC(=O)N2)c(F)c1 12164544 FGGXTYCKTITRSS-HSZRJFAPSA-N 413.493 2.950 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCCCC2)c(C)c1C 12205628 OQARWXCTXHNJAU-FQEVSTJZSA-N 401.551 2.794 0 50 HFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4ccnc(SC)n4)C[C@@H]32)cc1 12703018 HWDJPLWHRSHFPR-DLBZAZTESA-N 400.504 2.849 0 50 HFAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1)c1ccco1 12709446 JTVPOPGYJMHURZ-LBPRGKRZSA-N 400.859 2.903 0 50 HFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccccc3Cl)C[C@@H]12 14742240 VEXZNQKRKTZGLH-NDXORKPFSA-N 422.916 2.622 0 50 HFAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 14882175 YHHJHFUUHUNTRK-KRWDZBQOSA-N 407.518 2.703 0 50 HFAA CCOC(=O)C1=C(C)C(C(=O)OCC)(C(=O)OCC)NC(C)=C1c1ccccc1 19608404 QBPPOCZSGKHGBX-UHFFFAOYSA-N 401.459 2.765 0 50 HFAA O=C1C(=O)N(CN2CCN(Cc3ccccc3Br)CC2)c2ccccc21 20045376 VIWGXBSHYWJSCL-UHFFFAOYSA-N 414.303 2.754 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)CC1 20999526 SCADZCVAVYBUJF-FQEVSTJZSA-N 412.534 2.982 0 50 HFAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)n1 65363273 AYYGWHUFKWOOSP-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77486798 YSCMUVASMOELHK-XARGGIHNSA-N 409.530 2.853 0 50 HFAA CCCN(CCO)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82097052 STNBDKBABWLLTD-GOSISDBHSA-N 414.550 2.740 0 50 HFAA Cc1c(N2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)nn2c(C(F)(F)F)nnc2c1C 225814442 GVUCWWJINBNHMU-UHFFFAOYSA-N 420.443 2.861 0 50 HFAA Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCC3 238924043 QNTBHYIWBSPSMN-SHTZXODSSA-N 413.470 2.976 0 50 HFAA biogenic C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 241231054 KROSTEAXRXFXIJ-IRXDYDNUSA-N 406.552 2.562 0 50 HFAA COc1ccccc1-c1ncc(CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cn1 952969514 BJKRQTUOMFJBGT-IBGZPJMESA-N 403.486 2.828 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H]3CN(c4nnc(C)s4)C[C@]3(CCC(=O)O)C2)cc1 1772812369 GPWDIXCXHFPLNC-UZLBHIALSA-N 400.504 2.598 0 50 HFAA O=C(CCCc1cn[nH]c1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857673283 MYAVPPAXEPHLKQ-QHCPKHFHSA-N 418.501 2.797 0 50 HFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 1857720045 BNMGZPVGIPWPTP-KRWDZBQOSA-N 407.518 2.609 0 50 HFAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857728547 GWTKBXAGXWGJQP-DSKINZAPSA-N 416.474 2.597 0 50 HFAA COCCN1CCC[C@]2(CCCN2Cc2ccc(OCCCN(C)C)cc2)C1=O 2356138040 FZCKXJHSRPFVGD-QHCPKHFHSA-N 403.567 2.621 0 50 HFAA COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCCC4)cc1 949956 FOFMJTHCPIVKHQ-UHFFFAOYSA-N 401.513 2.912 0 50 HFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 4580797 FSCVDPOZJLMSOL-XLIONFOSSA-N 406.465 2.622 0 50 HFAA CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCC[C@H](c3ccccc3)C2)CC1 11843347 RECDSYCHJBBWDM-FQEVSTJZSA-N 409.534 2.885 0 50 HFAA CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)C(C1CC1)C1CC1 12302014 YMSHPSQUCCBBFA-IBGZPJMESA-N 407.580 2.866 0 50 HFAA CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 16576566 CMJGMRRJIDDTHQ-UHFFFAOYSA-N 404.488 2.531 0 50 HFAA C[C@H](c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1)N(C)C 71751638 VTNLQIVVCWFWLI-OAHLLOKOSA-N 418.515 2.695 0 50 HFAA O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104504193 OFZYSVCYWJSLTB-WDOAYREASA-N 402.560 2.920 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)CC1 139546700 UPBVEPOOKBLMIQ-STEAMIEHSA-N 420.531 2.793 0 50 HFAA Cc1cn2nc(-c3nc([C@H]4CCCN(C(=O)c5sccc5C)C4)no3)cc2c(=O)[nH]1 169770725 FZJUEGMNOUERPG-ZDUSSCGKSA-N 424.486 2.771 0 50 HFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCC(=O)N1CCc2sccc2C1 241409054 NEGAHVMDWFAKBK-OIISXLGYSA-N 404.532 2.746 0 50 HFAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)C1(O)CCCCC1 252485768 HDMFXHLDONLGAJ-KRWDZBQOSA-N 400.441 2.646 0 50 HFAA Cc1cc(C)nc(CNC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)n1 426699870 DVKDPUSSOIJIGK-UHFFFAOYSA-N 413.481 2.711 0 50 HFAA Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CN(c4ccccc4)C3=O)CCCC2)cc1 468186681 NUULUUFNOKIJTI-LJQANCHMSA-N 412.511 2.613 0 50 HFAA Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)cc2n1C 476576014 VPVNKAJRNDFADV-MRXNPFEDSA-N 406.486 2.979 0 50 HFAA O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1sccc12 1704303406 IVQQAHCIAKYZEI-HNNXBMFYSA-N 412.511 2.897 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)N(C)Cc4ncc(C)[nH]4)CC3=O)sc2c1 1857710998 GHIPKFXDMFUUFT-ZDUSSCGKSA-N 413.503 2.738 0 50 HFAA COc1ccc(N([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 653054 YBVDJDSGMWANGF-ZDUSSCGKSA-N 408.476 2.506 0 50 HFAA CCc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Br)c1 676541 AUJQCCRWWPLLIQ-UHFFFAOYSA-N 413.293 2.676 0 50 HFAA Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NCC(=O)O)cc1 2910329 NUSMHBNGQMRRHQ-MHWRWJLKSA-N 417.259 2.729 0 50 HFAA CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1 8589814 SGPGRWNTLHXOLD-UHFFFAOYSA-N 406.486 2.654 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C1CCN(C(C)=O)CC1 11662635 FBAQETKTIDDLRG-UHFFFAOYSA-N 417.594 2.867 0 50 HFAA COc1ccccc1/C=C/CN1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12028606 YLHVPHMIEMFEPA-VQFGERMISA-N 409.534 2.948 0 50 HFAA CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 12162036 IFECHVVGWVEMHH-ICSRJNTNSA-N 403.571 2.566 0 50 HFAA COC(=O)CN(C)C(=O)c1cc(C)ccc1OC1CCN(Cc2ccncc2)CC1 12319195 IGEVQSYYRHNDBQ-UHFFFAOYSA-N 411.502 2.678 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc(OC)c1 12429899 STVXDSOOZDLURX-INIZCTEOSA-N 400.479 2.558 0 50 HFAA Cc1ccc(CN2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccccn3)C2)o1 14540754 VEZSULTYNVOKSZ-QFIPXVFZSA-N 413.518 2.639 0 50 HFAA CCc1c(C(=O)NCC[C@@H]2CCCN2C)c(=O)cc(C)n1Cc1ccccc1OC 15071894 ASAKIHBKHBYXPN-IBGZPJMESA-N 411.546 2.990 0 50 HFAA CN(Cc1ccsc1)c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 20450215 DXGXNENDJCDGNL-UHFFFAOYSA-N 408.531 2.922 0 50 HFAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1Cc1ccc(Cl)cc1 23362810 KLYDIYMUVGPSAC-RTWAWAEBSA-N 407.002 2.835 0 50 HFAA O=C(CC[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)NCc1ccc(F)c(F)c1 95512899 IWOJODZVXFNDTG-ZDUSSCGKSA-N 400.433 2.944 0 50 HFAA COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3cccc(Cl)c3)n2)cc1 170615732 ZKRQYNPYBJOWKM-UHFFFAOYSA-N 407.835 2.584 0 50 HFAA O=C1C[C@H](C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)C2(CCCC2)O1 952983681 QKDFZGJVFCQWOG-HXUWFJFHSA-N 410.514 2.686 0 50 HFAA CC(C)c1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)no1 1857732903 MDMNDOBMUGQOKL-PMACEKPBSA-N 401.511 2.600 0 50 HFAA O=C1CC[C@H](CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)CN1 1875315268 NHCXHEBHCBTBEO-HNNXBMFYSA-N 423.542 2.879 0 50 HFAA CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 634946 IRPCFZNHNAZXEL-UHFFFAOYSA-N 423.904 2.772 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1 839762 BNGDWMKTNLFHLZ-VQTJNVASSA-N 402.516 2.686 0 50 HFAA Cc1cccc(CN(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 1161020 DVRIXEQJQJBVSX-UHFFFAOYSA-N 422.934 2.698 0 50 HFAA COCCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1cccc(F)c1 4520131 GMAQBZVZFHAYQW-GOSISDBHSA-N 415.421 2.647 0 50 HFAA CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4689215 JSIZYHHHEIKJHC-HXUWFJFHSA-N 410.426 2.974 0 50 HFAA CC1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CCC(C)CC3)cc2)CC1 4714304 PQWUJLKTIKKLKM-FGZHOGPDSA-N 420.594 2.630 0 50 HFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)o2)c1 6710156 JKLINHXEVZMFAD-UHFFFAOYSA-N 409.236 2.918 0 50 HFAA COCc1ccc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)o1 11813563 BTNOVGQXYVHUKA-KRWDZBQOSA-N 402.491 2.842 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2csc(C)n2)n1C[C@@H]1CCCO1 11935706 PJEYAIWTOFSRRN-KRWDZBQOSA-N 412.581 2.643 0 50 HFAA CCc1nc(C)c(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)[nH]1 11936570 BTPMDGNLWZRHEO-UHFFFAOYSA-N 424.593 2.668 0 50 HFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cn(Cc2c(F)cccc2F)nn1 12026685 CWABIQFVACIMMN-ZDUSSCGKSA-N 400.385 2.565 0 50 HFAA CC(=O)N1C(=O)N(Cc2ccccc2)[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2C(C)=O 12379359 HFCSCBYVVGQYDQ-WOJBJXKFSA-N 406.442 2.607 0 50 HFAA CN1CCN(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 12844382 XKURXRMKEDSMGD-UHFFFAOYSA-N 417.482 2.595 0 50 HFAA CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 13841217 XGZPKNFTHMAAGJ-UHFFFAOYSA-N 423.535 2.928 0 50 HFAA CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 14740133 NSXGHMOXXWARFS-UHFFFAOYSA-N 412.562 2.690 0 50 HFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C 20599337 IMOONJVQZIJGRL-MRXNPFEDSA-N 409.490 2.737 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2 23129146 YKSFYOIDXKGJIJ-ZDUSSCGKSA-N 401.417 2.699 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3cccnc13)CC2 23339834 PXAYODPQMFZOTF-MRXNPFEDSA-N 416.485 2.969 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2)[C@H](c2ccccc2F)N1C 55134168 NQSONAJJGTYVCL-IHPCNDPISA-N 400.450 2.685 0 50 HFAA CN1CCC(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 65364240 AQBQLRDNERWUFO-UHFFFAOYSA-N 421.950 2.746 0 50 HFAA O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OC(F)F)cc1 100762127 XUSGMFOENRTCME-SFHVURJKSA-N 417.412 2.869 0 50 HFAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 241231055 KROSTEAXRXFXIJ-SJORKVTESA-N 406.552 2.562 0 50 HFAA CCS[C@@H](C)c1noc(CN(C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)n1 252517128 AMPVVUGJEKJGMP-DLBZAZTESA-N 417.579 2.958 0 50 HFAA Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328608171 YJUYOOAENIAQSZ-LJQANCHMSA-N 405.502 2.580 0 50 HFAA CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n(C)c1 778664816 CELUCCCYJGOGBT-UHFFFAOYSA-N 414.531 2.777 0 50 HFAA O=C(N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1)C12CCCN1CCC2 952891916 CTGNLSWNKFASEX-SFHVURJKSA-N 421.423 2.792 0 50 HFAA COc1ccccc1-c1ccnc(C2CCN(Cc3nnc4n3CCOC4)CC2)n1 952894210 QRPHQHIJULXFHG-UHFFFAOYSA-N 406.490 2.654 0 50 HFAA Cc1nc(C)c(CC(=O)N[C@H]2CC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(O)n1 1857684883 IWELZMGVSNMAHI-JKSUJKDBSA-N 408.458 2.555 0 50 HFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696891 PRNXTMBHTMIBNO-HSZRJFAPSA-N 416.485 2.576 0 50 HFAA COCc1nnc(N2C[C@@H](C(=O)NC3(Cc4ccc(Cl)cc4)CC3)CC2=O)s1 1857712962 PCPDJQAQTBYSOQ-ZDUSSCGKSA-N 420.922 2.582 0 50 HFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857736990 YLMKQRMYNNPPBC-LVYXFOGZSA-N 400.910 2.906 0 50 HFAA CN1CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)[C@@H]1c1cccc(Cl)c1 1875258784 RVFUUIZKCBEZHU-UTKZUKDTSA-N 410.905 2.859 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(OC)nc3OC)C2)[C@@H]2CCCC(=O)N12 2356145089 ADTFVLSGAFKAJQ-MVJTYMMSSA-N 401.507 2.741 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 2356145949 YNRVCUJSGMENOR-UHFFFAOYSA-N 423.513 2.631 0 50 HFAA CCOc1ccc(C2C(C(=O)OC)=CN(C[C@@H]3CCCO3)C=C2C(=O)OC)cc1 1087836 PMZYTSAEVDDFFM-KRWDZBQOSA-N 401.459 2.777 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccc(C)c2)cc1 1133096 MVHBPIRVKAPOLK-HXUWFJFHSA-N 416.543 2.790 0 50 HFAA COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)CCC2=O)c1 2874457 NYIQHJDCSNKUHI-UHFFFAOYSA-N 400.818 2.738 0 50 HFAA Cn1nccc1C(=O)Nc1sc2c(c1C(=O)NC(N)=O)CC[C@H](C(C)(C)C)C2 6386821 MUBWKECLQQDZQD-JTQLQIEISA-N 403.508 2.693 0 50 HFAA COc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OC1CCN(C(C)=O)CC1 11840518 FITOMCSGJSZBGP-IBGZPJMESA-N 404.507 2.726 0 50 HFAA COC(=O)CCNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11998643 RDONQYSTAQFFHI-UHFFFAOYSA-N 408.502 2.528 0 50 HFAA CCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCOCC1)C[C@H]1CCCO1 12455255 JITCJTWPMCIMGT-HXUWFJFHSA-N 413.518 2.998 0 50 HFAA Cn1cc(CNCc2ccccc2OC[C@@H](O)CN2CCc3ccccc3C2)cn1 13594277 XFSYVKMLNWEGNZ-QHCPKHFHSA-N 406.530 2.508 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)CSC)CC2 14539642 WXCWIPHVHNOVPZ-KRWDZBQOSA-N 404.580 2.884 0 50 HFAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 15074841 OZLKBCKYWFQXGF-SFHVURJKSA-N 420.510 2.718 0 50 HFAA CN(c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(Cl)c1)S(C)(=O)=O 65362420 AVEVLOXJPRBMAX-UHFFFAOYSA-N 418.906 2.852 0 50 HFAA CN1C(=O)[C@@](CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)c2ccccc21 71763254 HMWSSHAAQLNXBE-XMMPIXPASA-N 400.482 2.814 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cccc(OCCO)c2)C[C@H]1CCO 107100506 FDSIPWSRTHPFSR-JOCHJYFZSA-N 414.546 2.525 0 50 HFAA Cc1sc2[nH]c(CCC(=O)Nc3nc(-c4ccccc4)nn3C)nc(=O)c2c1C 225466326 SYBKXERTXBZIBC-UHFFFAOYSA-N 408.487 2.968 0 50 HFAA C[C@@H](c1ncc(Br)cn1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 225521412 SSRXCHQKYRQSCZ-LBPRGKRZSA-N 409.332 2.798 0 50 HFAA Cn1c([C@@H]2CCCCN2C(=O)CCCNC(=O)c2cnccn2)nc2ccccc21 253399836 DIQGRSSKNAJKGA-IBGZPJMESA-N 406.490 2.627 0 50 HFAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 253426846 BEWLITYOGPUGQS-INIZCTEOSA-N 405.495 2.971 0 50 HFAA O=C(C1CCC1)N1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 299756963 JBXBRMDYPVVIOJ-UHFFFAOYSA-N 406.530 2.925 0 50 HFAA O=C([C@H]1CCc2cccc(O)c21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 328595875 IBYMVNRJMJPYNE-HNNXBMFYSA-N 420.918 2.609 0 50 HFAA CC1(C)C(O)=Nc2ccc(S(=O)(=O)N3CCC[C@@H](c4n[nH]cc4C(=N)O)C3)cc21 328605040 MBHQQBRRKYKSIR-LLVKDONJSA-N 417.491 2.741 0 50 HFAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414716 VFTBHNFULQZKLJ-UTKZUKDTSA-N 412.534 2.617 0 50 HFAA CN(C)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 471623187 YJHWEIIWWCJXJH-UHFFFAOYSA-N 405.495 2.931 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)CC3 498717480 RJQRQIYZBYYDPV-QZTJIDSGSA-N 424.545 2.614 0 50 HFAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)C1 952973864 PTJRFBBVGCGCRF-KRWDZBQOSA-N 407.536 2.547 0 50 HFAA CCc1cccc(NC(=O)CCC(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)c1 1704303973 JWLXTQQLUVAUKP-HSZRJFAPSA-N 407.518 2.847 0 50 HFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(Cc2cscn2)CCCN1 1875242366 OWOOAPQEULSQGU-GOSISDBHSA-N 400.548 2.535 0 50 HFAA C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnn(C)c1Cc1ccccc1 1875358373 TYUKBLABHYRPTC-HNNXBMFYSA-N 401.474 2.552 0 50 HFAA C[C@@H]1CN2C[C@H]1CCNC(=O)c1ccccc1OCC=CC[C@@]1(CCCNC1)C2=O 2325894071 UJXSQXDPKMBBCA-IECBHUPTSA-N 411.546 2.610 0 50 HFAA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 955091 YYKFFLZETZRBRR-UHFFFAOYSA-N 413.293 2.731 0 50 HFAA CCc1nnc(NC(=O)CCSCCC(=O)Nc2nnc(CC)s2)s1 2086307 QXYNMQWQESGUFI-UHFFFAOYSA-N 400.555 2.605 0 50 HFAA CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCOC 2201339 IZFCEKSJTGVCQB-HSZRJFAPSA-N 404.422 2.505 0 50 HFAA Nc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1 2882844 NTGPNIXTAVHXIS-UHFFFAOYSA-N 419.454 2.707 0 50 HFAA CN(C)CCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 4820615 XSSYOLDCCGTPLJ-UHFFFAOYSA-N 412.563 2.928 0 50 HFAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(-n4cnnc4)c3)cc2)CC1 6703686 XEADPHPBXSLBKW-UHFFFAOYSA-N 418.501 2.824 0 50 HFAA COC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 10112592 FZXJPBARJAPXFP-UHFFFAOYSA-N 416.499 2.821 0 50 HFAA O=C(NCc1cccnc1)C1CCN(C2CCN(C(=O)c3ccccc3F)CC2)CC1 12320476 LBJPHPAHAMIKCA-UHFFFAOYSA-N 424.520 2.854 0 50 HFAA Cc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14731726 AOJJKLPVEGSPCQ-HXUWFJFHSA-N 410.562 2.967 0 50 HFAA O=C(c1cc[n+]([O-])cc1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 15074973 PJPPWLIRMPCJOI-SFHVURJKSA-N 401.457 2.973 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1CC1CCCCC1 64002266 LRRHBSVNYOPQTP-CTNGQTDRSA-N 410.518 2.798 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(C)cc4)CC3)n[nH]c2=O)cc1 169770687 HJTREXKAJFCXGA-UHFFFAOYSA-N 406.486 2.957 0 50 HFAA O=S(=O)(c1ccc(Cl)nc1Cl)N1CCn2c(Br)cnc2C1 225830015 IECZPXJGPNZEGY-UHFFFAOYSA-N 412.096 2.552 0 50 HFAA O=C(C[C@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCc2ccccc2C1 252485752 HCXOICHXGQNIOO-MRXNPFEDSA-N 403.360 2.708 0 50 HFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 253429580 TTXMPCOYUDPFLC-IRXDYDNUSA-N 411.506 2.905 0 50 HFAA COC(=O)c1cn([C@H](Cc2ccccc2)c2nc(C(C)C)n[nH]2)cc2c(=O)[nH]nc1-2 263588832 YZLACKYXXVVKAG-MRXNPFEDSA-N 406.446 2.536 0 50 HFAA CCNC(=O)Nc1ccc(C)c(NC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)c1 427984820 QZPJBHZFXUITBG-UHFFFAOYSA-N 404.430 2.878 0 50 HFAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1CCN(CCOc2ccccc2)CC1 913126211 IHOOMYGUXNXXPG-QHCPKHFHSA-N 421.541 2.905 0 50 HFAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 952963433 KEOJLVWPQONNDF-RBUKOAKNSA-N 400.523 2.554 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccccc2)C1 1857704255 KPAAJHKMBFSNCE-GIFXNVAJSA-N 413.606 2.948 0 50 HFAA CCC[C@H](C)c1nc(-c2ccc(-n3cc(C)cn3)cc2)n(CCS(N)(=O)=O)n1 1875348576 VXOYXOUENQCCRB-HNNXBMFYSA-N 402.524 2.631 0 50 HFAA COc1cc(-c2cn(C[C@H]3CCN(C(=O)C[C@@H](C)CC(=O)O)C3)nn2)ccc1Cl 1875354241 RYOBXMNEADMRDI-KGLIPLIRSA-N 420.897 2.957 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 1875365379 NUOVUZOOXIWBJB-OAHLLOKOSA-N 404.816 2.933 0 50 HFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 4594601 FKHNYYDECPNPOS-QGZVFWFLSA-N 423.487 2.685 0 50 HFAA Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)n1 11841662 DCVWIZGHMQDRHN-FQEVSTJZSA-N 422.554 2.954 0 50 HFAA COCC1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 12203986 BQZVKMJUBYRQLM-UHFFFAOYSA-N 400.519 2.965 0 50 HFAA CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)C(C1CC1)C1CC1 12302017 YMSHPSQUCCBBFA-LJQANCHMSA-N 407.580 2.866 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccsc3)cc2)CC1 15062689 SLKPUIUKKQWSPC-HXUWFJFHSA-N 418.559 2.663 0 50 HFAA CCOC(=O)c1ccc(CNC(=O)c2coc(CN3CCc4ccccc4C3)n2)o1 19741589 WNLTUOGKTZOUGR-UHFFFAOYSA-N 409.442 2.933 0 50 HFAA CC(=O)N1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 20598640 OAYLHKXDISFGIO-UHFFFAOYSA-N 418.497 2.991 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(F)c1 20599126 CIQNPFUEESQFMS-SFHVURJKSA-N 404.482 2.617 0 50 HFAA CNC1CCN(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 82146966 YMNVLNSDKNSQTM-QFIPXVFZSA-N 412.622 2.616 0 50 HFAA Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 170625101 ISHMACNEDMJXKB-UHFFFAOYSA-N 408.502 2.886 0 50 HFAA O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)[C@H]2N1 334161836 JMNDZEYPZARKOQ-HBFSDRIKSA-N 416.522 2.918 0 50 HFAA CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 431577695 KERSWZHELMSPFY-INIZCTEOSA-N 412.515 2.973 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cc1ccc(S(C)(=O)=O)cc1 670455921 GDPOTCLJEDXNJT-UHFFFAOYSA-N 415.490 2.891 0 50 HFAA Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 918642429 AFWPOIRXHKWPRW-UHFFFAOYSA-N 407.451 2.881 0 50 HFAA COc1ccccc1-n1cc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cn2)cn1 1704354657 IBEWLASVYFVVSN-INIZCTEOSA-N 407.474 2.921 0 50 HFAA CCn1nc(C)cc1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671644 NDJGZQKQBVWNBF-QHCPKHFHSA-N 418.501 2.889 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ncc(C)c(CC)n1)C2 1857692706 QDKJYJLYWSDETA-SELNLUPBSA-N 416.566 2.608 0 50 HFAA CCOC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3cccc(C)c3)c2)c1N 1875335701 CWZKOMKTXNFWSE-UHFFFAOYSA-N 400.460 2.740 0 50 HFAA Cn1nnc(-c2nc(Cc3ccccc3)nn2-c2ccc(OC(F)(F)F)cc2)n1 1875348062 HLTAMWZPFBHNPC-UHFFFAOYSA-N 401.352 2.947 0 50 HFAA CC(C)c1cc(C(=O)N(C)C2CC(NC(=O)c3cn(C)nc3C(F)(F)F)C2)no1 2325829685 PRRSTBHCKVCCAN-UHFFFAOYSA-N 413.400 2.583 0 50 HFAA C[C@H]1CN(S(=O)(=O)c2cnc(-c3ccc(Br)cc3)s2)CCO1 2325879276 PCWMMBJVDCNUED-JTQLQIEISA-N 403.323 2.982 0 50 HFAA O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 837325 SYPVSDULPPCGLN-UHFFFAOYSA-N 422.315 2.723 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCCO2 954840 DJEWCPWTWTWSKZ-UHFFFAOYSA-N 417.468 2.967 0 50 HFAA COc1ccc(C(=O)NCCCCNC(=O)c2ccc(OC)c(OC)c2)cc1OC 4947017 PLUADEZVFIVDGZ-UHFFFAOYSA-N 416.474 2.661 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)CC1 11760662 HHHBENBSOCWESS-UHFFFAOYSA-N 407.562 2.827 0 50 HFAA CC[C@@H]1CN(CC(=O)N[C@@H](C)c2c(C)nn(C)c2C)Cc2cc(OC)ccc2O1 11978414 DNJOURFBRUEJCY-KBXCAEBGSA-N 400.523 2.896 0 50 HFAA Cc1cc(C)nc(N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 12111663 HQHRQFCHYPIZHR-FQEVSTJZSA-N 408.550 2.834 0 50 HFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 12155411 AWHRNDNNPACBJY-MWTRTKDXSA-N 416.493 2.696 0 50 HFAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)c1 77470658 UIBXAYPFVVQVSN-OUMCCJGNSA-N 416.477 2.520 0 50 HFAA O=C(CN1CCCCc2c(Br)cccc21)N1CCC2(CC1)OCCO2 170594160 UDPIGUYFZJAXPZ-UHFFFAOYSA-N 409.324 2.957 0 50 HFAA CC(C)(C)OC(=O)NC[C@@H](Cc1cccnc1)CN1CCC[C@@H](CCC(N)=O)C1 252535834 GZLMZPRBQWCIEA-PKOBYXMFSA-N 404.555 2.743 0 50 HFAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCC(N2CCCCC2)CC1 263616838 KUUSHXFSQGDMNP-FQEVSTJZSA-N 413.497 2.779 0 50 HFAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCCC2)c(Cl)c1 952984074 NMGOMIIDWLWSEE-MRXNPFEDSA-N 413.971 2.874 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C(=O)C3)n[nH]2)s1 952991433 PJHHSDJSUGRYAP-UHFFFAOYSA-N 424.482 2.660 0 50 HFAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccc(Cl)c(Cl)c1 1255269767 DINCAQRBSFJZDO-CYBMUJFWSA-N 408.351 2.649 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NC3CCN(Cc4cccnc4)CC3)o2)c1C 1506428262 PSYSEHDDDOXEGG-UHFFFAOYSA-N 416.503 2.889 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(-c2cccs2)nn1C 1529126709 NGVVMODHRNCGOT-CYBMUJFWSA-N 419.532 2.574 0 50 HFAA O=C(c1sccc1Cl)N1C[C@H]2CN(Cc3ccn4nccc4c3)C[C@@]2(CO)C1 1772812246 JTVBDVPPOGDMPR-QRWLVFNGSA-N 416.934 2.616 0 50 HFAA COc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cc1OCCN 1857667154 PBPWGEURBRNADM-UHFFFAOYSA-N 406.486 2.664 0 50 HFAA COCc1nnc(N2C[C@@H](C(=O)NCc3ccc4sccc4c3)CC2=O)s1 1857725570 CSWOGUHTVHLGGZ-ZDUSSCGKSA-N 402.501 2.569 0 50 HFAA Cn1ccnc1CN1C[C@H]2NC(=O)CCc3ccc(O)c(c3)Oc3cccc(c3)[C@@H]2C1 1875240167 KIARLJRDARKJEP-VQTJNVASSA-N 418.497 2.948 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 2883105 PRNNXPYODRYKQY-QGZVFWFLSA-N 416.499 2.937 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2N(C)C)CC1 11665265 PLVCOGCINZXREL-HXUWFJFHSA-N 403.567 2.732 0 50 HFAA O=C(NCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2)c1ccccc1 11786276 MDGIKXDKDDXMSI-UHFFFAOYSA-N 412.497 2.815 0 50 HFAA CCN(CC)C[C@H](O)COc1cc(CN(C)Cc2nccn2CC)ccc1OC 11936232 HCEWMVBROFAAJX-IBGZPJMESA-N 404.555 2.625 0 50 HFAA O=C1c2cccc(N3CCN(C[C@H]4CC=CCC4)CC3)c2C(=O)N1CCn1cccn1 12152212 KIIGJUWADWUONC-IBGZPJMESA-N 419.529 2.658 0 50 HFAA CCc1ccc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)nc1 12305522 MZIYWGJQVHFJLO-UHFFFAOYSA-N 411.502 2.972 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19943501 HGANCFZUDNNTRO-UHFFFAOYSA-N 424.906 2.584 0 50 HFAA CCOC(=O)C1=C(C)NC(COCCN)=C(C(=O)OCC)[C@@H]1c1ccccc1Cl 65734349 BGGLOZPVAWMSEB-GOSISDBHSA-N 422.909 2.656 0 50 HFAA in-vitro CSCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2C1 77541155 GDIDMEMPKCNMFT-HNNXBMFYSA-N 404.557 2.974 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NC[C@@H](CN(C)C)c2ccccc2)cc1 225422532 UGOLYNLIASBMRD-FAVCTGHLSA-N 409.530 2.675 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)ccc1O 238899668 HAOXMWGSLQOXDJ-GJYPPUQNSA-N 424.375 2.813 0 50 HFAA CN1C(=O)C[C@H](CNC(=O)c2ccc(Cl)cc2OCCCN)c2ccccc21 299760283 ISYIUWJTFYEFTH-CQSZACIVSA-N 401.894 2.948 0 50 HFAA Cc1ccc2oc(NC[C@H]3CN(CC4CCN(CC5CC5)CC4)C(=O)CO3)nc2c1 299770898 NVOJCUJMXXIAGX-IBGZPJMESA-N 412.534 2.898 0 50 HFAA COc1ncccc1NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409414467 RHBYFYZTSJRIJE-IBGZPJMESA-N 416.437 2.928 0 50 HFAA Cc1oc2c(c1C(=O)Nc1ccc(OCC(=O)N3CCOCC3)cc1)C(=O)CCC2 827968294 OOPHRYCRFXBMDT-UHFFFAOYSA-N 412.442 2.597 0 50 HFAA O[C@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H]1Cc1ccccn1 1616077459 SANNJLWUPMTNER-CVDCTZTESA-N 404.514 2.502 0 50 HFAA CC(C)c1nccc(CN2C[C@H]3CN(C(=O)CCc4ccsc4)C[C@]3(CO)C2)n1 1772818802 LKELJQSEJZWMQA-AVRDEDQJSA-N 414.575 2.547 0 50 HFAA Cc1cc(OCC(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)ccc1C(C)C 1875255149 CGAPRPNFWWQBMI-UHFFFAOYSA-N 408.506 2.902 0 50 HFAA Cc1ccc([C@@H](N)C(=O)NS(=O)(=O)c2c(C)cc(Br)cc2C)cc1 2325842220 RPSIZTPGPMXQAL-OAHLLOKOSA-N 411.321 2.879 0 50 HFAA C[C@H](OC(=O)[C@H]1CC[C@H](N=c2cncc[nH]2)CC1)C(=O)c1ccc2c(c1)CCC(=O)N2 2325850400 XDLVXUGJPSDUHC-MPGHIAIKSA-N 422.485 2.569 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncn4C)C3)c3cccc(=O)n32)c1 2356137931 AWRWIBAIWYNPDF-LQWHRVPQSA-N 418.497 2.634 0 50 HFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)CCc3ccc(O)nn3)C2)c2cccc(=O)n21 2356146381 CTDNPJUOILHLMX-UWVAXJGDSA-N 410.518 2.900 0 50 HFAA COc1ccc(CN2CCN(c3noc(-c4ccccc4)c3C(=O)O)CC2=O)cc1 2356160096 CWWPGIPEOAFRKO-UHFFFAOYSA-N 407.426 2.897 0 50 HFAA CC(C)Cn1cc(C(=O)NCCOC(C)C)c(=O)c(C(=O)N2CCCCCC2)c1 12038888 KIJIOJSLYGEUSL-UHFFFAOYSA-N 405.539 2.675 0 50 HFAA Cc1cnc(CNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)cn1 12051370 IMQUJJZIFWMHIX-QHCPKHFHSA-N 406.530 2.947 0 50 HFAA Cc1cc(=O)c(C(=O)NCc2ccncc2)c(C)n1C[C@H]1COc2ccccc2O1 12152185 PADOKPDXMFBOGC-SFHVURJKSA-N 405.454 2.630 0 50 HFAA Cc1cc(=O)c(C(=O)NCCc2ccccn2)c(C)n1C[C@H]1COc2ccccc2O1 12218921 JQFYYPOIAHVIRG-IBGZPJMESA-N 419.481 2.673 0 50 HFAA CC1(C)[C@H]2CC=C(CN3CCC(=O)N(CCS(=O)(=O)c4ccccc4)CC3)[C@@H]1C2 12280396 ZJKYXMJYDPEAEM-FPOVZHCZSA-N 416.587 2.987 0 50 HFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12373011 PGVSSPHDTXMXLJ-SFHVURJKSA-N 411.506 2.909 0 50 HFAA O=C1CSC(=O)N1CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12435557 KSGJXNQIXPPSMT-FQEVSTJZSA-N 406.467 2.732 0 50 HFAA CCOC(=O)c1csc(CCNC(=O)c2cc(COc3ccccc3)on2)n1 12573193 CQULYUHYLSEWNN-UHFFFAOYSA-N 401.444 2.859 0 50 HFAA CCN(CCn1cccn1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 20908139 LNIRPQLIHOSZKS-UHFFFAOYSA-N 415.563 2.638 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3ccncc3)C2)CC1 55072690 MXNVNKOXPPDQFH-NRFANRHFSA-N 408.546 2.836 0 50 HFAA CCN(CCOC)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91602838 AXPBCGOOVYSESQ-JOCHJYFZSA-N 413.606 2.825 0 50 HFAA CC(C)n1c(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)nc2ccccc21 334161810 JBQSNDNNBFKPNA-RIFZZMRRSA-N 415.563 2.959 0 50 HFAA COc1ccnc(N2CC[C@@]3(CCCN(Cc4cccc(OC)c4OC)C3=O)C2)n1 426615166 OTMQQSPOYPUFQE-QFIPXVFZSA-N 412.490 2.522 0 50 HFAA C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(OCc2ccccn2)c1 480693910 DNZOOLNQDADIGP-WBVHZDCISA-N 405.458 2.614 0 50 HFAA Cn1c(CNc2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)nc2ccccc21 828710982 UIXUUMPSQYYBKT-HXUWFJFHSA-N 421.545 2.762 0 50 HFAA CC(C)(CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O)c1ccc2ccccc2c1 1228048542 LVQQBLQDNJZJTR-UHFFFAOYSA-N 408.502 2.937 0 50 HFAA C[C@H](CNC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)Oc1cccc(F)c1 1444910243 ZPSGJCDSYQPRLT-NJAPINKUSA-N 401.356 2.520 0 50 HFAA O=S(=O)(N1CCCCC1)N1CCCN(CCCCOCc2ccccc2)CC1 1506407937 MNESONHAPNJCFY-UHFFFAOYSA-N 409.596 2.722 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772816324 NNUZONRLGHZNRE-HNNXBMFYSA-N 400.504 2.611 0 50 HFAA Cc1ccc(F)cc1CN1CCC2(CC1)CN(Cc1nccn1C)C[C@@H]2C(=O)O 1857703311 YSINIJRKAQLJSH-LJQANCHMSA-N 400.498 2.666 0 50 HFAA CCc1csc(Cn2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)n1 1875244583 OSRNJVYPVMVMHY-UHFFFAOYSA-N 412.515 2.855 0 50 HFAA CN1C(=O)NC[C@@H]1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1875343083 PIBJJHPTCQIMNX-UXHICEINSA-N 412.921 2.597 0 50 HFAA Cc1cc(I)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O 940140 RDYBUPXAGMHDEU-UHFFFAOYSA-N 420.206 2.834 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc(C)c2C)cc1 1115664 IXVZRUBQQZDJLV-UHFFFAOYSA-N 402.516 2.666 0 50 HFAA O=C(NCCCN1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 10450188 OMWSBOOSMANJHY-UHFFFAOYSA-N 413.971 2.730 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCN1CCCCO1 12058448 ZDQAXCMVTINJHI-UHFFFAOYSA-N 421.557 2.930 0 50 HFAA COc1cc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)nc(OC)n1 12307435 XGVDCSHILVEYMB-QGZVFWFLSA-N 413.522 2.587 0 50 HFAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 12405988 UQDDMMQNQKZNQE-SFHVURJKSA-N 413.499 2.731 0 50 HFAA Cn1cc(CNCc2ccccc2OC[C@H](O)CN2CCc3ccccc3C2)cn1 13594280 XFSYVKMLNWEGNZ-HSZRJFAPSA-N 406.530 2.508 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1nccs1)CC2 14747557 XXEPTUABARDZJI-UHFFFAOYSA-N 413.547 2.790 0 50 HFAA COC(=O)[C@@H]1CC(=O)N(C)C12CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)CC2 14960891 GPEKOQMQHFBKJC-KRWDZBQOSA-N 418.921 2.774 0 50 HFAA Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 16576610 URYPNAXBJFKXNC-UHFFFAOYSA-N 424.906 2.687 0 50 HFAA O=C(CCCn1nnnc1CN1CCc2ccccc2C1)NCc1ccccc1Cl 20210027 LLQPIGDFGLDZCG-UHFFFAOYSA-N 424.936 2.981 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1 20418666 DUYGGADAUUBIFR-UHFFFAOYSA-N 415.449 2.999 0 50 HFAA COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 20500667 BVPBMEXSDNTZKR-HXUWFJFHSA-N 408.454 2.996 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccon2)[C@H](c2ccccc2Cl)N1C 55042050 ANILSPVQSMXZFN-KNBMTAEXSA-N 405.882 2.911 0 50 HFAA O=C(CC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)NCc1ccc(F)c(F)c1 95512900 IWOJODZVXFNDTG-CYBMUJFWSA-N 400.433 2.944 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)c1 169777067 TXDIYTRQXGPMSZ-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 225655013 GBEHASBWKBDYRQ-DLBZAZTESA-N 401.308 3.000 0 50 HFAA C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 240551439 GTSLTTFHCFJNNQ-LJISPDSOSA-N 421.519 2.828 0 50 HFAA O=C1C[C@H](N(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C2CC2)C(=O)N1 252458419 GKPSWPIMFUAWBC-MUQJWAJZSA-N 409.324 2.517 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCCC(=O)N(C)C)csc2C1 426698481 TZOKPSVRZPXOFD-UHFFFAOYSA-N 404.536 2.509 0 50 HFAA Cc1ccn(CC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c(=O)c1 469771659 DGIGSVGCWANNTE-NRFANRHFSA-N 420.513 2.618 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc(C)c2c(O)nc(O)nc2n1)CC3 491576609 XTQUAGYAEUVSLF-LBPRGKRZSA-N 403.442 2.821 0 50 HFAA C[C@@]1(c2ccc(-c3nc(-c4cccc(NC(=O)C5CC5)c4)no3)cc2)NC(=O)NC1=O 1875270677 MXMGOFFXQIUNRX-QFIPXVFZSA-N 417.425 2.807 0 50 HFAA CS(=O)(=O)C1(c2noc(Cc3noc4ccc(Br)cc34)n2)CCC1 1875346157 VIUSLRSWFMSIBK-UHFFFAOYSA-N 412.265 2.988 0 50 HFAA COC(=O)CNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826827 NKVWEEYVWLVISR-NRFANRHFSA-N 409.486 2.887 0 50 HFAA CCC[C@@H](O)CCn1cnc2c(N3Cc4ncccc4N4CCC[C@H]4C3)ncnc21 2325872323 RSGWBFJZNRTSLY-DLBZAZTESA-N 407.522 2.761 0 50 HFAA CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@](O)(c2ccc(Cl)cc2)C1 866262 PSZLALONARSCAZ-HXUWFJFHSA-N 402.834 2.716 0 50 HFAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 1051014 HLBSHSZBKJMTJX-UHFFFAOYSA-N 420.487 2.676 0 50 HFAA CC1=CCN(S(=O)(=O)c2ccccc2)/[S@](=N/S(=O)(=O)c2ccccc2)C1 4954856 UZAAINDMENHARR-XMMPIXPASA-N 410.542 2.743 0 50 HFAA Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 5558557 BUWWIICUAFBYHV-UHFFFAOYSA-N 402.516 2.896 0 50 HFAA CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 6490168 ILTWEKZMISJMBQ-SMELUJQZSA-N 402.495 2.651 0 50 HFAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)C3CCCC3)CC2)c1 11661255 AUTVPVZIRTXSBH-UHFFFAOYSA-N 401.551 2.880 0 50 HFAA COc1ccccc1C(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 11697183 WRMGOEOOXBMVIV-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA COc1ccc(OCc2cc(C(=O)N[C@H](C)Cn3cncn3)no2)c2ccccc12 11813841 XGCOOYJVMBCNGV-CQSZACIVSA-N 407.430 2.825 0 50 HFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 12191372 FOZISAAZGSHPQE-UGKGYDQZSA-N 406.482 2.987 0 50 HFAA CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 13750547 NGFWLPUXONZUAV-RGEXLXHISA-N 403.507 2.947 0 50 HFAA CCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 14882421 HIOSEBJIEJHLJJ-UHFFFAOYSA-N 421.520 2.897 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCCCO2)n1CCc1ccccc1 55197116 HJIYMNPMADKTHJ-FQEVSTJZSA-N 405.564 2.920 0 50 HFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(c2ccccc2)CC1 71280337 PEWGYHSCKLTSLJ-UHFFFAOYSA-N 408.889 2.913 0 50 HFAA CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@@H]1O 72437372 FDQNMRHLFKQKNC-ZACQAIPSSA-N 414.593 2.691 0 50 HFAA CN1CCC(N2CCC(Oc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)CC1 95497512 FPYLRHWVMPTKBZ-QFIPXVFZSA-N 401.551 2.533 0 50 HFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 140277029 OYAXLVQUGMXMJF-JOCHJYFZSA-N 409.530 2.997 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C3=C2C(=O)OC3)cc1 169757987 NJRJJPHSVVBBJS-IBGZPJMESA-N 413.380 2.789 0 50 HFAA CC(C)c1noc(-c2cccn3c(CNC(=O)COc4ccc(F)cc4)nnc23)n1 169780443 GZCQPWVQNZXZOG-UHFFFAOYSA-N 410.409 2.737 0 50 HFAA COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(C)cc1 225515206 VPMSTZHOENSLII-LJQANCHMSA-N 401.488 2.691 0 50 HFAA COc1ccc(C2(c3noc(C[C@H]4CCS(=O)(=O)C4)n3)CCCC2)cc1OC 225554972 IGMQUOQTUDEJCN-CQSZACIVSA-N 406.504 2.924 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)n1 470746877 YAUGOHMIHALVBW-CYBMUJFWSA-N 411.277 2.953 0 50 HFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1cccc(-n2cncn2)c1 497844108 YPEPOCPGYPTQGG-OAHLLOKOSA-N 406.494 2.803 0 50 HFAA Fc1ccccc1-n1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cn1 826629856 BKKWCPFRDPJOJN-UHFFFAOYSA-N 403.465 2.647 0 50 HFAA Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)N(C)Cc1noc(CC(C)C)n1 952970849 QODANTPRQJKXLT-KRWDZBQOSA-N 400.479 2.966 0 50 HFAA COc1ccc(-n2ccnc2CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1 952976627 NUFYEUAKLOWYOQ-RGMRCXJASA-N 405.506 2.705 0 50 HFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1253463246 XEXCZGQOKFWMDV-MRXNPFEDSA-N 423.439 2.885 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)C1CCN(c2nc3nc(C)ccc3o2)CC1 1857696981 HISPVHZUMDNOJP-MRXNPFEDSA-N 400.479 2.692 0 50 HFAA Cc1cc(=O)cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)o1 1857714301 PCPGXOVKTWBVRL-QHCPKHFHSA-N 418.453 2.626 0 50 HFAA O=C(NCc1cccc(O)c1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857719821 WICVZCZAYOVCAO-INIZCTEOSA-N 408.483 2.504 0 50 HFAA Cc1cccn2ncc(C(=O)NCc3cnc4c(c3)CN(C(=O)C(C)(C)C)CC4)c12 1875242520 WKWOVBNOLCYHNL-UHFFFAOYSA-N 405.502 2.899 0 50 HFAA COc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 797730 PZEKNXOCNMUUDE-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 4764053 WBNBQGONUNEUHO-VQTJNVASSA-N 412.486 2.982 0 50 HFAA CCCN1CCC(NC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)CC1 11934955 CGSMMBACSFGMSR-UHFFFAOYSA-N 416.522 2.601 0 50 HFAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 12162059 QFZMVJIPHFJTFP-NRFANRHFSA-N 415.578 2.752 0 50 HFAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 12382147 ZJBIJSUYQLDEFH-NWNNTGRJSA-N 400.431 2.675 0 50 HFAA CN(Cc1cnn(C)c1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 14989666 HAJKIWPFQARNHW-UHFFFAOYSA-N 423.561 2.543 0 50 HFAA Cn1cnnc1Sc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)o1 39519041 DLTANKVOIZPZMM-OAHLLOKOSA-N 419.576 2.690 0 50 HFAA O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1cccc(C(F)(F)F)c1 72140608 RSWASONCZBXZCM-UHFFFAOYSA-N 410.400 2.566 0 50 HFAA Cc1oc2cc(OCCN3CCN(CCO)CC3)ccc2c(=O)c1-c1ccccc1 96298721 YHSMTLQGBXGKGL-UHFFFAOYSA-N 408.498 2.757 0 50 HFAA biogenic C[C@@H]1[C@H](C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1C(=O)OC(C)(C)C 170605145 VEGOHEUOUHPTFJ-HZPDHXFCSA-N 413.522 2.857 0 50 HFAA CSCC[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)O 238899339 FUTQSHFQOJNMEL-MPGHIAIKSA-N 417.531 2.525 0 50 HFAA CCN(CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1)CC1CC1 241440014 NOJRRNNJJAKIJB-NHCUHLMSSA-N 417.594 2.912 0 50 HFAA CCC(CC)CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCCCCC1 299756539 GOWMJCLZPTYXRC-HKUYNNGSSA-N 405.543 2.519 0 50 HFAA CCN(CC)C(=O)CCCn1c(N2CCCC2)nnc1[C@]1(OC(C)C)CCOC1 1728352476 ADXMEGJJDULDJN-NRFANRHFSA-N 407.559 2.568 0 50 HFAA COc1ccc(-c2noc(CCCC(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)n2)cc1 1875243174 UMEFFJNXOLUNLL-QUCCMNQESA-N 422.485 2.525 0 50 HFAA CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H]3COc4ccc5ccccc5c4C3)ccc21 1875319992 BSFQFDHADIDRHE-INIZCTEOSA-N 408.479 2.641 0 50 HFAA Cc1cc(C(=O)N2CCN(C(=O)c3csc4cncn34)C[C@](C)(F)C2)ccc1O 1875331141 RCYWMUHCGNUAAZ-HXUWFJFHSA-N 416.478 2.736 0 50 HFAA Cc1ccc(Br)c(S(=O)(=O)NC(=O)c2cnc3cnccc3c2)c1 1875335901 KYDPFUKUAHYCMC-UHFFFAOYSA-N 406.261 2.819 0 50 HFAA O=C1C(=CN[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1cccc(Cl)c1 2082927025 WKRKPVSFCZKEGQ-AWEZNQCLSA-N 416.886 2.645 0 50 HFAA CC(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cc1 2325896349 WSHQSBUYIVNSLD-LJQANCHMSA-N 405.454 2.823 0 50 HFAA O=S(=O)(Cc1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 4746101 QHIWIBXLLHMXJS-UHFFFAOYSA-N 413.587 2.799 0 50 HFAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(C2CSCCSC2)C1 12298927 KEQQYIIGDCDSOQ-KRWDZBQOSA-N 400.635 2.667 0 50 HFAA CC(=O)NCC(=O)N(Cc1cccnc1)CC1CCN(Cc2ccccc2C)CC1 12304640 VYFUMFXPFDAZHJ-UHFFFAOYSA-N 408.546 2.767 0 50 HFAA Cc1ccc2nc3c(cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)n3C)c(=O)n2c1 12421546 FHIBPGYCHFNFMY-UHFFFAOYSA-N 419.460 2.596 0 50 HFAA CCN(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12430222 XPXWSSXSUIZEMF-UHFFFAOYSA-N 410.518 2.862 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2C(C)=O)C1 15069549 MAOLXNYRCNQGSH-SFHVURJKSA-N 424.497 2.945 0 50 HFAA Fc1ccccc1Cc1noc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 20454156 BDMPTYMVNKQVNX-UHFFFAOYSA-N 410.449 2.846 0 50 HFAA COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 33833402 JDGNFRYDHRYXNL-ROHJGGRPSA-N 417.502 2.905 0 50 HFAA biogenic,in-vitro C[C@@H]1CN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CCN1C 71765155 VGRSQNQEEJQQLZ-QGZVFWFLSA-N 411.575 2.846 0 50 HFAA Cc1ccn(-c2ccc(NCCNC(=O)c3ccc(Br)cc3)nn2)n1 72115758 OMCNVYAEUQEURG-UHFFFAOYSA-N 401.268 2.575 0 50 HFAA O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1cc(F)cc(F)c1 169765761 JFKBEVYBUASKNQ-UHFFFAOYSA-N 414.397 2.991 0 50 HFAA CCN(CC)c1ccc(C(=O)N2CCC[C@@H](n3cc(-c4noc(C)n4)nn3)C2)cc1 169777888 YRYGAABFENUJJQ-GOSISDBHSA-N 409.494 2.960 0 50 HFAA C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229532543 JBSAQUPBPRFJOK-KZULUSFZSA-N 400.866 2.910 0 50 HFAA COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(CC1CC1)CC2 299756842 HRXSWWOOYKRGNT-UHFFFAOYSA-N 402.516 2.586 0 50 HFAA O=C1CC2(CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)CC2)CN1 465365717 QROFHULPGVYAIY-UHFFFAOYSA-N 401.470 2.677 0 50 HFAA O=C(NC1CCC(O)(c2cccnc2)CC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 771746961 ZRIKHLAVSRAMBZ-UHFFFAOYSA-N 420.469 2.803 0 50 HFAA COc1cc(S(=O)(=O)N2CCCN(Cc3cccs3)CC2)c(OC)cc1C 952983649 WISXEABQVIFJTF-UHFFFAOYSA-N 410.561 2.970 0 50 HFAA COc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c(F)c1 1704355912 YAPOBHXLJUKKQP-NHCUHLMSSA-N 409.429 2.925 0 50 HFAA O=C(CCC(F)(F)F)N[C@@H]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 1857688697 WYOZEZSTGJSAES-ZIAGYGMSSA-N 400.397 2.844 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC=CCO2)C1 1875383126 HUUNHWQLVOFFPV-LSTHTHJFSA-N 408.420 2.783 0 50 HFAA CC(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cc1 2325896348 WSHQSBUYIVNSLD-IBGZPJMESA-N 405.454 2.823 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cc[nH]n4)C3)[C@@H]3CCCC(=O)N23)c1 2356140169 XCKTYDQYPQMUNK-SEONNTABSA-N 408.502 2.503 0 50 HFAA CCOC(=O)c1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)o1 4649506 DNUXEMXYGOKQHT-MRXNPFEDSA-N 404.488 2.624 0 50 HFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCC2CCCCC2)c1=O 11782915 AMDGCYYJXXVCPZ-UHFFFAOYSA-N 405.539 2.581 0 50 HFAA C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)Cc2c(F)cccc2F)CC3)C[C@@H](C)O1 11839814 XKCABTLAQRDWJH-UXLLHSPISA-N 406.473 2.772 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)c1C 15073244 FLQXHUZFGVWARX-OAHLLOKOSA-N 423.560 2.726 0 50 HFAA O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc2ccccc2c1 19972701 LBKGZJSWFLWQLE-RUZDIDTESA-N 416.477 2.937 0 50 HFAA COCc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(F)cc1 40397166 NYUVWWYZYJOFDU-UHFFFAOYSA-N 418.432 2.963 0 50 HFAA Cc1cc(C(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1N(C)S(C)(=O)=O 67613028 ZZFRKAHOQXZTKY-UHFFFAOYSA-N 412.515 2.815 0 50 HFAA NC[C@H]1CCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)C1 82127211 RZPNDYYOBZNRAO-JOCHJYFZSA-N 412.622 2.603 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91350830 INPACRWZCTUXDC-KRWDZBQOSA-N 404.482 2.858 0 50 HFAA COc1ccccc1OCCNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772534 OOZUDMGOYHGVFT-UHFFFAOYSA-N 424.423 2.916 0 50 HFAA Cc1cccc2c1ccn2CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 206240051 ODPSFNMMDHRLSU-LJQANCHMSA-N 404.470 2.597 0 50 HFAA CC(C)CN(C(=O)COc1cnccc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 225500921 UJCHYWFVFDFYCG-SFHVURJKSA-N 402.516 2.799 0 50 HFAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC[C@H]3C(=O)O)cc2c1C 225617798 SYRXKJFLYALGJI-HNNXBMFYSA-N 409.460 2.936 0 50 HFAA CC[C@H](C)[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 252516482 STDQPPOMFNGHQX-QNTYUMOHSA-N 419.525 2.865 0 50 HFAA biogenic O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1nc2c(s1)CCC2 252540520 PJXMSCCBCLNMPR-CYBMUJFWSA-N 404.879 2.939 0 50 HFAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@@H]1c1ccc(F)cc1F 431291992 HHXBYPGQUQFIIU-OAHLLOKOSA-N 422.413 2.630 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(C)c2c(O)nc(O)nc2n1)CC3 491576608 XTQUAGYAEUVSLF-GFCCVEGCSA-N 403.442 2.821 0 50 HFAA CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)ccc1F 732539672 JBXARAPIPVSSCP-CQSZACIVSA-N 421.494 2.613 0 50 HFAA Cc1cc2c(N3CCC[C@H]3C(=O)NC[C@]3(O)CCc4ccccc43)ncnc2s1 752549257 VXEYOADJENUSCP-PGRDOPGGSA-N 408.527 2.919 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 1506404200 VTLRYIPSRVEIGF-MRXNPFEDSA-N 416.971 2.969 0 50 HFAA COc1cccc(CN2CCN(c3noc(-c4ccccc4)c3C(=O)O)CC2=O)c1 1704307943 AOEHQFSNXNSHGA-UHFFFAOYSA-N 407.426 2.897 0 50 HFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857674625 QHUDHDMPHZIVJK-OAQYLSRUSA-N 410.861 2.877 0 50 HFAA COCc1nnc(N2C[C@H](C(=O)NCc3ccc4sccc4c3)CC2=O)s1 1857725569 CSWOGUHTVHLGGZ-CYBMUJFWSA-N 402.501 2.569 0 50 HFAA CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(N)c3N)CC[C@H]2C1 1875329972 MQEFOZVOIUMHSK-HRCADAONSA-N 424.549 2.758 0 50 HFAA CSC1(C(=O)N[C@H]2CN(C(=O)c3occc3Br)CC[C@@H]2C)CC1 1875345561 BRCPMZRQVGYCOW-JQWIXIFHSA-N 401.326 2.905 0 50 HFAA CC(C)c1nn(C)cc1CNC(=O)CCCC(=O)NCc1cn(C)nc1C(C)C 2325721176 MTZLLQRKEKNXAN-UHFFFAOYSA-N 402.543 2.503 0 50 HFAA COc1cc2nc(N3CCC[C@@]4(CCc5cnc(C)nc54)C3)[nH]c(=N)c2cc1OC 2356147430 WGRKBZVHSUCCIU-JOCHJYFZSA-N 406.490 2.642 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c2c(C)noc2n1 2356152820 BQKDJTUOUYTYCW-JOCHJYFZSA-N 406.490 2.816 0 50 HFAA O=C(Cn1cnc2ccc(I)cc2c1=O)Nc1ccc(F)cc1 624872 QTJKIUDDMNDVPL-UHFFFAOYSA-N 423.185 2.779 0 50 HFAA O[C@@H](COc1ccccc1CNCCCc1cccnc1)CN1CCSCC1 15065304 NZRBEQCHTWKTDU-OAQYLSRUSA-N 401.576 2.593 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@H]2CCCO2)c1=O 15071691 KRAIEXOESFUHRR-QGZVFWFLSA-N 403.523 2.648 0 50 HFAA O=C(c1ccc(N2CCc3n[nH]cc3C2)nc1)N1CCCC[C@H]1CCn1cccn1 67515549 SNWUOPVXMSVTBJ-IBGZPJMESA-N 405.506 2.649 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC2CCNCC2)c1 95519887 UZVYVXUIVQNKEY-UHFFFAOYSA-N 401.551 2.963 0 50 HFAA CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[C@H](OCc2ccncc2)C1 225518906 BTLTWPXPGIDNCO-NQIIRXRSSA-N 424.545 2.721 0 50 HFAA NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc1 828158398 DGOIDGNGQMPOSH-HXUWFJFHSA-N 401.532 2.681 0 50 HFAA NS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)c1 1290162608 XROMWWOVHSBDBM-FVQBIDKESA-N 407.289 2.621 0 50 HFAA O=C(CCCN1CCCCCC1)N1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704341683 ZFIZKXSAGWJVSU-REWPJTCUSA-N 402.535 2.550 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(-n4cccn4)c3)C1)CC2 2356139221 OEWILNJNRXZJKB-QHCPKHFHSA-N 402.502 2.849 0 50 HFAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 1150264 SDLDBCWVKVZKJV-QGZVFWFLSA-N 408.907 2.831 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccnc4OC)C3)C2=O)c1 11772853 KXAIGVFQRMTRDF-HSZRJFAPSA-N 409.486 2.754 0 50 HFAA COc1ccc(CCc2nnc(CCC(=O)NCc3cn4ccsc4n3)o2)cc1 12434328 YILFJEBHKOXUTH-UHFFFAOYSA-N 411.487 2.822 0 50 HFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 12464431 XEBFCSONVOMKIG-KRWDZBQOSA-N 405.458 2.714 0 50 HFAA CC(C)NC(=O)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1 12597300 BUMGVJQPZHKMQF-UHFFFAOYSA-N 419.639 2.944 0 50 HFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCOCC2)cc1 14399357 UADBYTHDQQGKBG-UHFFFAOYSA-N 400.431 2.579 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CCCC3)cc(S(=O)(=O)N3CCOCC3)c2)s1 14752608 AICGSQJIKKSPRX-UHFFFAOYSA-N 420.556 2.980 0 50 HFAA CN(Cc1cnn(C)c1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 14882524 NTMMUXLLKGKHPE-NRFANRHFSA-N 405.502 2.548 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 14909206 UYHOUAMUDWOITJ-UHFFFAOYSA-N 400.500 2.685 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N3CCCN(C)CC3)CC2)CC1 15065379 UKYSACDUMJVSMY-UHFFFAOYSA-N 412.622 2.836 0 50 HFAA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2C)c1C 20602637 FEIFLLUEUKPGQF-UHFFFAOYSA-N 415.563 2.995 0 50 HFAA Cc1cc(C)c(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1C 20910042 ALRQIXCJEXXWHI-HXUWFJFHSA-N 419.595 2.508 0 50 HFAA CC(C)Nc1cc(N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)ncn1 67743341 BZOPSSURGOOANA-QHCPKHFHSA-N 422.533 2.724 0 50 HFAA O=C(NCCc1c[nH]cn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 245256055 MYLVTZNJYAHIHL-SHTZXODSSA-N 424.954 2.507 0 50 HFAA C[C@H](NC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 245258127 KOPMBZHKROTKNR-MORSLUCNSA-N 415.540 2.858 0 50 HFAA CCc1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)on1 299778993 RHRFRGXROQITKZ-NRFANRHFSA-N 417.481 2.647 0 50 HFAA CN1CCC(=O)Nc2cc(C(=O)Nc3cccc4c3CCN(CC(C)(C)O)C4)ccc21 753114329 BSMKXMLLZGRYNF-UHFFFAOYSA-N 422.529 2.846 0 50 HFAA Cc1ncsc1C(=O)NCC1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 952983225 OXLRTUMMMAIIKU-AWEZNQCLSA-N 404.561 2.996 0 50 HFAA Cc1nccn1-c1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cscn2)cc1 1857685214 QRZBVBQFGLEYST-OALUTQOASA-N 407.499 2.653 0 50 HFAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NC2Cc3ccccc3C2)C1)c1ccccc1 1857687358 UAQGYVIOUYEANJ-WIOPSUGQSA-N 403.526 2.697 0 50 HFAA CCCO[C@@H]1C[C@@H](c2nc(CC(=O)NC)nn2-c2ccc(C)c(Cl)c2)CC[C@H]1N 1857714745 KCPTZRGPYFSTLK-BMGDILEWSA-N 419.957 2.908 0 50 HFAA C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(CCO)C(=O)O 2325851531 BHVOLRKVHMKTNJ-BBATYDOGSA-N 412.895 2.959 0 50 HFAA CCc1cccc(C)c1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 1119587 LMOTVOPSKOSVDK-UHFFFAOYSA-N 406.504 2.979 0 50 HFAA Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 1160986 XESIMQDFESAIIX-UHFFFAOYSA-N 411.321 2.694 0 50 HFAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cc(F)ccc3F)CC2)O1 11841712 RKOZSVQKOGJODH-QGZVFWFLSA-N 404.461 2.642 0 50 HFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC 14744804 NYFKZXMWCXKTGZ-QGZVFWFLSA-N 403.523 2.739 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCCn2cncn2)C1)NCc1ccc(F)c(F)c1 14981653 XPTOJWKHZZZGKC-MRXNPFEDSA-N 419.476 2.672 0 50 HFAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 18163265 KDOOIIJQDDHACY-ZIAGYGMSSA-N 423.903 2.966 0 50 HFAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C 20455918 AACFGJCZVPUWDW-UHFFFAOYSA-N 407.518 2.827 0 50 HFAA CCc1nn2c(ncc3c(=O)n(N4CCN(C)CC4)ccc32)c1-c1ccc(Cl)cc1 40397471 CEIOHSYUAXTAAJ-UHFFFAOYSA-N 422.920 2.810 0 50 HFAA CN(Cc1cccc2ncccc12)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55054573 CVJOCZMQBPMAQM-JOCHJYFZSA-N 420.488 2.723 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 67604678 GQPIKIPQSOQVLQ-UHFFFAOYSA-N 404.474 2.515 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@H]4COCCO4)co3)cc2c1 67758536 XBSSSHAPFLPNDF-IBGZPJMESA-N 412.442 2.903 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NC[C@@H](C)O)nc2c1=O 72435791 XISABOHRMXCVIH-CQSZACIVSA-N 414.893 2.893 0 50 HFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 148733525 KJIIGGDRZPNWLW-UHFFFAOYSA-N 423.304 2.830 0 50 HFAA COC(=O)c1cccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)c1 263619378 YMCSTPRINMOEJG-UHFFFAOYSA-N 403.438 2.799 0 50 HFAA Cc1cc(=O)c(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)c[nH]1 426399213 LBCZQKURPWYSKF-DEOSSOPVSA-N 407.514 2.771 0 50 HFAA CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1ccc(Oc2ccccc2)cc1 756944308 NCVCRDLKCGKATB-LJQANCHMSA-N 407.513 2.804 0 50 HFAA COCCCn1cnnc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 824396245 CAYNYPYDXDVQGQ-UHFFFAOYSA-N 402.458 2.855 0 50 HFAA COc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 1260975196 OWNKRWIIJFIRIF-HNNXBMFYSA-N 408.907 2.932 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1 1704339988 AUNMDPVXWMEZKA-UHFFFAOYSA-N 405.458 2.580 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCN(C(=O)c2ccoc2)CC1 1772705910 WTVVBAFEYYTYCD-UHFFFAOYSA-N 404.850 2.621 0 50 HFAA COc1ccc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cn1 1857668434 IPQUMCJYJQVOKF-QHCPKHFHSA-N 417.469 2.768 0 50 HFAA O=S(=O)(c1ccc2oc(O)nc2c1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857671045 MWZKAPBLLYPQCY-DLVCFXQMSA-N 414.483 2.680 0 50 HFAA COc1ccc(-c2nc(CCNC(=O)c3cccc(S(C)(=O)=O)c3)co2)cc1 1875252570 MLYIQRUOHGWOAY-UHFFFAOYSA-N 400.456 2.726 0 50 HFAA C/C=C/C=C/C(=O)Nc1ccc(C(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)cc1 1875255255 UPHDCFAVYCTXPR-HEJMSNCCSA-N 420.469 2.764 0 50 HFAA O=C(O)c1cncc(-n2cc([C@@H](CC3CCC3)NC(=O)c3cncc(F)c3)nn2)c1 1875324681 IQRUCAUEWPFIQU-QGZVFWFLSA-N 410.409 2.556 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)CC1 1875365447 URRSIBZEQFBGPW-CYBMUJFWSA-N 400.401 2.653 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCCC3)cc1 804443 YSRCLMBCKYKCBM-INIZCTEOSA-N 421.544 2.822 0 50 HFAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 804543 BWBBGMKWKBEXQJ-LJQANCHMSA-N 404.488 2.504 0 50 HFAA COc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(OC)cc3)nc2)cc1 1112893 QDHKDCFNNHFXTN-UHFFFAOYSA-N 405.454 2.959 0 50 HFAA CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(N)cc(=O)[nH]3)sc2c1 4385485 BHBJKAMCDTUMSR-LLVKDONJSA-N 405.505 2.870 0 50 HFAA Cc1ccc(F)c(CN[C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)c1F 14750066 CONKUVSYCBNKJC-AWEZNQCLSA-N 420.529 2.843 0 50 HFAA CCCNC(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 14981501 AJFLZBNZERNNHB-HXUWFJFHSA-N 400.567 2.641 0 50 HFAA COC(=O)/C=C1/N=C(Nc2nc(C)cc(C)n2)N(c2cccc(C(F)(F)F)c2)C1=O 17161395 WOKAXDDOFOHOCP-NTEUORMPSA-N 419.363 2.984 0 50 HFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 38790857 UIGHCCXLGAIKDC-UHFFFAOYSA-N 408.889 2.913 0 50 HFAA Cc1ccc2c(c1)CN(CC(=O)NC[C@@H]1COCCO1)C[C@@H](c1ccsc1)O2 39372105 JZXZWMHOAUDOFO-QUCCMNQESA-N 402.516 2.524 0 50 HFAA CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(CN3CCCCC3)C2=O)cc1 54360500 YZBXIWVRPZDKCR-MRXNPFEDSA-N 419.503 2.699 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1OC 71375759 LXVKUZODGCZCKT-UHFFFAOYSA-N 411.483 2.841 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C 77522698 OGQOMYVOJQWGSX-MTQWNXOMSA-N 417.509 2.639 0 50 HFAA CCOC(=O)c1cnn(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 95704766 APOJMYHWQWPYGB-UHFFFAOYSA-N 401.467 2.501 0 50 HFAA CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 170602261 ACXDQOGILOMMQE-UHFFFAOYSA-N 423.390 2.706 0 50 HFAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 170631070 ARFBMCCHJDKFLG-OXFYSEKESA-N 416.518 2.768 0 50 HFAA OCc1cccc(N(Cc2nnnn2CC(F)(F)F)C2Cc3ccccc3C2)c1 470869845 LSMVYOIZGDNQRB-UHFFFAOYSA-N 403.408 2.902 0 50 HFAA C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 684751272 GVVLJDPTXFXBAW-GJZGRUSLSA-N 411.535 2.777 0 50 HFAA CC(=O)N1CCC(CC(=O)NCc2ccc(F)cc2)(N2Cc3ccccc3C2=O)CC1 952963373 PJANCEKOKLCOAR-UHFFFAOYSA-N 423.488 2.869 0 50 HFAA CC(C)c1nccc(CN2C[C@@H]3CN(C(=O)CCc4ccsc4)C[C@]3(CO)C2)n1 1772818804 LKELJQSEJZWMQA-GCJKJVERSA-N 414.575 2.547 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(C(C)C)on2)C1 1857696331 WIJLGLDDSSPXLN-QMHWCDLVSA-N 418.582 2.627 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(C(=O)CCc3cccc(F)c3)C[C@]23CC[C@H]1O3)c1ccco1 1857736387 RPTHBISWDZMUDC-RTXPOLOASA-N 412.461 2.787 0 50 HFAA CCOc1ccc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1CO 1857740479 PEQGDSYVPCBFOI-FJIJXJHWSA-N 408.498 2.852 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCN2CCCCC2=O)CC1 1875244268 PEXXGWMAFKRRCQ-UHFFFAOYSA-N 414.550 2.689 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnc(C)[nH]4)C3)[C@@H]3CCCC(=O)N23)c1 2356135994 BWISFAOUQYCEBN-KSCDAYEDSA-N 422.529 2.811 0 50 HFAA O=C([C@@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1ccsc12 2356155919 NRWSYUXXIHMXPF-MRXNPFEDSA-N 412.511 2.897 0 50 HFAA COc1ccc(Br)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 851086 JICBMKRSRLFDHC-UHFFFAOYSA-N 400.250 2.665 0 50 HFAA Cc1cc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)ccc1Br 1057559 NEQOYXJPLLFTBH-UHFFFAOYSA-N 403.342 2.782 0 50 HFAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3ccc4c(c3)OCO4)CC2)N1 12039994 SJSPHLZNUWROLK-DEOSSOPVSA-N 421.497 2.838 0 50 HFAA COC(=O)[C@H]1CCCCN1C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12057508 VYASSZHMNFPYLM-GOSISDBHSA-N 410.474 2.823 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 12298437 KGSIPHUYPVTXOT-SFHVURJKSA-N 400.523 2.880 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](CCCO)C2)n1CCc1ccccc1 15073719 KGDJZIMRQKDHPX-HXUWFJFHSA-N 419.591 2.904 0 50 HFAA CC(C)Cn1c(CN(C)Cc2cccnc2)cnc1S(=O)(=O)C[C@@H]1CCCO1 15080710 MWNWZVHIPREISJ-IBGZPJMESA-N 406.552 2.519 0 50 HFAA CCOc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)ccc1O 20600584 ZCECVBQWYUEGKH-NRFANRHFSA-N 405.583 2.532 0 50 HFAA CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 115875596 BIEXDVVZCIJGBL-OALUTQOASA-N 421.497 2.959 0 50 HFAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1ccccc1)c1nccn1C 218498279 RSCFZXWHPJDZQA-PZJWPPBQSA-N 420.513 2.897 0 50 HFAA O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239222065 UHLFKXNYBAAKTC-YXUGBTPSSA-N 402.406 2.949 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 409414022 ZRGQSVHMGYCBRZ-SFHVURJKSA-N 409.442 2.721 0 50 HFAA biogenic COCCN1CC[C@H](CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 670472544 NSHNKXDBBZQQOZ-OAQYLSRUSA-N 407.558 2.943 0 50 HFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(C(=O)CCCn1cncn1)CC2 824619857 VACZFMOXLOSNBR-JOCHJYFZSA-N 407.474 2.645 0 50 HFAA O=C(c1cc(=O)c2ccccc2o1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857673206 PBUYZRWISNDWEA-HSZRJFAPSA-N 404.422 2.683 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cs3)CC2)c(F)c1 1875261701 JWIARFVVWCOMHM-UHFFFAOYSA-N 412.512 2.814 0 50 HFAA O=C(c1cnsc1)N1CC[C@]2(CCN(C(=O)c3ccc(Br)o3)C2)C1 2325841230 JYAQKMOJLUDVHI-INIZCTEOSA-N 410.293 2.877 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(F)cc(F)c2)C1 2325889437 QMIBRKSVADSNAZ-KDOFPFPSSA-N 405.445 2.709 0 50 HFAA CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 882250 BRATWIAGEUUOTN-JKSUJKDBSA-N 418.490 2.926 0 50 HFAA Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 1058168 TXWPQXBKAWVQPS-UHFFFAOYSA-N 413.543 2.742 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 1198912 GZLOWLMNGLPREA-SFHVURJKSA-N 406.479 2.625 0 50 HFAA CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NC1CCCCC1 4196546 LHYLFVHUVUOSNR-UHFFFAOYSA-N 421.592 2.873 0 50 HFAA COc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1OC 4708467 KTDWVQNSQKWLKC-CYBMUJFWSA-N 404.426 2.678 0 50 HFAA O=C(NCCc1ccccc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 13545245 UDPYKVFGKWMUNY-NRFANRHFSA-N 415.559 2.770 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1 16650719 ZISTXPZWMZUBQK-UHFFFAOYSA-N 409.533 2.808 0 50 HFAA Cc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1S(=O)(=O)N1CCOCC1 17070364 KNNCGWUDNPPWBD-UHFFFAOYSA-N 416.547 2.709 0 50 HFAA CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCC2=CCCCC2)cc1 55408863 KEZCRCISUVKQPR-UXHICEINSA-N 411.589 2.668 0 50 HFAA CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@H]1O 72442135 SBNAYFUCWOBHDX-ZWKOTPCHSA-N 414.955 2.503 0 50 HFAA O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772730 LNXXBCBTHCIXTI-CQSZACIVSA-N 405.433 2.895 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC[C@@H](CN(C)C)c2ccccc2)cc1 225422492 UGOLYNLIASBMRD-QYQICGCLSA-N 409.530 2.675 0 50 HFAA COc1ccc(C2=C/C(=C(\O)N=c3cc(C)[nH]n3[C@H]3CCS(=O)(=O)C3)N=N2)cc1 334159303 XIWRGKJGIKIDHI-HHXUGGDDSA-N 415.475 2.628 0 50 HFAA NC(=O)c1csc(S(=O)(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)c1 670440180 FXDSSDBKYLDRAR-KRWDZBQOSA-N 407.561 2.570 0 50 HFAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C[C@@H](NC(N)=O)c1ccccc1 790206604 NOFCCEMMGGTBFI-DNVCBOLYSA-N 410.474 2.962 0 50 HFAA CN1CCC[C@@]2(C(=O)NCCCn3ccnc3)CCN(CC3CCCCC3)C[C@H]12 1857688284 AIEIEZXNLXUMMC-JTHBVZDNSA-N 401.599 2.756 0 50 HFAA O=C(NCCCN1CCCC1=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857701343 PIDNGRUNFUIRHG-AWEZNQCLSA-N 404.898 2.826 0 50 HFAA N[C@H]1CCc2nn(Cc3c(Br)cccc3Br)c(=O)cc2C1 1875347523 WPSUVPXUWAXKQU-JTQLQIEISA-N 413.113 2.633 0 50 HFAA CCN=c1cc(-c2cn(C3CCC(C(=O)N(CCCO)C(C)C)CC3)nn2)cc[nH]1 1875356678 QARVRLVANOVQPX-UHFFFAOYSA-N 414.554 2.545 0 50 HFAA CCc1nc(O)ccc1-c1nc(-c2ccc(C(N)=O)cc2)nn1[C@@H]1CCCC[C@H]1O 2356156337 WOLYHGPQIYHIFG-QZTJIDSGSA-N 407.474 2.850 0 50 HFAA Cc1cccc(C)c1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 637905 FWGSIZNGCZGXSA-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA COC(=O)COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c1 5563869 WFSRCNZDJBRWTH-IBGZPJMESA-N 411.483 2.670 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)C1CC1 12074681 IYPGOBLKUOYZOS-UHFFFAOYSA-N 406.442 2.815 0 50 HFAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 12078838 KLPMVSAAWUISNW-GOSISDBHSA-N 409.465 2.833 0 50 HFAA CCC(=O)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(OC)c2)C1 14532306 KLFGDJUKJKIXBA-JOCHJYFZSA-N 410.514 2.904 0 50 HFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NCc2ccccc2OC)c1 14882237 VVMNKXSLYPZTDJ-UHFFFAOYSA-N 422.485 2.788 0 50 HFAA O=C(NC1CCOCC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 19809878 WSRKSHJUNRLJAR-UHFFFAOYSA-N 409.486 2.674 0 50 HFAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610853 AFKZSFLLJIMEMQ-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA O=C(c1cn(CCc2ccccc2)nn1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 55060593 OXWWWGVWFXCMCV-HSZRJFAPSA-N 415.541 2.836 0 50 HFAA CSc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(=O)N1CCOCC1 72442477 QCHKRDOHUPTSED-UHFFFAOYSA-N 410.561 2.660 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N[C@@H]3CCCN(Cc4cccs4)C3)ccc2N1 828281749 UGEPEAGXIVHIAI-OAHLLOKOSA-N 405.545 2.576 0 50 HFAA CCc1cccc(NC(=O)CCC(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 952984618 PTZKHNHWEANNOV-UHFFFAOYSA-N 400.523 2.764 0 50 HFAA Cc1ccc(C(N)=O)c(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857671598 KMFQWTBPTICSGB-HSZRJFAPSA-N 416.485 2.531 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=N[C@H]2CCCN(C)C2)CC1 1857687664 YRIMCXHWPGHUBW-FQEVSTJZSA-N 419.573 2.898 0 50 HFAA Cc1ncc(C(=O)NC[C@H]2[C@H]3CN(Cc4ccccc4Cl)C[C@]34CC[C@H]2O4)[nH]1 1857727819 BAPLHANLSAYZMW-VXIWKAIFSA-N 400.910 2.781 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2cc3ccccc3n(C)c2=O)[C@H]1c1ccccc1 1857735347 DOOHLNPLVFRGCG-VXKWHMMOSA-N 405.498 2.682 0 50 HFAA NC(=O)c1ccc(CSc2ccc(C(=O)N3CCc4c(O)ncnc4C3)cc2)cc1 1875259284 GURMNWPPHMSXOJ-UHFFFAOYSA-N 420.494 2.772 0 50 HFAA Clc1ccc2c(c1)C(N1CCN(CCn3cnnn3)CC1)=Nc1ccccc1O2 2325901804 YWOUNDUKANCQRS-UHFFFAOYSA-N 409.881 2.828 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3cn(-c4ccccc4)nn3)CC1)OCC2 2356148520 CGQDMTPMNQORGA-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA Cc1ccnn1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 2794655 LQKXNXBJIXZQHY-UHFFFAOYSA-N 419.334 2.569 0 50 HFAA COCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2965004 ADPJLIJNMYZKME-UHFFFAOYSA-N 417.314 2.951 0 50 HFAA CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 3483132 VCEJVNGCSCKIQH-UHFFFAOYSA-N 404.488 2.667 0 50 HFAA COc1cc([C@@H]2c3cc4c(c(O)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 3871714 HLBPOYVRLSXWJJ-AFBMGJRZSA-N 414.410 2.624 0 50 HFAA biogenic,in-vitro O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1ccccc1 4570464 WNUHIBKAIQSZTJ-CQSZACIVSA-N 418.540 2.796 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 11879636 JEWATESOOMOJAS-GOSISDBHSA-N 407.449 2.991 0 50 HFAA Cc1cc(-n2cccn2)ccc1CN1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 12304619 ANQWAEIFAAMNDO-DNQXCXABSA-N 405.546 2.685 0 50 HFAA COCCn1c(CN(C)[C@H](C)c2ccccn2)cnc1S(=O)(=O)CCC(C)C 12317437 HHKFQRYOWLWLCD-QGZVFWFLSA-N 408.568 2.937 0 50 HFAA CN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCCN(Cc4ccccc4F)C3)cc2C1=O 12453792 ORJQMWHTQMYOEN-KRWDZBQOSA-N 409.461 2.788 0 50 HFAA CCOC(=O)[C@H]1CCCN(C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 12716387 JTURFYKVZJKCMU-KRWDZBQOSA-N 413.497 2.922 0 50 HFAA CC(C)N1C[C@H](OCc2ccc(F)cc2)CN(C(=O)C(=O)c2ccccc2)CC1=O 14535353 YTQSSYOBPSATPY-HXUWFJFHSA-N 412.461 2.673 0 50 HFAA O=C1N[C@H](Cc2ccccc2)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 14539217 PZAKEFMRFTXBAE-SXLOBPIMSA-N 405.523 2.702 0 50 HFAA CCOC(=O)N1CCC(N2C(=O)CC[C@H]2CCNCCOc2ccc(F)cc2)CC1 15072035 ZMOJGKCAPPSGSO-SFHVURJKSA-N 421.513 2.796 0 50 HFAA CCCCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OC 16115330 RNZHJCYICFDFLG-PDGQHHTCSA-N 408.483 2.948 0 50 HFAA COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1O 19745109 FRAXZBZWBANRNC-UHFFFAOYSA-N 408.502 2.844 0 50 HFAA C[C@H]1CCCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1 67603603 QLFJXDWVJRDASF-AWEZNQCLSA-N 401.960 2.588 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 95522347 GWHHZJDMJMKATD-ZDUSSCGKSA-N 403.932 2.586 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)CC1 104358608 DXFBONKKLHMOLG-HSZRJFAPSA-N 411.594 2.614 0 50 HFAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1C 169752550 JODVZEYTGZKHFN-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA COc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)cn1 169781056 LXTZAAVAFDZBTO-UHFFFAOYSA-N 417.469 2.613 0 50 HFAA CC(C)(CN(C(=O)c1cccc2c1OCO2)C1CC1)NC(=O)c1cccc2c1OCO2 170595612 NSTVSJLZPFJCLT-UHFFFAOYSA-N 424.453 2.957 0 50 HFAA CCCS(=O)(=O)N1CCC(NC(=O)NCCc2csc3ccccc23)CC1 195634366 RBCQAVVKFMHHFC-UHFFFAOYSA-N 409.577 2.947 0 50 HFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(C4CSCCSC4)C[C@H]32)cc1 207067599 GFDUJCOGNZLZNY-MOPGFXCFSA-N 408.589 2.981 0 50 HFAA CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239338611 KUYCXVIVTIVWJU-RJCKODPZSA-N 421.493 2.879 0 50 HFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)o2)c1C 952872220 KVGWGRMNIVVAKI-OAHLLOKOSA-N 414.487 2.965 0 50 HFAA C[C@@H]1CCCN(C(=O)CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 1263136287 ZKLVJCJMMAHLNS-MLGOLLRUSA-N 402.322 2.975 0 50 HFAA C[C@]1(c2cccc(CNC(=O)N[C@H]3CCCc4c(F)cccc43)c2)NC(=O)NC1=O 1468501592 YEAZZYQOWDIFBQ-PGRDOPGGSA-N 410.449 2.757 0 50 HFAA CCN(C)C(=O)[C@@]12CCCN(C)[C@H]1CN(C(=O)CCc1c[nH]c3ccccc13)CC2 1775978130 BKLCZMLBEKDGMM-XUZZJYLKSA-N 410.562 2.892 0 50 HFAA O=C(COC[C@@H]1CCCO1)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2 1857694041 XTTMODKCQCITRT-ZSQPIZSOSA-N 424.900 2.642 0 50 HFAA O=C1CO[C@@H](Cn2ccnc2-c2cccc(O)c2)CN1CC1CCN(CC2CC2)CC1 1857733503 MMGMEEWSWFHHQG-QFIPXVFZSA-N 424.545 2.605 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC[C@H]1COc2ccccc2O1 1940193693 IUZJUFXUPQXFMK-SFHVURJKSA-N 420.465 2.924 0 50 HFAA Cn1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(-c2cccc(Cl)c2)n1 11663144 AGXFLNUCDPKGPZ-QGZVFWFLSA-N 402.926 2.811 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1Cc1ccccc1 11663817 USHZBDHNKIREOE-UHFFFAOYSA-N 413.547 2.783 0 50 HFAA COc1ccccc1-n1cc(CNC(=O)CN2Cc3ccccc3O[C@H](C)C2)cn1 12026490 MRMJNDDPKYGCPB-QGZVFWFLSA-N 406.486 2.780 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)c4ccnn4C)CC3)cc2)n1 12711701 PEYYUTKDTDJLIC-UHFFFAOYSA-N 406.490 2.714 0 50 HFAA COc1cccc(-c2cc(CC3(O)CCN(Cc4cnc(OC)nc4)CC3)on2)c1 15063030 IFNPWUVUZQAZDP-UHFFFAOYSA-N 410.474 2.718 0 50 HFAA Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 15066664 SMDINIHYZJMXMF-NRFANRHFSA-N 423.557 2.509 0 50 HFAA COc1ccc(CN2C=C(C(=O)OCc3ccccc3F)C(C)=NS2(=O)=O)cc1 169755172 HNOAYWCQMJWGGW-UHFFFAOYSA-N 418.446 2.983 0 50 HFAA C[C@H](O)CN(C(=O)Nc1ncc(-c2ccccc2)s1)C1CCS(=O)(=O)CC1 170613494 HIQLFFDCAXKEIG-ZDUSSCGKSA-N 409.533 2.602 0 50 HFAA CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3cc(Br)ccc3N12 245256780 SQIIDXZKTKKGEG-BARDWOONSA-N 403.276 2.537 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1S(=O)(=O)NC(C)C 253372358 FAVYGRFALVFNGT-HSFUPAIVSA-N 406.548 2.936 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 328594955 GPZUNFDMGAAZIL-SJORKVTESA-N 408.424 2.933 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccn4C)C3)C2=O)c1OC 426379605 CSSKVDHBIYKYOH-QHCPKHFHSA-N 411.502 2.697 0 50 HFAA CC[C@@](O)(C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC)c1cccc(Cl)c1 800524487 JZTDXPDHZWAIGZ-XLIONFOSSA-N 409.841 2.814 0 50 HFAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 952974123 HQFGAWIPLJIPAJ-NRFANRHFSA-N 422.529 2.795 0 50 HFAA CN(CCn1cc(CC2(C(=O)O)CCCCC2)nn1)C(=O)C1([C@@H]2CCCCO2)CC1 1875355494 LKPRMVKHKBFACT-SFHVURJKSA-N 418.538 2.663 0 50 HFAA CSCC[C@H](N=c1nc(Cl)nc(N2CCCCC2)[nH]1)C(=O)OC(C)(C)C 2325809449 MEPNIUXGIMYZHQ-LBPRGKRZSA-N 401.964 2.813 0 50 HFAA CCN(CC)CCn1c(=N)n(C[C@@H](O)COc2ccc(OC)cc2)c2ccccc21 789765 WXRNCFBNFDNYST-GOSISDBHSA-N 412.534 2.713 0 50 HFAA Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC[C@@H]3CCCO3)nc2s1 1060507 IFEAXNMIQPVZPQ-ZDUSSCGKSA-N 419.528 2.795 0 50 HFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 1141368 OSQIBESMJYVTEL-INIZCTEOSA-N 417.531 2.928 0 50 HFAA CCc1cccc(CC)c1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 2879421 QOYLGCASMISSMS-UHFFFAOYSA-N 404.488 2.945 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 4806473 GVMOJJSNQMXKEJ-SGTLLEGYSA-N 424.881 2.652 0 50 HFAA CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1ccc(C)cc1 12156619 HZAFALLIEODKGT-RTWAWAEBSA-N 420.517 2.512 0 50 HFAA CC(C)=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 12245618 UDOUZIZIPVYVDW-LJQANCHMSA-N 410.566 2.886 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 14531582 GFBJCXUBKISHHN-LJQANCHMSA-N 414.525 2.798 0 50 HFAA CCCn1cc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c(C)n1 15073860 DSBMDDHQCVFXLS-QGZVFWFLSA-N 400.527 2.610 0 50 HFAA CN1CCC[C@H](CN(C)C(=O)c2cc(-c3cnn(CCO)c3)nc3ccccc23)C1 63872558 QXFVDOQFNMJBPP-KRWDZBQOSA-N 407.518 2.504 0 50 HFAA O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764105 YCPMPIGWDCJBQM-UHFFFAOYSA-N 414.849 2.735 0 50 HFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1nc(-c2ccsc2)no1 263616100 HAQBDZOZLZNDSI-UHFFFAOYSA-N 405.439 2.815 0 50 HFAA CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(OCC(N)=O)c2)c1 466217817 REOAPTKEMUWLQZ-UHFFFAOYSA-N 404.854 2.874 0 50 HFAA O=C(CCCC(=O)c1ccccc1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670450029 FRCCDQPHFBUPTO-DOTRQFKVSA-N 417.553 2.723 0 50 HFAA O=C(NC[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1)c1cn2ccccc2n1 828215566 XCKXEHPWXKHKOP-INIZCTEOSA-N 404.474 2.959 0 50 HFAA O=C(Nc1ccc(-n2nccn2)nc1)c1cnn(-c2ccccn2)c1C(F)(F)F 915144814 BPBFFIKCUOGUBW-UHFFFAOYSA-N 400.324 2.514 0 50 HFAA NS(=O)(=O)c1cccc(NC(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)c1 1290162610 XROMWWOVHSBDBM-VNQPRFMTSA-N 407.289 2.621 0 50 HFAA CCOc1ccccc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529101804 MYCMXKJZHCMFQA-NHCUHLMSSA-N 401.459 2.677 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1F 1704335536 OKHDNVPQQUFTQD-ZDUSSCGKSA-N 402.470 2.769 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC2(CC1)CN(C)CCO2 1772814774 AZXAWBLHYSHQDN-UHFFFAOYSA-N 402.944 2.532 0 50 HFAA O=C(c1ccc(-n2cccn2)cc1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857684163 BFWFHAHEHCRMMF-HSZRJFAPSA-N 402.454 2.762 0 50 HFAA Cc1nc(CN2CCC3(CCc4c3nc(-c3ccccc3)[nH]c4=NCCO)CC2)co1 1857689592 TUVRHJLARYGFLN-UHFFFAOYSA-N 419.529 2.746 0 50 HFAA C[C@H]1N(C(=O)c2cc(F)ccc2Cl)CCC[C@@]12CCCN(CC(=O)N(C)C)C2=O 1940197482 UGTCONDJDRBCAB-SZNDQCEHSA-N 423.916 2.801 0 50 HFAA Cc1cc(C)c(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(C)c1 2082945810 GFUYIYSWMUOKPN-KRWDZBQOSA-N 424.522 2.916 0 50 HFAA CN(C)[C@@](C)(C(=O)NCCCNC(=O)[C@@](C)(c1ccccc1)N(C)C)c1ccccc1 2325724273 ZNRQVEVQGZLWLG-JWQCQUIFSA-N 424.589 2.563 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncnc4O)C3)[C@@H]3CCCCN23)c1 2356142391 QDCLGGSJGVJCTA-KSCDAYEDSA-N 422.529 2.749 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2cccc(C)c2)cc1 1133099 MVHBPIRVKAPOLK-FQEVSTJZSA-N 416.543 2.790 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1 1202025 VVNDZXQQZAHENC-UHFFFAOYSA-N 415.405 2.879 0 50 HFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 2478412 YLJVLDDAGCWCEB-ISZGNANSSA-N 411.252 2.911 0 50 HFAA O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccccn2)CC1 4271833 RMLVGWJWYCXKAS-UHFFFAOYSA-N 414.259 2.913 0 50 HFAA CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 7005223 XFNVFQDHKFEOFP-UHFFFAOYSA-N 422.503 2.931 0 50 HFAA CN(C(=O)c1cccc(N2CCNC2=O)c1)[C@@H]1CCCN(CCc2ccccc2)C1 12576835 VWTRQHCBGFIRLU-JOCHJYFZSA-N 406.530 2.995 0 50 HFAA CN(CC[C@H]1CCCCO1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12718467 NCOHKKMFJBKLNJ-QGZVFWFLSA-N 411.462 2.866 0 50 HFAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(SC)cc1)CC2 14535627 QTOPJURTQMCLER-UHFFFAOYSA-N 404.580 2.589 0 50 HFAA CCn1ccnc1CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 15064786 IFPQGNZFBXRPQG-OAQYLSRUSA-N 409.578 2.896 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 17092407 XJOOZNQCJHTPNB-UHFFFAOYSA-N 420.575 2.979 0 50 HFAA CCn1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C 23358087 DYVCJFZJCBYAHD-NRFANRHFSA-N 400.567 2.906 0 50 HFAA O=C(O)CC[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1N1CCOCC1 91906634 DGIHFZPPPCAFNN-SJORKVTESA-N 402.520 2.597 0 50 HFAA Cn1cc([C@H]2[C@H](CNC3CCN(c4nccs4)CC3)CC(=O)N2C(C)(C)C)cn1 225408083 AGZCXSLMAQQICU-HNAYVOBHSA-N 416.595 2.823 0 50 HFAA CSCC[C@H](C(=O)Nc1ccc2nc[nH]c2c1)n1c(O)nc2ccccc2c1=O 888089700 ZVKLTULXCVHFHE-QGZVFWFLSA-N 409.471 2.911 0 50 HFAA CCn1nc(C)c(CN2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1C 1857703055 HDLIZXVLIHTXCC-VXKWHMMOSA-N 400.571 2.681 0 50 HFAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NCCCOC3CCCCC3)nc12 1875350638 VMJPSSJOWZKGHH-UHFFFAOYSA-N 411.462 2.557 0 50 HFAA Cc1nc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2325875923 FXICRHGJMAYFIN-INIZCTEOSA-N 416.275 2.919 0 50 HFAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4csc5ccccc45)cccc3C2=O)C(=O)N1 2325895750 IOYHWFFZFRETOK-QGZVFWFLSA-N 419.462 2.915 0 50 HFAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 652646 OVUBCSGFLIFLBP-CYBMUJFWSA-N 408.476 2.506 0 50 HFAA O=C(NC[C@H]1CCCO1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 2202127 NBMGFANRGOHZKM-QGZVFWFLSA-N 402.454 2.606 0 50 HFAA COc1ccccc1CCC(=O)NCCc1nnc(SCc2ccccn2)n1C 11791122 AWVKRSLVHDDAOR-UHFFFAOYSA-N 411.531 2.803 0 50 HFAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)C(C)C 11842741 LHAVXLPMTBWBAI-HSZRJFAPSA-N 423.557 2.928 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)NCC(C)(C)CO)CCC(=O)N2)c2ccccc12 12098395 PAPDHYNNXDPUHH-DEOSSOPVSA-N 412.530 2.955 0 50 HFAA COc1ccc(CCN2CCC(CN(C)C(=O)CN(C)Cc3ccncc3)CC2)cc1 12449071 GUACVFSVDJASAR-UHFFFAOYSA-N 424.589 2.935 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C)cc1 15061628 XXWNNHQYDJKODH-XOPAWIAISA-N 421.541 2.866 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 15066613 HBSUWQHTVUNIDB-SFHVURJKSA-N 407.873 2.730 0 50 HFAA CN(Cc1cc[nH]n1)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 23505821 XJDHWVNORNSCKD-HSZRJFAPSA-N 406.530 2.840 0 50 HFAA CCNc1nc(C)cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 65362812 ONTNOSKGCMVLII-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA COc1cccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 67629875 RDBJPHUQAAATLE-UHFFFAOYSA-N 406.490 2.559 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccoc3)[C@H]4C2=O)cc1C 77285271 ICYWYEJURZRFOT-XARGGIHNSA-N 406.482 2.837 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)ccn1 77424990 MZWVGZIJXAHJIX-FUCAVZNHSA-N 417.509 2.952 0 50 HFAA Nc1nccc([C@@H]2CCCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C2)n1 170616221 KNFXOZBDXGLDKT-SNVBAGLBSA-N 404.389 2.875 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 230277293 LBGKSLBUGGDVDR-QRVLJTFESA-N 418.541 2.818 0 50 HFAA Cc1c(Br)cccc1CC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 253419979 QDBHGDYVNQAHOY-LIRRHRJNSA-N 420.303 2.909 0 50 HFAA CC(C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 821483421 WRQHJRKYFACMCE-AWEZNQCLSA-N 407.492 2.608 0 50 HFAA CCCCCc1nnc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 1505655303 KPWQTVUPTBTADY-UHFFFAOYSA-N 400.501 2.815 0 50 HFAA Cc1cccc(-c2nccn2C[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857667595 ZKTOKMATVXSFCU-OAQYLSRUSA-N 423.561 2.603 0 50 HFAA CN1CC[C@@H](CNC(=O)Cn2ncc3ccccc3c2=O)[C@H]1c1cccc(Cl)c1 1875258783 RVFUUIZKCBEZHU-LAUBAEHRSA-N 410.905 2.859 0 50 HFAA CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(C)c1 2356141745 OAUGEOXUSZPUJO-QHCPKHFHSA-N 407.518 2.930 0 50 HFAA Cc1noc([C@@H]2CCCCN2C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)n1 2356164497 VONAAEPUYQPOOC-HNNXBMFYSA-N 402.520 2.958 0 50 HFAA CO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)Nc1cccc(F)c1 2356166207 QOOOLYSGSQGSDF-KFKAGJAMSA-N 400.454 2.842 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2)cc1Cl 1061237 PGEWFAKKMJPKOU-UHFFFAOYSA-N 408.907 2.818 0 50 HFAA CC(=O)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1117522 SLBWOFSSRUIHKY-UHFFFAOYSA-N 421.519 2.732 0 50 HFAA COC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 1131207 TUCPSBJSYVWPTL-UHFFFAOYSA-N 409.485 2.986 0 50 HFAA CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 4762343 WXTRZLYMMMNVGE-VQTJNVASSA-N 411.502 2.684 0 50 HFAA CC(C)C[C@H](NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C(N)=O 11844651 LDUCWSNPADYOIF-QFIPXVFZSA-N 424.545 2.755 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)Cc1cscn1)C2 14744171 AZHAPUSGTYPIRD-MRXNPFEDSA-N 419.620 2.928 0 50 HFAA COc1cccc(CNc2ncnc3sc(C(=O)NC[C@@H](C)O)c(C)c23)c1OC 15000230 SILCZNWHYFSMHO-LLVKDONJSA-N 416.503 2.740 0 50 HFAA O=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 15919324 VQOGRCVHDBFICY-UHFFFAOYSA-N 416.322 2.942 0 50 HFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 17093246 ZSJXNPBQWHZXSJ-UHFFFAOYSA-N 422.572 2.580 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 19943486 VKOWNYNHAPZNCH-UHFFFAOYSA-N 424.906 2.584 0 50 HFAA CN(CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20535070 WHNIZZMVEDWOSF-OAQYLSRUSA-N 417.575 2.920 0 50 HFAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 21795763 GWMFZTATVCVBFI-UHFFFAOYSA-N 423.565 2.508 0 50 HFAA O=C(Nc1ccccc1S(=O)(=O)C(F)F)NS(=O)(=O)c1ccccc1Cl 22016171 QEBWJFAUNYEYMP-UHFFFAOYSA-N 424.834 2.847 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 22235425 LYGNCNLRIXRVFH-UHFFFAOYSA-N 403.482 2.919 0 50 HFAA COc1cc(CN(C)Cc2ncc[nH]2)ccc1OC[C@H](O)CN1CCCCCC1 95498177 JBGUDPGALQCQDO-LJQANCHMSA-N 402.539 2.666 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cnco3)C2)c(OC)c1 95512483 JVDUPUAVUBIZGQ-OAHLLOKOSA-N 401.463 2.641 0 50 HFAA Cn1cnc2cc(NC(=O)C[C@H]3N=C(O)N(Cc4ccccc4Cl)C3=O)ccc21 252570588 WVQHKOYCORAUOS-MRXNPFEDSA-N 411.849 2.880 0 50 HFAA CCn1c(O)nc2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2c1=O 263639619 ANADQSNINRCADA-UHFFFAOYSA-N 419.407 2.862 0 50 HFAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3(c4ccc(F)cc4F)CCC3)c2C1 487329557 XZPHKYLBLWDMHT-CQSZACIVSA-N 402.445 2.669 0 50 HFAA CC(C)n1c([C@H](C)NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089373 XUSSRWJHDNJTIP-KBXCAEBGSA-N 419.485 2.935 0 50 HFAA Cc1nc(CC(=O)NC[C@@H]2CCCN(C(=O)COc3ccccc3C)C2)cs1 952872269 MFGYKPBDBIMJIJ-KRWDZBQOSA-N 401.532 2.736 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704344461 QMUJBKXOANEQIP-XMMPIXPASA-N 416.529 2.910 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 1875386528 SIIJOJVTZBOUGN-UHFFFAOYSA-N 415.497 2.744 0 50 HFAA COC(=O)c1sncc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc(Cl)c1 2325823866 GMOXPEOPROCYSG-ZDUSSCGKSA-N 406.851 2.850 0 50 HFAA Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1Cl 2777644 FLUZYYSFUCVJLK-QMMMGPOBSA-N 405.911 2.970 0 50 HFAA CCn1ncc(Br)c1CNC(=O)CCn1cc(Br)c(C)n1 2805137 MVNFRQWRVUFEGT-UHFFFAOYSA-N 419.121 2.639 0 50 HFAA O=C(Nc1ncccn1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 2874716 TXIQROQPCRSZPZ-CYBMUJFWSA-N 401.275 2.575 0 50 HFAA CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(OC)cc1 9010401 QLIJGJIDWPFYHV-OAHLLOKOSA-N 420.516 2.819 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ocnc3C)C2)c(OC)c1 11762147 VPOJUGADOCPOGY-INIZCTEOSA-N 415.490 2.949 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4ccc(C)n4)C3)C2)c1OC 11842555 BECIOUJYWQNCRX-HSZRJFAPSA-N 412.534 2.723 0 50 HFAA CC(C)(C)NS(=O)(=O)c1cc(NCCO)cc(C(=O)Nc2cccc(F)c2)c1 14744880 XHNUDSGGDYGFJF-UHFFFAOYSA-N 409.483 2.559 0 50 HFAA CCN(CC)CCN(C)C(=O)c1ccc(-c2ccsc2)nc1N1CCN(C)CC1 14884360 XJJJYNADIWQPJV-UHFFFAOYSA-N 415.607 2.976 0 50 HFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 17093244 IUUIBSXIDACADS-KRWDZBQOSA-N 422.572 2.895 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19536496 WLFHIKOIDJPYLC-UHFFFAOYSA-N 400.475 2.759 0 50 HFAA CN(C)CCOc1ccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 23357991 ZGHDGPMAOYCXJB-NRFANRHFSA-N 403.592 2.757 0 50 HFAA COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccc(F)cc3)CC2)n1 54147031 VCGNWTQBLPNLOR-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA Cc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCOCC2)n1 67604932 IREUONZNAQCAPX-UHFFFAOYSA-N 417.513 2.737 0 50 HFAA O=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 82098700 LTFQCNBMMXUEAM-QHCPKHFHSA-N 413.606 2.636 0 50 HFAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101695587 UACHUGDAXCCLKD-IYVPYFHTSA-N 405.292 2.981 0 50 HFAA O=C(Cc1ccc(F)cc1)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 169775648 NQFMKXKPHIAPIS-UHFFFAOYSA-N 408.408 2.800 0 50 HFAA O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169779901 WVFUSMUGAZNBTD-AWEZNQCLSA-N 418.482 2.997 0 50 HFAA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(F)cc2)cc1 245329212 YFJVTDOSLWIELC-FUMNGEBKSA-N 408.429 2.669 0 50 HFAA CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 430026564 QDVZHQWMEVUNBM-MRXNPFEDSA-N 406.483 2.843 0 50 HFAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@H]1c1ccc(F)cc1F 431291991 HHXBYPGQUQFIIU-HNNXBMFYSA-N 422.413 2.630 0 50 HFAA CC(C)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)n1 821483372 OVPDRAVIADOIFH-GFCCVEGCSA-N 407.521 2.841 0 50 HFAA COCCn1ccnc1CN1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1 824466613 YCWOOQHKRLKYTC-UHFFFAOYSA-N 412.460 2.784 0 50 HFAA Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827847772 NBRXCXQGHAEQKD-UHFFFAOYSA-N 407.470 2.895 0 50 HFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCNCCCNC2=O 1704317984 LWWYPZYTWWKFBA-UHFFFAOYSA-N 415.465 2.746 0 50 HFAA COc1cccc2c1C1(CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC1)OCC2 1704330649 ZDYPEVYFQJQZCV-GOSISDBHSA-N 410.518 2.515 0 50 HFAA CCCn1cc(C(=O)N2CC[C@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)c(C)n1 1875249548 AFCJLMULBABRES-NZQKXSOJSA-N 413.518 2.902 0 50 HFAA Cc1ccc([C@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)CCO2)o1 1875253136 WIQKCELZNHKYFG-DOTOQJQBSA-N 424.544 2.650 0 50 HFAA Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)CCO2)o1 1875253138 WIQKCELZNHKYFG-RDJZCZTQSA-N 424.544 2.650 0 50 HFAA Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@]12CCC(=O)Nc1ccccc1 1875307758 UNTAAILMAWFMFW-HSZRJFAPSA-N 415.453 2.826 0 50 HFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O 2325819525 HRAFGDCGZRUSSI-HIFRSBDPSA-N 406.891 2.755 0 50 HFAA Cc1nc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cs1 2325819747 OUCZMNROFKFXRU-NWDGAFQWSA-N 401.307 2.823 0 50 HFAA CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 633358 DEZIPVVGSRQDID-KRWDZBQOSA-N 418.515 2.576 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 658927 FGTGLNZSAZIHHU-CQSZACIVSA-N 422.503 2.896 0 50 HFAA O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 3334552 OOYICIFAWLPKNJ-FQEVSTJZSA-N 400.500 2.515 0 50 HFAA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 4891429 ZBGOEHJUVDCVDF-OQLLNIDSSA-N 401.396 2.943 0 50 HFAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 8741776 ZSDOFPOOXFKXDY-BXWFABGCSA-N 424.375 2.895 0 50 HFAA COc1cc(CN2CCC3(CC2)C[C@@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1O 11840628 UDAQKEQMUYGIBP-SOLBZPMBSA-N 418.534 2.647 0 50 HFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 11978312 WCAWEPGHCXFZBU-KRWDZBQOSA-N 407.401 2.674 0 50 HFAA O=C(NCCn1ccnc1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 12299792 GTVZCZJUFVLYRL-UHFFFAOYSA-N 405.502 2.752 0 50 HFAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 12410788 BGBADFQIGOQPRX-UHFFFAOYSA-N 413.861 2.851 0 50 HFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)C1(C(N)=O)CC1 12453643 MJBMWPIPKUJCTL-UHFFFAOYSA-N 411.468 2.684 0 50 HFAA CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1=O 13955733 AXGUZINBEZVGBA-SOLBZPMBSA-N 401.507 2.523 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3ncccc13)CC2 20202858 UHBVMLFFMFAQNI-INIZCTEOSA-N 416.485 2.969 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 23360816 CIBIYTYYIXWFRY-HXUWFJFHSA-N 422.529 2.541 0 50 HFAA O[C@H]1[C@H](n2nnc(C3(c4ccccc4)CCC3)n2)c2ccccc2C12CCNCC2 23398850 LUCDRAYQZUNWOV-RTWAWAEBSA-N 401.514 2.728 0 50 HFAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1csc(C(C)C)n1 23429356 STCRVIHPCVPPRY-GOSISDBHSA-N 400.548 2.582 0 50 HFAA CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 35354316 PDYCCCVVRQIIHF-FQEVSTJZSA-N 401.532 2.755 0 50 HFAA CC(=O)OC[C@H]1CC2=C(C[C@@H]1COC(C)=O)C[C@@H](COC(C)=O)[C@@H](COC(C)=O)C2 43198982 UBGPJHUSWLGIBL-YSFYHYPLSA-N 424.490 2.588 0 50 HFAA Cc1nonc1C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 67675651 JMWXKBOOGMDHQK-QGZVFWFLSA-N 423.439 2.824 0 50 HFAA Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)N3CCOCC3)C2=O)cc1 100771702 IAGQKMMFSVWXBD-LJQANCHMSA-N 410.495 2.892 0 50 HFAA CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc(F)cc2Br)cn1 225417729 CELJQDFUAKDOIB-OYLFLEFRSA-N 414.300 2.750 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 245242220 KHJADHKTWFJFGG-UECWXEIQSA-N 401.466 2.735 0 50 HFAA O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1CCOc1ccc(F)cc1 263617874 QDSKUYWEFTVNOJ-UHFFFAOYSA-N 420.404 2.669 0 50 HFAA CCc1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)on1 299779000 RHRFRGXROQITKZ-OAQYLSRUSA-N 417.481 2.647 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc(-c2cnco2)cc1 670451189 VNHOLSTUWIVNRY-JKJRPBHFSA-N 414.509 2.639 0 50 HFAA O=C(CCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)Nc1nncs1 952963981 KIGYTUGYHLKCLY-ZWKOTPCHSA-N 410.499 2.787 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c(C)s2)n[nH]1 952985855 AZBDAZCSEINMJG-UHFFFAOYSA-N 403.533 2.661 0 50 HFAA COc1nc2c(cc1CN1CCc3nc[nH]c3[C@H]1c1cccnc1)C(=O)N(C(C)C)C2 1506422598 QTCPXAUJAZGFOY-OAQYLSRUSA-N 418.501 2.720 0 50 HFAA CNc1ncccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698825 JTGLWDCVVUNNDR-HSZRJFAPSA-N 416.485 2.801 0 50 HFAA Cc1cc(S(=O)(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1-n1cnnn1 1875252064 ZCQMQDBDCROSJZ-RTBURBONSA-N 407.499 2.980 0 50 HFAA COc1ccc(NC(=O)COC(=O)CCCNC(=O)c2ccc(F)cc2)cc1OC 1875256245 LGQCWDVUIVPRSC-UHFFFAOYSA-N 418.421 2.535 0 50 HFAA COc1cc(-c2cc(=NC(=O)c3cccc4nccnc34)[nH][nH]2)cc(OC)c1OC 2100545275 MLNZJPLGCOQVGV-UHFFFAOYSA-N 405.414 2.720 0 50 HFAA CCN1CCCC[C@H]1C(=O)Nc1cccc(CNC(=O)[C@H]2CCCCN2CC)c1 2325720758 XOJFQWKWQNYIGU-RTWAWAEBSA-N 400.567 2.990 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnc(C)[nH]4)C3)c3cccc(=O)n32)c1 2356141009 UVDHBWSLSYBDDW-FGSXEWAUSA-N 418.497 2.932 0 50 HFAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 2728259 LWSBRQIJUJTXAJ-QGZVFWFLSA-N 409.467 2.957 0 50 HFAA CCOc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 4028134 ILMNYYUTPUOERC-MSOLQXFVSA-N 415.449 2.562 0 50 HFAA CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 4180685 CODCUTHESBBQAB-IBGZPJMESA-N 423.513 2.507 0 50 HFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1OC 4536352 FGAFIVCDSYNCEG-DNVCBOLYSA-N 404.463 2.834 0 50 HFAA O=C(c1cccs1)N1CCC(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 4727878 QHJMPFZHLMMEQB-INIZCTEOSA-N 417.918 2.928 0 50 HFAA COc1ccc(C2=NO[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC 6738548 QTTVZFVXHQWVGR-NRFANRHFSA-N 413.449 2.685 0 50 HFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@H]2CCCN(c3ncccn3)C2)c1 12034779 LYJHYXDAAIDCAT-SFTDATJTSA-N 423.561 2.873 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(CCc3cccc(OC)c3)o2)C1 12194264 UWUCJGNHSOXIMD-KRWDZBQOSA-N 415.490 2.598 0 50 HFAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12316448 GOTJNALRHRLTMR-OAHLLOKOSA-N 400.910 2.649 0 50 HFAA COc1ccc(CCN2C[C@H](C(=O)NCc3nc(C)c(C)s3)CCC2=O)cc1 12715295 GGNMYRQUCKJHMR-QGZVFWFLSA-N 401.532 2.866 0 50 HFAA CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2CC2)CC1=O 14749584 STQNQJIQFDFWTB-QGZVFWFLSA-N 414.424 2.960 0 50 HFAA CCCS(=O)(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1 15076591 OLHGEUVCRGHTRV-UHFFFAOYSA-N 406.508 2.521 0 50 HFAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1csc(C(C)C)n1 23429350 STCRVIHPCVPPRY-SFHVURJKSA-N 400.548 2.582 0 50 HFAA COc1ccc(-c2c(C)nn(CC(=O)Nc3cnn(C)n3)c2C)c2ccc(C)nc12 48224053 IGDXPTOGKUPJHU-UHFFFAOYSA-N 405.462 2.799 0 50 HFAA CCO[C@H]1C[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C12CCC2 170638863 SPJTWLQSMLMFSF-HOTGVXAUSA-N 423.307 2.638 0 50 HFAA CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1CCCOC1 225550919 UDLVKYXYVVLQQL-AWEZNQCLSA-N 400.313 2.984 0 50 HFAA Cn1ncc(Br)c1CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 225612063 VFVADLLNWDATJM-CYBMUJFWSA-N 401.667 2.870 0 50 HFAA COc1cccc2sc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)nc12 229657049 UBOVTZOITOPNTR-ITDIGPHOSA-N 406.533 2.969 0 50 HFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 241301047 LPXQSVWLHAXJQZ-ZWCUEREDSA-N 403.542 2.909 0 50 HFAA CC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)[C@H]2C(=O)N(C)C(=O)[C@@H]12 245257061 WCEBBFBGKAXAJX-CVFMPKEZSA-N 423.900 2.695 0 50 HFAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc(N4CCOCC4)c(F)c3)n2)c1 683891820 YYDLRBAULFIFOP-CQSZACIVSA-N 410.453 2.642 0 50 HFAA Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 828924904 DQIPLRYAAAHJCT-LJQANCHMSA-N 403.486 2.947 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 952980339 WKYFAIMXDCHOFJ-QGZVFWFLSA-N 407.561 2.695 0 50 HFAA Cc1ccc(CN2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)NCCOCCO)C3)o1 1857701909 YCDMQYNOFJASHT-BGWNEDDSSA-N 412.530 2.679 0 50 HFAA Cc1ccnn1CCC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857735627 IESCJWBOJWRETP-HSZRJFAPSA-N 418.501 2.646 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@@H]3CCC[C@@H](C(=O)O)C3)nn2)s1 1875324548 CPSDARGIJGKJCP-GDBMZVCRSA-N 405.524 2.920 0 50 HFAA COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 1171954 OFTVCKOSSGNSBA-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1CCc1ccccc1 11819604 XAVWCIAFIMDHEN-LJQANCHMSA-N 405.564 2.655 0 50 HFAA COCCn1c(CN2CCCC[C@H]2c2nccs2)cnc1S(=O)(=O)CC1CC1 12445998 UQIXOBAISFVVHU-KRWDZBQOSA-N 424.592 2.897 0 50 HFAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(CC)CCO 14962469 LHKGSHHKJIPZEG-UHFFFAOYSA-N 400.504 2.987 0 50 HFAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 14977074 BWKFVILKQATGTL-FQEVSTJZSA-N 415.484 2.876 0 50 HFAA CC(C)Oc1cccc2c1c(NC(=O)[C@H]1CN(C)C(=O)N1)nn2Cc1ccccc1 72419776 UVDHMAYWOLDGIO-MRXNPFEDSA-N 407.474 2.834 0 50 HFAA CCOc1ccccc1NC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 72442158 KJAJJQLNKFESMS-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2Cl)CCN1 95585814 HXWARSZQGAFXJM-MGPUTAFESA-N 418.904 2.998 0 50 HFAA in-vitro Cc1cccc(C(=O)N2CCC[C@H](c3noc(-c4cc5c(=O)[nH]c(C)cn5n4)n3)C2)c1 169768897 PNMMYZKTJQYANU-INIZCTEOSA-N 418.457 2.709 0 50 HFAA COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cncc3ccccc23)CC1 170606659 JLOLCVZIRWSUGY-UHFFFAOYSA-N 411.483 2.532 0 50 HFAA C[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 223229875 HEHJEGCOFXYSTK-CMJOXMDJSA-N 404.470 2.847 0 50 HFAA CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3ccco3)nc2O)C1 253536148 FUIDZNUARWBWSK-WOSRLPQWSA-N 402.447 2.506 0 50 HFAA COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccc(OC)c(OC)c2)CNC3=O)cc1 263618682 UYSIXGTZVFPCIV-OAQYLSRUSA-N 408.458 2.608 0 50 HFAA O=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1S(=O)(=O)C(F)F 794593103 RNJDPXWYYVLDGW-UHFFFAOYSA-N 413.427 2.874 0 50 HFAA CCOc1cc(CNC[C@@H]2CCCN(CCOC)C2)ccc1OCCn1ccnc1 952989598 NSBOHIUPFBCBLV-NRFANRHFSA-N 416.566 2.809 0 50 HFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCCCN1Cc1cccnc1 1319685572 XCVDCDBNOJNFKM-FGZHOGPDSA-N 406.530 2.744 0 50 HFAA COc1cccc([C@@H]2CCN(S(=O)(=O)c3cc(C(=O)O)ccc3C)C2)c1OC 1506418062 NTIRTRJPTPUSAQ-OAHLLOKOSA-N 405.472 2.889 0 50 HFAA Cc1cc(C)n(Cc2ccc(N3CC[C@H](O)[C@@](Cc4ccccc4)(C(=O)O)C3)nc2)n1 1772702724 AGUYANUQHRKCBL-URXFXBBRSA-N 420.513 2.828 0 50 HFAA CCn1nc(CC(=O)NC)nc1[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857675372 VKIMUEYJYQTZQZ-LBPRGKRZSA-N 402.886 2.765 0 50 HFAA Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(=O)CCC(C)C)nc2)cc1 1875326281 FDLWGBVHTGFXKF-UHFFFAOYSA-N 403.504 2.561 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 1875371958 RMCIQCZZFMKGPQ-RDJZCZTQSA-N 407.308 2.774 0 50 HFAA C=CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 1875383230 LXVVPAMARTZDIW-INIZCTEOSA-N 417.893 2.889 0 50 HFAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1C 1940197112 SIEJNEMELIGKRZ-UHFFFAOYSA-N 424.545 2.816 0 50 HFAA C[C@H]1[C@H](C)c2ccccc2N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325898983 HNDZFWRWSVYSMJ-YRVVQQKDSA-N 417.465 2.600 0 50 HFAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c(=O)n1 2356155898 NEIQBNOBDRTZIG-UHFFFAOYSA-N 420.513 2.822 0 50 HFAA COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cnn(C)c2)cc1 656518 HIEMRZRKFZGFLB-KPKJPENVSA-N 412.471 2.881 0 50 HFAA O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 900261 VFWJQQZEUARJDI-UHFFFAOYSA-N 417.550 2.797 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC 980842 OPENUFAYDASCCW-UHFFFAOYSA-N 404.488 2.743 0 50 HFAA O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCc2ccccc21 991284 GSIUDYCPJQPVOE-UHFFFAOYSA-N 420.918 2.954 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 1209462 FZBKEJPAHWHTTE-MRXNPFEDSA-N 405.285 2.843 0 50 HFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)CC(=O)O)CC2)cc1 6731115 ZMKUGLOVVUPMOZ-HZPDHXFCSA-N 410.536 2.534 0 50 HFAA C/C=C(\C)C(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)c2ccsc2)C1 12029607 LPTZUZJFGRJQHW-YIXHJXPBSA-N 405.545 2.781 0 50 HFAA CN(CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 12092367 CVDFPDBWJMDWRC-NRFANRHFSA-N 408.608 2.724 0 50 HFAA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 12138820 ODLQKJFPJAMGFM-UHFFFAOYSA-N 417.918 2.868 0 50 HFAA O=C(Nc1ccc2c(c1)CN(S(=O)(=O)Cc1ccccc1)CC2)[C@H]1CCCO1 14966665 QMSFGIWIMUKVOE-HXUWFJFHSA-N 400.500 2.692 0 50 HFAA O=C(c1cccnc1)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777578 MBXOETGAZRJUSF-QGZVFWFLSA-N 401.430 2.867 0 50 HFAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(F)cc1 239331306 KLRHIQVZIOFVSA-WGGGBPLMSA-N 408.351 2.732 0 50 HFAA CC(C)(C)OC(=O)[C@H]1C[C@@H](CNC(=O)c2ccc(-c3ccco3)nc2O)[C@H](O)C1 253536145 FUIDZNUARWBWSK-HEHGZKQESA-N 402.447 2.506 0 50 HFAA Cc1ccc([C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H](C)S(C)(=O)=O)cc1 436349280 CDKVQIZWALLTLF-OCCSQVGLSA-N 410.565 2.862 0 50 HFAA Cc1c(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)nnn1CC1CCCC1 469000886 MYDVZFXLJOKHML-HXUWFJFHSA-N 415.513 2.719 0 50 HFAA CC1(C)CN([C@H](CNC(=O)c2cnn3ccncc23)c2ccc(Cl)cc2)CCO1 496110895 KJJAGSIWINDTEW-GOSISDBHSA-N 413.909 2.965 0 50 HFAA CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)[C@@H](c2ccccc2)C1 775999343 ASGLQZJMGBURED-GOSISDBHSA-N 400.433 2.752 0 50 HFAA Cc1cc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)c2ccc(C(F)(F)F)cc2n1 1704341696 ZPPDUAZKNNZYGM-CYBMUJFWSA-N 403.426 2.634 0 50 HFAA CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc(C(F)F)c2)c1 1875264978 ULTZPRIDXDSJIL-UHFFFAOYSA-N 411.430 2.842 0 50 HFAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cc3ccccc3o1)C[C@@H]2O 2100484011 ZAPKZMPPXACNSP-RVFVQDDPSA-N 406.526 2.933 0 50 HFAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)c3ccccn3)CC2)c1 2325820319 OBAYOHBYBMBWET-QFIPXVFZSA-N 417.513 2.850 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nccs2)cc1 1195919 YEAQZDJNTQXXJA-QGZVFWFLSA-N 401.513 2.980 0 50 HFAA Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2cc(C)ccc2C)cc1 2178080 WHLKLDZLPQJBJK-UHFFFAOYSA-N 403.533 2.658 0 50 HFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3nc4ncccn4n3)C2)c2cccc(=O)n21 2356145414 AXSFWCKYBFTOLL-RYRKJORJSA-N 406.490 2.523 0 50 HFAA O=C1NCCN(CC(c2ccccc2)c2ccccc2)[C@H]1CC(=O)N1CCCCO1 55195726 LYTWEPWZUXIZLT-QFIPXVFZSA-N 407.514 2.563 0 50 HFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC(C(=O)OCC)CC1 55134419 NZMJALVEGIONCI-UHFFFAOYSA-N 400.523 2.982 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CCN(C(=O)c1ccn(C)n1)C2 12158905 URXBKDRIPULDOV-CMDGGOBGSA-N 415.497 2.652 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)cc2)C1 426193481 IPABTMMDVOCIPX-PGPOEAPYSA-N 413.949 2.727 0 50 HFAA COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C(F)(F)F 252667761 DLLADMPAVGUCGB-YGRLFVJLSA-N 407.820 2.724 0 50 HFAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 474826150 SMFIBJGHNVGSQQ-LJQANCHMSA-N 419.541 2.799 0 50 HFAA Cc1ccc(C2(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)CCOCC2)cc1 478741067 UCXMLYCLXSHBSV-MRXNPFEDSA-N 402.516 2.568 0 50 HFAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)C[C@H]1NC(=O)c3ccccc31)CC2 14741136 OJKJGXUVHVXWDL-OAQYLSRUSA-N 413.477 2.812 0 50 HFAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2Br)[C@H]2C=C[C@H]1O2 239174446 QAUKZHUUEBUHIB-DDHJBXDOSA-N 417.053 2.804 0 50 HFAA CC[C@@H]1CN(CCNC(=O)CCc2c(C)n[nH]c2C)Cc2cc(OC)ccc2O1 299787967 UJQNPSJNWHCZON-GOSISDBHSA-N 400.523 2.757 0 50 HFAA Cc1ccc(C(=O)NCCN(CCN2CCOCC2)C(=O)c2ccc(C)s2)s1 170596549 SYEABZCJFARTCY-UHFFFAOYSA-N 421.588 2.631 0 50 HFAA Cc1nc[nH]c1CN1C[C@H]2CN(S(=O)(=O)C3CC3)C[C@@]2(CCc2ccccc2)C1 1772815796 XIZLVOPFLLESKY-SIKLNZKXSA-N 414.575 2.577 0 50 HFAA O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772807298 LZMCGMDWGCKENS-AVRDEDQJSA-N 412.511 2.548 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)cnn1-c1ccccn1 1772707688 TXAHTSJOSDJTEM-RDPSFJRHSA-N 401.514 2.870 0 50 HFAA COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccco3)c(C)o2)cc1OC 5058260 GORJDXMSMOJVJE-GDLZYMKVSA-N 418.471 2.825 0 50 HFAA aggregator CSCCNC(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 11817903 WODVSWLGHXCKRP-UHFFFAOYSA-N 402.564 2.988 0 50 HFAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 14977077 BWKFVILKQATGTL-HXUWFJFHSA-N 415.484 2.876 0 50 HFAA O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12326150 XTDHZUSQATWFLX-QGZVFWFLSA-N 415.925 2.649 0 50 HFAA NC1(CCNC(=O)N2CC[C@@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)CC1 952894891 UQRKYWRIMGIXOM-GOSISDBHSA-N 409.412 2.833 0 50 HFAA Cc1cc(C(=O)N2CCOCC2)ccc1N(C)C(=O)c1cccc(-c2nnco2)c1 1875259630 VDSJNAAXVBQYDK-UHFFFAOYSA-N 406.442 2.794 0 50 HFAA O=C1NC(=O)[C@]2(CCCCC[C@H]2NC(=O)c2ccc(OC3CCC3)cc2Cl)N1 1875328797 NDEWYTDPJPWMKT-OXQOHEQNSA-N 405.882 2.912 0 50 HFAA COc1ccccc1C1=CC(=C(O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)N=N1 2083580023 DTTVGTSYXYTZSS-CYBMUJFWSA-N 415.475 2.628 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4ccncc4)CC3)C2=O)cc1 19890233 CSRSRGXHZNRMCC-FQEVSTJZSA-N 407.470 2.770 0 50 HFAA COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 2869165 MCQKOBLUDBFIIY-UHFFFAOYSA-N 424.482 2.641 0 50 HFAA COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4764012 UKSHMMNPSXEPKW-UXHICEINSA-N 410.470 2.688 0 50 HFAA COc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 5736376 VNWHUNFUZMUCBA-UHFFFAOYSA-N 423.542 2.932 0 50 HFAA O=C(NCCOc1ccccc1F)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11663037 AOUGCPGQLFNKCH-KRWDZBQOSA-N 402.441 2.941 0 50 HFAA CCCN1CCC([C@]2(CC)NC(=O)N(C[C@@H]3COc4ccccc4O3)C2=O)CC1 12154499 XFBHYEJUJQQMSX-VGSWGCGISA-N 401.507 2.649 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@@H](C)N1CCCC1=O 12748310 MIDMFLBHZCIDGH-GOSISDBHSA-N 419.541 2.524 0 50 HFAA CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 21726429 KTENGJDOEBVUFW-MRXNPFEDSA-N 403.446 2.800 0 50 HFAA COc1ccc(NC(=O)NCCN2CCN(c3ccccc3F)CC2)c(OC)c1 55532994 VJKLSCVAAPHNSR-UHFFFAOYSA-N 402.470 2.787 0 50 HFAA Cc1nc(CN2CCN(S(=O)(=O)CCC3Cc4ccccc4C3)CC2)cs1 225658914 WOILPOGWTCGZCH-UHFFFAOYSA-N 405.589 2.704 0 50 HFAA O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1nc(-c2ccccc2)no1 263617111 MCVXFLBFQSNJIS-UHFFFAOYSA-N 417.400 2.893 0 50 HFAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 328607950 XRFDNTOAXCHUHP-OWCLPIDISA-N 410.474 2.584 0 50 HFAA CN(C)Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(C(N)=O)cs2)cc1 952871864 DCQWGCLHXMNSSD-KRWDZBQOSA-N 407.561 2.825 0 50 HFAA O=C1CCC(=O)N(c2ccc(C(=O)Nc3ccccc3[C@H](O)c3ccccn3)cc2)N1 1467756457 XSCYXRHELVIFSF-QFIPXVFZSA-N 416.437 2.574 0 50 HFAA O=C(c1ncc[nH]c1=O)N1CCC2(CC1)OCCc1cc(OCC3CCC3)ccc12 1857677687 MNHHNTNFWYPGCU-UHFFFAOYSA-N 409.486 2.653 0 50 HFAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCCc4csc(=N)[nH]4)CC3=O)sc2c1 1857720343 PRMSACISPJTEIO-LBPRGKRZSA-N 415.544 2.576 0 50 HFAA COc1ncc(Cl)cc1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1 1875350696 XLCWZINYWNKTMS-UHFFFAOYSA-N 419.684 2.554 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cnc4cnn(C)c4c2)C3)cc1 2100478305 ZXLGFWKQXZUOHA-UHFFFAOYSA-N 400.442 2.514 0 50 HFAA CCn1c(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)nc2ccccc21 2100556356 KDMFGSPZHCASDQ-UXHICEINSA-N 412.877 2.582 0 50 HFAA C=CC(=O)N1CCC(C(=O)NCc2cc3c(cc2Br)OC(C)(C)O3)CC1 2325889583 XQLYVROIMRJTIX-UHFFFAOYSA-N 423.307 2.997 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C1)CC2 2356157412 JVBZUNNWUZAAJF-QHCPKHFHSA-N 402.502 2.849 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@H]1COc2ccccc2O1 958049 ONFHUSCVCWLZEJ-GOSISDBHSA-N 411.439 2.661 0 50 HFAA CCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1 11840179 QDOFDDIEFBZJJE-GOSISDBHSA-N 415.465 2.960 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 13427367 BLUSYAKAHOJHAT-IOASZLSFSA-N 414.361 2.581 0 50 HFAA COc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1C 19227462 AGAAGNAKTOPIEP-UHFFFAOYSA-N 423.517 2.793 0 50 HFAA O=C(Cc1ccccc1)N[C@@H](O)C(Br)(Br)Br 71769934 MUZRLAFTECXJSG-VIFPVBQESA-N 415.907 2.502 0 50 HFAA CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCC[C@H]1O 72437375 FDQNMRHLFKQKNC-IXDOHACOSA-N 414.593 2.691 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 82115718 OYVWHUBJVAUHLS-FQEVSTJZSA-N 408.546 2.780 0 50 HFAA O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1cccs1 101274794 ALEQVUTZIWCFDJ-INIZCTEOSA-N 412.540 2.808 0 50 HFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169777979 NVNJKRBXQMFHDM-LBPRGKRZSA-N 422.367 2.876 0 50 HFAA COc1ccccc1C1CCN(C(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)CC1 219026024 OMDUMRXMJFEVLD-QFIPXVFZSA-N 402.491 2.695 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@H]([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1 225566662 OAAZPEJPUFQNAN-AZUAARDMSA-N 418.538 2.745 0 50 HFAA COc1ccc([C@H](CC(=O)NC(C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC 253412868 SIEYBPSSPKBDFI-AWEZNQCLSA-N 405.447 2.726 0 50 HFAA biogenic O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1noc(-c2ccccc2)n1 263615744 DZUPKJSWCRDMIR-UHFFFAOYSA-N 417.400 2.893 0 50 HFAA C[C@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c2ccsc2S1(=O)=O 462608705 ALVGWYDIQYEMID-BJJXKVORSA-N 407.517 2.613 0 50 HFAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCc2ccc(Cl)cc2)cc1 497915241 RWVGWKWNSWVUTJ-UHFFFAOYSA-N 408.907 2.522 0 50 HFAA COCC(=O)Nc1cc(NC(=O)c2ccc(N3CCOCC3)c(C)c2)ccc1OC 952981474 WWMGCECRSJPRJR-UHFFFAOYSA-N 413.474 2.677 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)COc2cccc(C)c2C)cc1OC 1529196279 XQNJUULEDHJHHF-FYYLOGMGSA-N 415.486 2.660 0 50 HFAA Cc1ccc(F)c(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1 1857712624 FCAOMFZONFBFOU-SFTDATJTSA-N 400.498 2.936 0 50 HFAA CN1C(=O)COc2ccc(C(=O)N3CCc4nn(C)c(-c5ccccc5)c4CC3)cc21 1857741339 OAFWRWKGLYTQIN-UHFFFAOYSA-N 416.481 2.683 0 50 HFAA Cc1cnc(C2(NC(=O)Nc3cnn(CCNC(=O)OC(C)(C)C)c3)CCC2)[nH]1 2325854034 LNILRLPJMBLDEF-UHFFFAOYSA-N 403.487 2.640 0 50 HFAA O=C1CC[C@H](N2Cc3c(NC(=O)c4csc5ccccc45)cccc3C2=O)C(=O)N1 2325895749 IOYHWFFZFRETOK-KRWDZBQOSA-N 419.462 2.915 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 2356166547 CENKRCLNXQQKAZ-OAQYLSRUSA-N 406.482 2.960 0 50 HFAA O=C(c1ccc2c[nH]nc2n1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356167699 YQUYFHGBEHHOQF-QHCPKHFHSA-N 403.486 2.798 0 50 HFAA CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)CC1 2441950 FQLXYZWGTWAANX-QGZVFWFLSA-N 424.501 2.985 0 50 HFAA COc1cc(OC)c(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 2859122 FORYWGUQCPLUSY-UHFFFAOYSA-N 401.897 2.814 0 50 HFAA CC(=O)N1CCC(C(=O)Nc2sc(C)c(C)c2C(=O)NCc2cccnc2)CC1 6715325 CAQXIQGWRSEYCL-UHFFFAOYSA-N 414.531 2.887 0 50 HFAA O=C1NCCN1c1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)cc1 12307673 GEMJIAKVBXMBNI-PTLVVNQVSA-N 417.513 2.549 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCCc1ccncc1)C2 14530757 LLKFUMLWPJQDQJ-GOSISDBHSA-N 407.493 2.574 0 50 HFAA Cc1cc(C)cc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c1 14539348 SBNRPZJKXCXUBS-UHFFFAOYSA-N 418.541 2.981 0 50 HFAA COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1 14887262 SIUINDDBPKQYEM-UXHICEINSA-N 418.534 2.513 0 50 HFAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCc2cn[nH]c2)CC1 14966788 YKEHOCNXAQOFLX-UHFFFAOYSA-N 420.517 2.974 0 50 HFAA C[C@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1nccs1 14981558 KSMIBZBPDNSHIQ-INIZCTEOSA-N 400.548 2.935 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1C 20363694 MLIDYSFHDCCXGU-NRFANRHFSA-N 412.530 2.844 0 50 HFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 71751980 JWOOQOYSOCVGAL-SFHVURJKSA-N 421.545 2.672 0 50 HFAA Cc1cccn2c(CN3CCC(O)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 71758872 WDDUXTAKENQKLY-UHFFFAOYSA-N 406.530 2.914 0 50 HFAA Cc1cccc(C)c1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169752509 MMFPTUGTSCQXHQ-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA COC(=O)c1cn(CCSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)nn1 170601446 LRGUYGULEXEXAG-UHFFFAOYSA-N 421.910 2.876 0 50 HFAA COc1ccc(CCC(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)c(OC)c1OC 170601777 FTUIHNDKIDVQIV-QGZVFWFLSA-N 410.474 2.863 0 50 HFAA O=C(CC1CCC2(CC1)OCCO2)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 170607597 FOHITZASTPFZBA-HXUWFJFHSA-N 400.519 2.517 0 50 HFAA C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 221892015 SQZAUBZSEFMMCS-MPGHIAIKSA-N 409.502 2.617 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN21 245242138 BUPCYOAOQQHOCU-KCOOYEKVSA-N 401.466 2.680 0 50 HFAA CCCCCCOc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@H]2[C@H](O)CO)cc1 248265313 NZMUYKFTJGDSLM-TXVWBRJLSA-N 410.507 2.761 0 50 HFAA biogenic O=C(NCc1ccc2c(c1)CN(C(=O)c1cccc(CO)c1)C2)c1cccc(CO)c1 487083382 KPOGLKLBLADCIN-UHFFFAOYSA-N 416.477 2.757 0 50 HFAA CC(C)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)n1 821483326 FPYXFADQCHZBFP-CYBMUJFWSA-N 405.480 2.820 0 50 HFAA COc1ccc(OC)c2c1cc(C(=O)N1C[C@@H]3C[C@@H](C1)[C@@H]1CCCC(=O)N1C3)n2C 888088511 DDBJRJUMATXBJW-ZOBUZTSGSA-N 411.502 2.669 0 50 HFAA Cc1ccc(S(=O)(=O)N2CC(N[C@@H](C)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)C2)cc1 952869600 WNPUNMIYLPBMPE-LHZADGPGSA-N 404.576 2.677 0 50 HFAA COc1cc(CN2CCN(c3ncccc3Cl)CC2)ccc1O[C@H](C)C(=O)O 1506424318 ZVVQJVUVUASULF-CQSZACIVSA-N 405.882 2.918 0 50 HFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704344982 SCCKMAVGPWBNGR-UTKZUKDTSA-N 406.486 2.654 0 50 HFAA CCc1nccn1CCc1nc(Cc2ccc(OC)c(OC)c2)nn1[C@H]1CCOC1 1772818742 XRFHUMPUGPRHQH-KRWDZBQOSA-N 411.506 2.849 0 50 HFAA CSc1ccc(-n2cc(CCC(=O)N3CC4(CCC4)C[C@@H]3C(=O)O)nn2)cc1 1875354256 SGFBGKCGKPFCNL-QGZVFWFLSA-N 400.504 2.778 0 50 HFAA C=CC(=O)Nc1ccc(O)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1875372064 VHIIWYMIUAZIJS-UHFFFAOYSA-N 401.463 2.646 0 50 HFAA CCCOc1cccc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)c1 2100543722 XQDZLSJJRSOJLT-YADHBBJMSA-N 409.486 2.618 0 50 HFAA CO[C@@H]1CC[C@H](C)N(c2nnc(-c3cc(F)ccc3C)n2CCC(=O)N(C)C)C1 2325840009 LQAPZCKKZNDGFG-DOTOQJQBSA-N 403.502 2.875 0 50 HFAA Cc1cccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C(=O)O)c1 2325851920 MTPKZCLQAOMQIT-XLIONFOSSA-N 420.469 2.666 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3c(Br)ccc(OC)c3C2)C1 2325889613 ZCLGCPPAUCUIDJ-ZDUSSCGKSA-N 407.308 2.767 0 50 HFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(I)cc1 629264 KHFKRTIOLUPKRD-ZDUSSCGKSA-N 400.216 2.824 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 789501 BNTMVYHIVDPQDB-UHFFFAOYSA-N 402.472 2.763 0 50 HFAA Cc1cccc(NC(=O)c2cc(NC(=O)CCC(=O)O)ccc2N2CCOCC2)c1 2861926 XNSXEEZLCHFVIS-UHFFFAOYSA-N 411.458 2.887 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C3CSCCSC3)C2)cc1 11933341 UVJJLVIJBHRBDB-OAHLLOKOSA-N 416.634 2.534 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2=O)c1 11935927 XQQWZQMCIBHGAR-NRFANRHFSA-N 400.454 2.521 0 50 HFAA CC[C@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 12210748 GBFTYYBQUVQCRQ-KSSFIOAISA-N 415.511 2.792 0 50 HFAA CC(C)COc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 14034916 IHEQXXMMWYHCSG-IBGZPJMESA-N 416.518 2.928 0 50 HFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(CC(C)(C)C)CC2 14744321 VFLIMNNPXJWJFP-UHFFFAOYSA-N 416.566 2.806 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)CC(C)C)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 14882086 MLHPDKQYQHCTOA-CVDCTZTESA-N 420.598 2.846 0 50 HFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 16265565 KDOOIIJQDDHACY-KGLIPLIRSA-N 423.903 2.966 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1OC 19787547 QBAIIGMSEXQZOX-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCC(CC)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82138564 LCMSMMVZIJYGGT-LJQANCHMSA-N 400.567 2.837 0 50 HFAA O=C(CCc1ccc(O)cc1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91643609 VPZUKGAQTGILGI-FQEVSTJZSA-N 400.519 2.735 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)N1 95501863 XTDBDBFQPIDHCB-FQEVSTJZSA-N 403.482 2.520 0 50 HFAA Cc1ccc(NC(=O)CCNC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc1 170616920 RJVCKRRUTTWNDJ-INIZCTEOSA-N 419.526 2.760 0 50 HFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1ccc(C(=O)O)o1 426563232 WLQHLNPGUHQDKC-UHFFFAOYSA-N 403.394 2.671 0 50 HFAA Cc1cc(-c2noc(CCC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)n2)ccc1F 468487090 HCDNWNFKLLXFEH-OAHLLOKOSA-N 403.454 2.913 0 50 HFAA O=[S@](Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 730942572 DVRQXNIEQWWHLQ-GDLZYMKVSA-N 422.413 2.733 0 50 HFAA CCCNC(=O)c1ccc2c(c1)nc(N1CC[C@H](CO)[C@H](O)C1)n2C1CCCCC1 1529180507 JUJTWCPNAVAPFX-DYESRHJHSA-N 414.550 2.861 0 50 HFAA O=C1CCOC2(CCN(C(=O)C3CCOCC3)CC2)CN1CCC1CCCCC1 1704316085 JUAOXXMTVLSTNT-UHFFFAOYSA-N 406.567 2.994 0 50 HFAA COc1ccc(Oc2ccc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc2)cc1 1857686573 CIFKJKQMEVKOCU-NFBKMPQASA-N 410.470 2.591 0 50 HFAA O=C(NCc1ncc[nH]1)c1cc2c(s1)C1(CCN(C(=O)C3CCC3)CC1)OCC2 1857689827 MAMIBBHWZJTJNF-UHFFFAOYSA-N 414.531 2.592 0 50 HFAA O=C(Cc1cccc(O)c1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857695510 MJVQAVIJARVAGA-XMMPIXPASA-N 416.481 2.999 0 50 HFAA COCCOCCn1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1 2325822760 NIDOHQXCXUFZRM-UHFFFAOYSA-N 407.898 2.883 0 50 HFAA Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1 1217951 BLWAXBDBQWGJKK-UHFFFAOYSA-N 418.500 2.528 0 50 HFAA CC1(C)NC(=O)N(C[C@@H](O)COc2ccc3ccccc3c2Br)C1=O 4801794 OKAWDOZJPGCTPH-GFCCVEGCSA-N 407.264 2.672 0 50 HFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(C)on2)CC1)c1ccccc1 11933702 SSZFSLFZRSFVLD-HXUWFJFHSA-N 423.473 2.983 0 50 HFAA CN(CCc1cnn(C)c1)Cc1cccc(OC[C@H](O)CN2CCCCCC2)c1 11953184 NGQIJHWIRWYXII-JOCHJYFZSA-N 400.567 2.710 0 50 HFAA CN(C)c1cccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1 12100024 ITVLQHAFMHNSAC-NRFANRHFSA-N 422.529 2.731 0 50 HFAA COC(=O)[C@@H](CCSC)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12112078 YWINQNATNQCNBU-GOSISDBHSA-N 424.526 2.940 0 50 HFAA COc1ccc(CNCc2cnc3ccccn23)cc1OC[C@H](O)CN(C)C(C)C 12306522 PFIMEGPAMFHIOZ-HXUWFJFHSA-N 412.534 2.713 0 50 HFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C[C@@H]3C[C@@H](C)NC(=S)N3)CC2)c1 12715307 BHWFNJFZDUFXMZ-APWZRJJASA-N 416.591 2.967 0 50 HFAA CCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15063576 UDMVCGBWBBPRIP-UHFFFAOYSA-N 410.518 2.955 0 50 HFAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 33011429 LQUDQZMDEJYOBM-OAHLLOKOSA-N 403.446 2.880 0 50 HFAA CC(C)C(=O)N[C@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1 225637126 IIQJJNATYXUZOF-FQEVSTJZSA-N 418.582 2.518 0 50 HFAA CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3cc(Br)ccc3N21 245256781 SQIIDXZKTKKGEG-XQLPTFJDSA-N 403.276 2.537 0 50 HFAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 255992841 OQARDMYXSOFTLN-UTVSOWQQSA-N 406.519 2.920 0 50 HFAA Cc1c(C)[n+]([O-])c([C@@H](c2ccco2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587026 BEZNPJVOGHXZRJ-SFHVURJKSA-N 424.453 2.964 0 50 HFAA COc1ccc([C@@]2(C)NC(=O)N(CCCS(=O)(=O)c3cccc(C)c3)C2=O)cc1 463408539 FYZBXRIGDLEVKM-OAQYLSRUSA-N 416.499 2.635 0 50 HFAA CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)NCc2cn3ccc(C)cc3n2)C1=O 670471891 YUXOILDFEWKTKF-GOSISDBHSA-N 422.510 2.812 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H](C(C)C)n1cnc2ccccc2c1=O 952869859 NPOVTAUDFANTDC-FQEVSTJZSA-N 418.457 2.822 0 50 HFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C[C@@H]21 1704316301 LYFDRAQLZAODFU-SLYNCCJLSA-N 406.548 2.547 0 50 HFAA COc1cccc(CN2CCN(C)C3(CCOCC3)C2)c1OCCCn1ccnc1 1775981311 JONOFPOEBXAYJP-UHFFFAOYSA-N 414.550 2.657 0 50 HFAA CCn1nc(CC(=O)NC)nc1[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857675371 VKIMUEYJYQTZQZ-GFCCVEGCSA-N 402.886 2.765 0 50 HFAA Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2nn(C)c3ccccc23)sc1C 1857694332 LOEGEYBOBBLNSW-IRXDYDNUSA-N 409.515 2.662 0 50 HFAA COC(=O)/C=C/c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1875312950 LCFPJJNJWQRKSR-AWNIVKPZSA-N 414.483 2.910 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1cccnc1 889677 JUTTZRSWEGZVDS-UHFFFAOYSA-N 405.495 2.861 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)NCc1ccco1 1060939 PEUMMEBTRRFERT-UHFFFAOYSA-N 408.867 2.555 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCCCCC3)c2)CC1 12072743 LVSNFCXFEYYSAH-OAQYLSRUSA-N 404.551 2.687 0 50 HFAA CC1=C(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)OCCO1 12471226 YMKHNAIDRPEKBL-OAHLLOKOSA-N 408.445 2.878 0 50 HFAA CSc1nc(C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)cs1 12592840 IOGMBYZTRNKXQB-UHFFFAOYSA-N 410.609 2.706 0 50 HFAA O=C(c1cnsn1)N1CCC(Oc2cccc(CN3CCSCC3)c2)CC1 14886870 LAXDMUOUIAZKPI-UHFFFAOYSA-N 404.561 2.771 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(SC)c1 15019296 HDEOBYZEMMZWIT-UHFFFAOYSA-N 407.565 2.583 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cccc(Cl)c2)cc1 19800160 OJJHGESTIUKQOJ-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(CN2CCOCC2)cc1 20567864 AOCCTVHGXBWVGW-FQEVSTJZSA-N 423.513 2.680 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 136207172 MTFVELSRMDRANT-ZNOWBECESA-N 415.081 2.675 0 50 HFAA Cc1noc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169777704 LKMGRKGWHKAWRE-CQSZACIVSA-N 417.267 2.876 0 50 HFAA COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(NC(C)=O)cc3)C2=O)cc1 170623902 QATOXTKHMGEHFL-UHFFFAOYSA-N 413.817 2.867 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 206245982 JOXJLIYGSKSYEV-LJQANCHMSA-N 411.458 2.586 0 50 HFAA O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O)N1CCOCC1 214976326 JGOOGJIKUUCMIQ-UHFFFAOYSA-N 421.297 2.947 0 50 HFAA O=C(O)CC[C@]1(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCC(=O)N1 218675688 YDANIAWCDOOBOU-JOCHJYFZSA-N 404.482 2.901 0 50 HFAA CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 222025273 OPHUYPKIJZFESE-LRDDRELGSA-N 421.410 2.814 0 50 HFAA COC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1 252517654 OBMSOHARYWIODS-VYJAJWGXSA-N 414.502 2.739 0 50 HFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263616500 JAYSTMYGHHZUOA-QFIPXVFZSA-N 424.549 2.756 0 50 HFAA CN(C)c1ccc(Br)c(S(=O)(=O)Nc2n[nH]cc2Br)c1 328594151 VKNVQQJJVOQWRA-UHFFFAOYSA-N 424.118 2.802 0 50 HFAA CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 328595934 KXSCCHTWADFROD-SNVBAGLBSA-N 405.297 2.634 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(CCc4ccccc4O3)C2)c(F)c1 809862753 JOIUUTRIGWARIB-HXUWFJFHSA-N 404.463 2.943 0 50 HFAA N[C@]1(C(=O)Nc2c[nH]nc2Br)CCc2c1ccc(F)c2Br 952879113 GSUMMQJPMKCTQV-CYBMUJFWSA-N 418.064 2.813 0 50 HFAA CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 1251241524 DLUFHKPXEZJBPX-MRXNPFEDSA-N 410.518 2.892 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)CC2)c1 1506400150 ILDUUAWRNADBJX-QHCPKHFHSA-N 408.546 2.720 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3cccc(-c4ccc(C)o4)c3)C[C@@]2(CO)C1 1772805713 REYJYYWYOQHMPA-UGKGYDQZSA-N 400.544 2.871 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(c4ccncc4F)C[C@]3(CCC(=O)O)C2)c(C)o1 1772809992 BSWNHULFBKGGBY-QVKFZJNVSA-N 401.438 2.874 0 50 HFAA O=C(c1cc(-c2ccc3c(c2)OCCO3)[nH]n1)N1Cc2ccccc2C[C@@H]1CCO 2325829418 JMEJZJHOTDAYBI-SFHVURJKSA-N 405.454 2.797 0 50 HFAA CCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 1149629 HZRXPBQTPLIQQC-UHFFFAOYSA-N 420.487 2.585 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c(Cl)c1 3017268 ADANUTFTUTWCNP-UHFFFAOYSA-N 414.842 2.655 0 50 HFAA CCOc1ccc(-c2nc3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 6355374 QDFDEZZXUMKARJ-SFQUDFHCSA-N 407.451 2.551 0 50 HFAA COc1ccc([C@]2(CC(=O)NCCSC)CC(=O)N(C3CCCC3)C2=O)cc1 12333293 QYUIULCHVPWHPU-NRFANRHFSA-N 404.532 2.504 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@](CO)(CCCc2ccccc2)C1 12386014 DDJYSRREDSQXFM-RUZDIDTESA-N 420.509 2.907 0 50 HFAA CCN(CC)C(=O)c1cn(C2CCN(Cc3ccc(OC)c(OC)c3)CC2)nn1 14981808 FFTPQOVSGPXSFX-UHFFFAOYSA-N 401.511 2.614 0 50 HFAA C[C@H]1CN(C2(C(=O)NCc3cn4ccccc4n3)Cc3ccccc3C2)C[C@@H](C)O1 19731089 PKAXEBXAOYHYGG-HDICACEKSA-N 404.514 2.597 0 50 HFAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NCc1ccccc1 19799568 MAWRXGURQHKHLY-UHFFFAOYSA-N 423.542 2.508 0 50 HFAA O=C1N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2C12OCC=CCO2 19874036 UXMHKZMBZBHPNW-UHFFFAOYSA-N 409.461 2.708 0 50 HFAA CN1CCN(CCC(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 20201702 QJJIOAMLTLQHFU-XMMPIXPASA-N 404.643 2.909 0 50 HFAA CCCn1nc(C)c(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c1C 20614231 SRILLXZCSYDWMC-UHFFFAOYSA-N 418.361 2.710 0 50 HFAA Cc1ccc(C(=O)N2CCC3(CC2)CN(CCCN(C)CC(C)C)C(=O)O3)cn1 72431708 QFILQROCWHRGPL-UHFFFAOYSA-N 402.539 2.795 0 50 HFAA CCC(=O)N1CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 170608676 OEWVYWDZPIXKFU-UHFFFAOYSA-N 410.356 2.730 0 50 HFAA NC(=O)N[C@H](CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cccc(Br)c1 230134854 DCOCYHUVZUXNCL-OAGGEKHMSA-N 410.312 2.719 0 50 HFAA O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cc(F)cc(F)c1 263617932 QMBXBJFDDXCBMS-UHFFFAOYSA-N 408.368 2.929 0 50 HFAA COc1nc2ccccc2nc1CCC(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 824852889 SBRHZYDAQZGKOA-HNNXBMFYSA-N 408.458 2.585 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1coc(-c2ccccc2)n1)c1cccc(F)c1 827825710 DRJJDONFEMVNHU-UHFFFAOYSA-N 403.435 2.563 0 50 HFAA O=C1N[C@@H](c2cc3ccccc3nc2N2CCOCC2)N2Cc3ccccc3C[C@@H]12 877867321 ZMWUYPDITPRURG-JTHBVZDNSA-N 400.482 2.627 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)Cc2ccncc2)C1)c1ccccc1OC(F)F 952990495 UPCGMJVLLPMAGH-MRXNPFEDSA-N 403.429 2.894 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCC(=O)N3CCCCCC3)C1)CC2 1704299214 FEHDCALTLGFCND-QHCPKHFHSA-N 413.566 2.532 0 50 HFAA Cc1cccc(-c2ncc(CN3CCCN(C(=O)[C@@H](C)n4cccn4)CC3)cn2)c1 1775979857 NXKGPWFDLZICBJ-LJQANCHMSA-N 404.518 2.944 0 50 HFAA COCc1nc(-c2nc(-c3cnn(CCO)c3)nn2CCC2CCCCC2)co1 1875340709 ODNAWKILMKKEIU-UHFFFAOYSA-N 400.483 2.906 0 50 HFAA Cn1nccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356138431 BGKARLSOLMFNHO-IGGJEDBVSA-N 410.493 2.644 0 50 HFAA CC[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cc(C)on1 1080766 LXSULZYFVVWBSF-OAHLLOKOSA-N 413.503 2.874 0 50 HFAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC(C)=O)c(OC)c3)N2C1=O 2246267 KNWAKBGUWLXKFF-NVXWUHKLSA-N 418.471 2.832 0 50 HFAA Cc1cccc(NC(=O)CS(=O)(=O)CC(=O)c2ccc(Br)cc2)c1 2864504 FHIFGKSIXQKNRV-UHFFFAOYSA-N 410.289 2.994 0 50 HFAA COc1cccc(CN2CCC[C@@H](NC(=O)c3ccccc3N3CCOCC3)C2)c1 11668024 LIXFCVCZBYRJGK-HXUWFJFHSA-N 409.530 2.926 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCOC(C)C)c1 11951173 PPKDNBXTNOUHAN-UHFFFAOYSA-N 404.507 2.630 0 50 HFAA CC(C)(CO)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11999412 ARHMXARCTDRXRT-GOSISDBHSA-N 408.546 2.983 0 50 HFAA O=C1CCCN1CC1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 12074383 KSXNINPOXSPBAU-HXUWFJFHSA-N 403.567 2.666 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 12453068 YYXNKGRXCBHNMU-HXUWFJFHSA-N 405.520 2.603 0 50 HFAA NC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 20533982 QTEUJHJFVDUHHY-UHFFFAOYSA-N 402.498 2.695 0 50 HFAA COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3)ccc1=O)CC2 40309335 TUYIBXACNBELOL-UHFFFAOYSA-N 405.454 2.512 0 50 HFAA biogenic CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCC[C@H]1O 72437023 SENDCFQKZWPBNH-DLBZAZTESA-N 414.593 2.691 0 50 HFAA C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1cccc2ccccc12 72441414 NSMQWOMEEYHHBY-FXAWDEMLSA-N 417.575 2.653 0 50 HFAA CN1CCC(N2CCN(Cc3ccccc3OC3CCCC3)C[C@H]2CCO)CC1 104347960 RCJLLVXMVQAGBF-JOCHJYFZSA-N 401.595 2.971 0 50 HFAA O=C(CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCCCn1ccnc1 252492451 MMTDVUBJRBRXPH-GOSISDBHSA-N 405.458 2.652 0 50 HFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 253387482 WHBNDQWQXQPIKV-LEAZDLGRSA-N 422.506 2.853 0 50 HFAA CN1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 299783365 YMGZQQWQEAWHAU-KNQAVFIVSA-N 400.482 2.620 0 50 HFAA O=C(NCc1cn2ccsc2n1)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 913487366 OELILIMBORCWBI-UHFFFAOYSA-N 417.450 2.731 0 50 HFAA Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ncon1 1506401088 DNQFNAXDQWUNQN-UHFFFAOYSA-N 408.383 2.934 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCCN(C(=O)[C@H]2CC(C(C)C)=NO2)CC1 1775984574 ZLFZPGBSXHRNAQ-LJQANCHMSA-N 402.495 2.871 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1cc(O)ncn1 1857734497 KMHVPPWUCOJMFO-LBPRGKRZSA-N 401.854 2.900 0 50 HFAA O=C(c1cccc(-n2cnnc2)n1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1875243360 DDDDKOZWYOTRKA-UYAOXDASSA-N 419.485 2.550 0 50 HFAA O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@@H](c2nnc3ccccn23)C1 1875253915 ZUYMAGAOYTWVJH-OAHLLOKOSA-N 416.441 2.868 0 50 HFAA Cc1c(C(=O)N[C@@H](CN2CCCS2(=O)=O)C2CC2)cnc2c(Cl)cccc12 1875317423 YVSBYPQFASWYBX-KRWDZBQOSA-N 407.923 2.741 0 50 HFAA O=C(CN1CCC(OCCc2ccccc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 1875341129 HMOKZYWXSJYTKB-UHFFFAOYSA-N 406.490 2.529 0 50 HFAA CC1(C)Cc2ccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2B(O)O1 1875368593 CQTCHABPJQSDGZ-UHFFFAOYSA-N 402.263 2.640 0 50 HFAA C[C@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 4770443 VDNNOHFMVQUDRY-KKSFZXQISA-N 400.500 2.964 0 50 HFAA Cc1cnccc1CN(C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12307815 SDRYSGQIIPAVAS-UHFFFAOYSA-N 404.430 2.810 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccnn2C)O3)n1 12455568 PUXMALCPFXSEKE-ZDUSSCGKSA-N 415.906 2.986 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14536925 BJWRYUGKBLPAKJ-UHFFFAOYSA-N 421.545 2.515 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)n[nH]1 14542930 XKTZODXDEDUACR-FQEVSTJZSA-N 410.518 2.921 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc(O)c2)CC3)cc1 14748881 CEQYTAUOBDNBKI-UHFFFAOYSA-N 423.513 2.872 0 50 HFAA O=C(CCn1cnnn1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cc(F)ccc1F 20777498 NAQLJJFWIZMXAL-OAQYLSRUSA-N 408.412 2.997 0 50 HFAA O=C(c1cccc(Br)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530382 WQCSOKTWAPDUDE-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2CCS(C)(=O)=O)c1C 65381230 VDHSMEPVLLSZLB-UHFFFAOYSA-N 400.504 2.770 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)Cn4cncn4)C3)cc2)c1 77387063 NFYCSQKXJQDULU-IBGZPJMESA-N 419.485 2.831 0 50 HFAA COc1ccc(CN2CCN(Cc3cccc4nonc34)C[C@H]2CCO)c(C)c1C 104515984 FJSDXNVQZJGYCP-HXUWFJFHSA-N 410.518 2.917 0 50 HFAA COc1cccc(CC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 169777240 HBTWXCLLMSIERV-UHFFFAOYSA-N 424.476 2.716 0 50 HFAA O=S1(=O)CC[C@H](N(Cc2cccs2)C[C@@H](O)COc2ccc(Cl)cc2)C1 226776578 REWRVMSBXKGXPX-JKSUJKDBSA-N 415.964 2.831 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 239306085 GJVZDPOWAADTNV-VXCLMFOKSA-N 409.482 2.861 0 50 HFAA CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)NC[C@H]3COc4ccccc4O3)N=C2O)cc1 252494666 OBKVBWKCYSCBTN-ZWKOTPCHSA-N 423.469 2.786 0 50 HFAA O=C(COc1ccccc1)N1CCOc2ccc(CN3CCCC[C@H]3CO)cc2C1 299758391 MKVWIHKAEAHFMB-NRFANRHFSA-N 410.514 2.833 0 50 HFAA CC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C 409412994 JVYKACNAMBILMM-YLJYHZDGSA-N 419.485 2.527 0 50 HFAA Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 431157365 STMMIOOCHBWJQG-WCQYABFASA-N 402.248 2.883 0 50 HFAA C[C@H](CO[C@H]1CCOC1)NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436555027 HXKLZRAZAXWTDV-TYCQWZJGSA-N 412.486 2.564 0 50 HFAA NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 804410941 AMGOVEVBZYIHQT-NRFANRHFSA-N 410.495 2.710 0 50 HFAA Cc1nc(NC(=O)N[C@H]2CCc3c(nnn3C)C2)sc1Cc1ccccc1F 1310734206 YVXSCRJAGWANGJ-ZDUSSCGKSA-N 400.483 2.989 0 50 HFAA O=C(c1cccs1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676910 ZFNQZFREYMISNV-SFHVURJKSA-N 418.490 2.798 0 50 HFAA CC[C@H](C(=O)N(C)[C@H](CNC(=O)c1cc(C)sn1)c1ccccc1)n1cncn1 1875355025 XRYBOLBGWXQFKG-QZTJIDSGSA-N 412.519 2.624 0 50 HFAA N[C@H]1CCCC=CCOc2ccccc2C(=O)N(Cc2ccccc2)CCNC1=O 2325888374 NKLUGDWBLADBLO-NRFANRHFSA-N 407.514 2.891 0 50 HFAA COc1cccc(-c2cnc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)[nH]2)c1 2356150850 CEPJNFPBOLKJQH-CQSZACIVSA-N 414.487 2.879 0 50 HFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc2c(s1)C1(CCNCC1)OCC2 2356164349 PNHMXXWSOYRDBB-UHFFFAOYSA-N 409.515 2.615 0 50 HFAA CCOc1ccccc1N(CC(=O)Nc1ccc(OC)c(OC)c1)S(C)(=O)=O 824219 COMZUSNPQHFSLR-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COc1cc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 942739 MGZAAZJDJOKEQN-NRFANRHFSA-N 411.483 2.977 0 50 HFAA COc1ccc(NC(=S)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2)cc1 1121659 AAMWVURKZMHDHP-GOSISDBHSA-N 412.515 2.530 0 50 HFAA Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1N1C(=O)CCC1=O 1125033 MLLOHPBHULISFG-CQSZACIVSA-N 410.401 2.746 0 50 HFAA CCSc1nnc(NC(=O)CCC(=O)Nc2nnc(SCC)s2)s1 2750453 GAESDXLCKJOHFF-UHFFFAOYSA-N 404.568 2.971 0 50 HFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 6730720 DXDJZDUZHWFDIE-ZIAGYGMSSA-N 418.515 2.705 0 50 HFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12246427 ANDYEYJFXYXFNB-HNNXBMFYSA-N 423.517 2.930 0 50 HFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 12381253 FGPUGSYBHCLSQI-UHFFFAOYSA-N 421.563 2.694 0 50 HFAA CN(Cc1ccno1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 14981356 DSMQXPQWWJLHHO-QFIPXVFZSA-N 418.497 2.691 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 15019300 PVZNFPFDIIQVPC-UHFFFAOYSA-N 403.552 2.984 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(=O)N1CCOCC1 16647988 XVMHJSMBFKHENP-UHFFFAOYSA-N 410.492 2.821 0 50 HFAA CCOC(=O)C[C@@H]1COCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C 19228426 YAVDUDIHXZJAMR-QGZVFWFLSA-N 402.447 2.591 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 32541246 UFSVOWDSSUZLOP-RTWAWAEBSA-N 419.928 2.974 0 50 HFAA O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 77406933 GJEVOKVTAYKBBP-UHFFFAOYSA-N 420.469 2.840 0 50 HFAA O=C(O)C1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1 91452333 UZQQXDKQKHBZRY-UHFFFAOYSA-N 410.257 2.604 0 50 HFAA Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cnn(C(C)C)c2n1 170621229 QLHXHYFUJWEGLR-LBPRGKRZSA-N 422.445 2.674 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1F 195568328 GEGYIPIJWZTGBW-CQSZACIVSA-N 408.499 2.721 0 50 HFAA CCCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252693644 FISGPBUWTXPNRF-WHLIWEHUSA-N 407.514 2.799 0 50 HFAA biogenic COC(=O)c1cn([C@@H](Cc2ccccc2)c2nc(C(C)C)n[nH]2)cc2c(=O)[nH]nc1-2 263588831 YZLACKYXXVVKAG-INIZCTEOSA-N 406.446 2.536 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@@H]1CCCN(C(=O)c2ccco2)C1 827848353 KYCQTBVIRMAVSH-CQSZACIVSA-N 404.850 2.668 0 50 HFAA Fc1cnc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1N1CCOCC1 1704305377 PKBIYJQDBRMUDP-UZLBHIALSA-N 409.465 2.670 0 50 HFAA COc1ccccc1Cc1nc([C@H]2C[C@@H]3CC[C@H]2O3)n(-c2ccc3nnc(C)n3n2)n1 1857727616 WJKHKJPQTKTSBH-XYJFISCASA-N 417.473 2.648 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4cncn4CC)CC3=O)sc2c1 1857734204 NUWAPJZUIFCYTG-CYBMUJFWSA-N 413.503 2.581 0 50 HFAA Cc1ccc2c(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cnn2c1 1857740674 UDLYAOADSZPVEH-VIZSFHNOSA-N 402.454 2.557 0 50 HFAA CCc1nnc(N2C[C@H](C(=O)NCC3(c4ccc(Cl)cc4)CC3)CC2=O)s1 1875243689 SRWLUGQGOPFNRL-GFCCVEGCSA-N 404.923 2.955 0 50 HFAA O=C(Cn1cnc2ccc(I)cc2c1=O)Nc1ccccc1F 638852 XFMVSMNADLXMQY-UHFFFAOYSA-N 423.185 2.779 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 2836530 QYPLOUDZPVDMRE-UHFFFAOYSA-N 410.952 2.506 0 50 HFAA O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CN(Cc2ccccc2)CCCO1 225827335 ZDWAIQFVARNWRI-CYFREDJKSA-N 421.497 2.507 0 50 HFAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1I 101469357 BXEDGFJKQVMBNP-OUJBWJOFSA-N 407.273 2.767 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc(OC)c1 104528572 DTGIUVJLLXMWJU-LJQANCHMSA-N 418.509 2.920 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc2c(s1)CCC2 170625559 PJXMSCCBCLNMPR-ZDUSSCGKSA-N 404.879 2.734 0 50 HFAA CCOc1cc(NC2CCN(C(=O)NCc3nc(C4CC4)cs3)CC2)ncn1 467231633 SWIFTGVSCCRZCF-UHFFFAOYSA-N 402.524 2.995 0 50 HFAA O=C(NC[C@@H]1CCCN1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67856074 BBUILXJEJRRBMO-IBGZPJMESA-N 405.546 2.717 0 50 HFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCN(C3Cc4ccccc4C3)CC1)C2 67655064 GGLDBWXKAJHGCM-LJQANCHMSA-N 408.546 2.634 0 50 HFAA C[C@H](C(N)=O)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 71748533 LZEJKNONKKTVFW-CQSZACIVSA-N 405.930 2.700 0 50 HFAA CCCn1cnnc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)oc1C 670452807 MVFBQTVIXHFYIZ-UHFFFAOYSA-N 419.385 2.742 0 50 HFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 952962266 BOVWNLWOZSMFEB-DLBZAZTESA-N 400.523 2.554 0 50 HFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 734952779 CELDSXVHHWNJOS-KSSFIOAISA-N 424.423 2.920 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 1506409428 HBLRCWLWBKSKPR-INIZCTEOSA-N 400.504 2.923 0 50 HFAA Cc1ccccc1-c1noc(CCCC(=O)N(CCN(C)C)Cc2[nH]cnc2C)n1 1704312379 QIQXATOXFXQFGU-UHFFFAOYSA-N 410.522 2.990 0 50 HFAA O=C(NCc1cn2c(n1)SCC2)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11820335 UYCKXRXXRJSEKC-HNNXBMFYSA-N 418.950 2.740 0 50 HFAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1Cl 12443805 VENLIKWXGIREIZ-OAHLLOKOSA-N 421.925 2.928 0 50 HFAA O=C1CN(C(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)CCN1 12593079 KJUSPKOPALGGKL-UHFFFAOYSA-N 405.926 2.698 0 50 HFAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccco3)CC2)C1 12717238 VHVJAGOXRZJNIL-FQEVSTJZSA-N 409.530 2.955 0 50 HFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccnc1)CC2 14749886 ZQHXCNKWBKXFNJ-UHFFFAOYSA-N 408.502 2.909 0 50 HFAA Cc1ccccc1-c1noc(CCCC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)n1 1857684827 GGKPARJQWVSTFG-KRWDZBQOSA-N 413.474 2.708 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(Cl)o1)C2 1857699721 WMKBDDBRMWULOR-WHSLLNHNSA-N 424.925 2.829 0 50 HFAA CN(C)CC(=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857706172 CKMFNLGNZDVGIA-FQEVSTJZSA-N 401.551 2.563 0 50 HFAA CC(C)Oc1cccc(CC(=O)N2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)c1 328602940 DGINYYCRGNKXTN-LJQANCHMSA-N 410.518 2.647 0 50 HFAA COCCn1nnnc1S[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O 2325843586 JNLDRFVOPDPVGU-CYBMUJFWSA-N 402.307 2.914 0 50 HFAA NC(=O)[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)c1ccc(F)cc1 2325876500 XWMKJJYIDXWQPB-FXAWDEMLSA-N 405.429 2.688 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 5069244 VTGHWZUHYAWLBY-FUHWJXTLSA-N 402.516 2.973 0 50 HFAA O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 6767073 WDMPWKBBUSJFTE-UHFFFAOYSA-N 406.891 2.564 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 9356052 HCYYPZPHTUVAKB-OAHLLOKOSA-N 404.488 2.713 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(CCCn4cccn4)C3)C2=O)c1 11661123 TVLBNSAJWDMOPL-QFIPXVFZSA-N 400.498 2.936 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(F)c1)C2 11786103 JZZKMHQAOFUHFC-UHFFFAOYSA-N 405.495 2.557 0 50 HFAA CC(=O)c1ccccc1C(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 11812883 PBQMJIORSTWPAV-HNNXBMFYSA-N 406.529 2.781 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)=O)n[nH]2)C1 12316739 ATRREPSHJARJJU-NRFANRHFSA-N 401.438 2.780 0 50 HFAA CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1cn(C)nc1C)CC2 14538491 GXPZGUXOJWHLEH-UHFFFAOYSA-N 422.533 2.688 0 50 HFAA COc1ccccc1CCNc1ncnc2sc(C(=O)N[C@@H](C)CO)c(C)c12 14963793 WVKZRWINOJGGKP-LBPRGKRZSA-N 400.504 2.774 0 50 HFAA COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 14977908 RXQPHRAXMPIFOR-FQEVSTJZSA-N 414.502 2.634 0 50 HFAA COc1ccc2nc(NC(=O)c3n[nH]cc3I)sc2c1 18172634 YIFDNPORKSPGST-UHFFFAOYSA-N 400.201 2.885 0 50 HFAA CN1C(=O)[C@@]2(N=C(N)NC(Nc3ccc(Oc4ccccc4)cc3)=N2)c2ccccc21 19325373 DJUBDMLQMNCHTE-HSZRJFAPSA-N 412.453 2.994 0 50 HFAA CN1CCC(N2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 20110008 KBGBESKGZMDXHX-UHFFFAOYSA-N 408.546 2.949 0 50 HFAA CCOc1ccccc1NC(=O)CC(=O)NCCNC(=O)c1ccccc1Cl 55383986 FSEINMLTLOCBSO-UHFFFAOYSA-N 403.866 2.614 0 50 HFAA Cc1ccc(C)c(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 65362311 PDVMQTAWZYCRQA-UHFFFAOYSA-N 415.559 2.709 0 50 HFAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCC[C@H](C)N3CCCC3)CC2)c1 72437783 LCABZHIIDKHLOQ-IBGZPJMESA-N 421.607 2.527 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccs3)[C@@H]4C2=O)cc1C 77555017 OLJWALIDDYWOPE-CLWLKPMESA-N 423.538 2.701 0 50 HFAA CN1CCN(C2=Nc3ccccc3C(N3CCN(C)CC3)=Nc3ccccc32)CC1 101358517 IUCKHGCXVQEKKL-UHFFFAOYSA-N 402.546 2.651 0 50 HFAA CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 115875597 BIEXDVVZCIJGBL-MOPGFXCFSA-N 421.497 2.959 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2c(Cl)cccc21 169772649 HGVPNFCYXDSEIP-GOSISDBHSA-N 424.888 2.942 0 50 HFAA CC(C)C[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@H](C)C(=O)O 253487108 FAUIDMFIOTWXTC-UKPHBRMFSA-N 418.494 2.833 0 50 HFAA COc1ccc(S(=O)(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1C(N)=O 474195959 ZMTFPPJMSSBFQS-UHFFFAOYSA-N 412.467 2.801 0 50 HFAA CCCn1cnnc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1 670451130 ZIWDJOBFAFFXMC-UHFFFAOYSA-N 421.426 2.902 0 50 HFAA C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1nnnn1C1CC1 1875262734 GYIICSLCAJSESR-CYBMUJFWSA-N 420.425 2.928 0 50 HFAA CN1CCCN(c2ccc(F)cc2CNC(=O)c2cccc(-c3nnco3)c2)CC1 2325734966 VIVMSIORSPXDER-UHFFFAOYSA-N 409.465 2.948 0 50 HFAA Cc1sc(O)nc1C(=O)N1CCN(C(=O)C/C=C/c2ccccc2F)[C@@H]2C[C@H]21 2325841258 LQTCTKIXDWZBDR-RKIWFNSJSA-N 401.463 2.825 0 50 HFAA COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccc(CN)cc3O)CC2=O)cc1Cl 2325843073 SWJMIUUPBCMJST-LBPRGKRZSA-N 419.865 2.513 0 50 HFAA CN(C(=O)[C@H]1C[C@@H](n2cnnc2)C1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]2CC[C@@H]2C1 2325872654 IGMVUQNSTLJODG-NLIOUBQXSA-N 411.550 2.646 0 50 HFAA NS(=O)(=O)c1ccc(CCNC(=O)C2c3ccccc3Oc3ccccc32)cc1 892839 DVQCBWUZOCMQSP-UHFFFAOYSA-N 408.479 2.931 0 50 HFAA O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCC1 1129318 RWEMKVDXDFQWGG-UHFFFAOYSA-N 401.513 2.988 0 50 HFAA COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 1137460 YCCATOJALPNWPQ-UHFFFAOYSA-N 410.879 2.956 0 50 HFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 2988996 MGZSDUWSWIZVLP-KRWDZBQOSA-N 404.260 2.922 0 50 HFAA O=C(NCCCO)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc(Br)o1 8720997 QQZVHGRBJQLMEF-JCOGXMLUSA-N 419.275 2.868 0 50 HFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1OC 11697926 IPSJBXCRVBGYQV-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA CC(=O)NCC(=O)NC[C@@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 11783840 UIYVLWGGFFOHEY-AWEZNQCLSA-N 406.891 2.827 0 50 HFAA COc1ccc2c(c1)O[C@H](C)CN(CCNC(=O)CCn1cnc3ccccc31)C2 11790658 NMXSAZISQVNKON-QGZVFWFLSA-N 408.502 2.834 0 50 HFAA CSCCCNC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 11838403 DBZKYHZXRDHQOA-UHFFFAOYSA-N 421.592 2.907 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccccc2OC)c1=O 11910019 PCZWBJLRRQSUQZ-UHFFFAOYSA-N 411.502 2.694 0 50 HFAA COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4ccc(OC)nn4)ccc3O2)c(OC)c1 12040381 GDGUKJGDRRASDY-KRWDZBQOSA-N 421.453 2.903 0 50 HFAA CCOc1cc(CN2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)ccc1O 12131459 LYXSJNIWOLJDMQ-OAQYLSRUSA-N 415.538 2.664 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 12719087 ZTWGTTUOYWAKRO-GOSISDBHSA-N 402.514 2.537 0 50 HFAA O=C(CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCN1CCCC1=O 14880966 XCNLRKZIFPUAIB-VWLOTQADSA-N 421.541 2.940 0 50 HFAA Cc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)n1 14980597 YXMHECKAMFXZNS-JOCHJYFZSA-N 402.498 2.550 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 16624702 RSGVEOAGWDSUHO-UHFFFAOYSA-N 421.544 2.537 0 50 HFAA CCn1cc([C@@H]2C[S@](=O)CCN2Cc2coc(-c3ccc(OC)cc3)n2)cn1 241965545 UTRRZYPNTAWSEF-HMILPKGGSA-N 400.504 2.872 0 50 HFAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(-c3ccccc3F)o2)c1O 252509637 YSTRBKKPQNSVLW-LLVKDONJSA-N 400.362 2.686 0 50 HFAA COc1ccc(C2=C/C(=C(/O)N=c3cc(C)[nH]n3[C@@H]3CCS(=O)(=O)C3)N=N2)cc1 334159305 XIWRGKJGIKIDHI-PBSDLIBESA-N 415.475 2.628 0 50 HFAA NC(=O)c1cc(CNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)on1 429539663 RMQYWNVAJMSDQN-UHFFFAOYSA-N 409.233 2.647 0 50 HFAA O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1nnc2n1CCOC2 435672953 LUCIQMSQWMXSTL-UHFFFAOYSA-N 418.906 2.853 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 1506416934 YUCSKESQWJDYOY-UHFFFAOYSA-N 411.911 2.522 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)NC12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 1506420131 VKBJVPCDDNVAMC-AGXSTUJCSA-N 416.547 2.930 0 50 HFAA CC(=O)N1C[C@H]2[C@@H](NC(=O)CCc3nc(-c4ccccc4F)no3)CCC[C@H]2C1 1857680957 SMKJUTUSOBPLPJ-LESCRADOSA-N 400.454 2.572 0 50 HFAA Cc1ccc2nc(N3C[C@H](C(=O)NCCCc4csc(=N)[nH]4)CC3=O)sc2c1 1857720342 PRMSACISPJTEIO-GFCCVEGCSA-N 415.544 2.576 0 50 HFAA O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccnc3cc(F)cnc23)CC1 1875255460 ZYHFHOKZISERKE-UHFFFAOYSA-N 403.417 2.848 0 50 HFAA O=C(NC[C@H](O)c1ccc2ccccc2c1)c1nn(-c2cccc(F)c2)ccc1=O 1875257643 JKDJZUSOQGWFAQ-NRFANRHFSA-N 403.413 2.988 0 50 HFAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)NCCCOC3CCCCC3)nc12 1875350599 TXUSQYMKEZOUMZ-UHFFFAOYSA-N 421.501 2.964 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)C1 1875371956 RMCIQCZZFMKGPQ-DOTOQJQBSA-N 407.308 2.774 0 50 HFAA COCCN1C(=O)[C@@]2(CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)C2)c2ccccc21 2100539589 PDRICKADZVNEAG-XMMPIXPASA-N 419.481 2.953 0 50 HFAA COc1ccc(-c2cc(C(=O)Nc3c(C(N)=O)n[nH]c3C)nn2-c2ccccc2)cc1 2325723351 DAFVWOGMNWKBCL-UHFFFAOYSA-N 416.441 2.931 0 50 HFAA C[C@@H]1c2ccccc2N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)[C@@H]1C 2325898981 HNDZFWRWSVYSMJ-MNVSYLFESA-N 417.465 2.600 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cn4ccsc4n3)C2)[C@@H]2CCCC(=O)N12 2356144973 VASRAYMLNQDUOC-MVJTYMMSSA-N 400.548 2.966 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4c[nH]nc4n3)CC1)OCC2 2356160987 AWVBUWUMHHZCPW-UHFFFAOYSA-N 408.458 2.679 0 50 HFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cncc(Br)c1 678417 DJUZSLUQWIGRGM-UHFFFAOYSA-N 421.320 2.808 0 50 HFAA O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(C(=O)c2ccccc2)cc1 2868440 UEINWYNIGVAZPO-UHFFFAOYSA-N 409.463 2.939 0 50 HFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 6208361 QPIDPCPAXVQQNO-UHFFFAOYSA-N 411.483 2.845 0 50 HFAA CCCN(Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1)CC1CC1 11716540 XPVQKQSPYOQOBB-OAQYLSRUSA-N 406.567 2.514 0 50 HFAA O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 11839005 RPQZUTVTFAYBDP-IERDGZPVSA-N 400.500 2.676 0 50 HFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnsn1 11947361 LOZVEKPLYJRKJR-INIZCTEOSA-N 405.543 2.593 0 50 HFAA COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1O 11999648 IEEBVOMNPRWQSE-SFHVURJKSA-N 403.567 2.946 0 50 HFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc(OC)c1 12209215 AJGKAOHRAUNGAV-QGZVFWFLSA-N 419.522 2.689 0 50 HFAA CC(=O)c1ccc(OCc2cc(C(=O)NCCSc3nccn3C)no2)cc1 12300951 TYGSUEBRXASQIZ-UHFFFAOYSA-N 400.460 2.712 0 50 HFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)n1 12712752 FVXJPFUFABEVFY-ZDUSSCGKSA-N 406.412 2.977 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 12756083 FISVYJLNBYLLLB-AWEZNQCLSA-N 423.897 2.758 0 50 HFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(CCc3ccccc3)=NO2)CC1 14989799 DTIOKBFTVAJYGF-JOCHJYFZSA-N 421.497 2.757 0 50 HFAA COCC[C@@H]1CCCCN1C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1 15067718 MHHZATFZAPCKQR-SFHVURJKSA-N 424.563 2.521 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 19223866 HBHGNRYINAEWPJ-CYBMUJFWSA-N 401.417 2.699 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C 20166318 CYRJBFFIKVNUNV-SFHVURJKSA-N 404.580 2.595 0 50 HFAA CN1CCC(N2CCC(Oc3cccc(C(=O)NCCc4ccncc4)c3)CC2)CC1 20600509 KMBAODXZGOESGI-UHFFFAOYSA-N 422.573 2.992 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)[C@H](C)Oc4ccccc4)n3n2)cc1 169750962 KNBAHOCISJWIHC-HNNXBMFYSA-N 403.442 2.884 0 50 HFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N(C)c2ccccc2)C2=C1C(=O)OC2 169764780 VQTZAAFQSLDYBD-OAQYLSRUSA-N 421.453 2.626 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC3CCCCCCC3)C2=O)cc1 223241781 SKBUOUDUYHBCDS-LJQANCHMSA-N 401.507 2.777 0 50 HFAA Nc1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3F)C2)n1 225829788 ZYLYKZKJVQMFSB-JTQLQIEISA-N 415.288 2.529 0 50 HFAA Oc1c([C@@H](c2ccc(Br)cc2F)N2CCOCC2)sc2ncnn12 252478246 AGINKKWDTQDUKM-GFCCVEGCSA-N 413.272 2.820 0 50 HFAA COc1ccc(NC(C)=O)cc1NC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252572381 ZEPBLMLIHCJUBZ-QGZVFWFLSA-N 424.457 2.697 0 50 HFAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 263617755 PLXGZACHBUMZOJ-OAQYLSRUSA-N 422.529 2.841 0 50 HFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 470405484 SZESIRPOTOQCMG-QBIMZIAESA-N 420.435 2.729 0 50 HFAA CN(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 477497542 CJYLODZASFXPMP-UHFFFAOYSA-N 405.495 2.931 0 50 HFAA O=C(Nc1ccn(-c2ccncc2)n1)c1ccccc1NS(=O)(=O)C(F)(F)F 733786404 UOOFMUYCTOIIBW-UHFFFAOYSA-N 411.365 2.781 0 50 HFAA C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)C[C@H](CO)O1 787471468 MMKZMXIFCATMLD-DOTOQJQBSA-N 420.465 2.895 0 50 HFAA C[C@@H](OC(=O)c1[nH]nnc1-c1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 805551749 LSHAGCFXHUEDGA-CQSZACIVSA-N 419.441 2.783 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(-c3cnc[nH]3)c2)cc1 1506428011 WTOPTRSZXXXZQM-NRFANRHFSA-N 403.486 2.714 0 50 HFAA OC[C@]12CN(Cc3nccs3)C[C@@H]1CN(C1CCN(c3ccc(F)cc3)CC1)C2 1772711089 YQCSZIQVDBMGSY-VGOFRKELSA-N 416.566 2.677 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(CCc3nccn3C)C[C@]2(CCc2ccccc2)C1 1772712872 SPQRGPWFBGKAEH-NZQKXSOJSA-N 412.603 2.719 0 50 HFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(OCCCN(C)C)cc2)cn1 1857676897 YVGLFPNYIRZNGD-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA COc1cccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 2100539668 SSZIMVABEYUBQC-UHFFFAOYSA-N 410.518 2.507 0 50 HFAA O=C(N[C@H]1Cc2ccc(Br)cc2NC1=O)c1ccc(-c2cn[nH]c2)cn1 2325840100 OZDDNGATEHRZSE-INIZCTEOSA-N 412.247 2.527 0 50 HFAA CCc1c(C(=O)NCCCCn2cc(C(=O)O)nn2)cnn1-c1cccc(Cl)c1 2325870701 KZVCNGMWLLYZOE-UHFFFAOYSA-N 416.869 2.588 0 50 HFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCC(=O)c2ccc(OCC)c(C)c2)CC[C@H]1O 2356162908 STVQKURBLBGWPD-DENIHFKCSA-N 405.491 2.821 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1108748 QEEDICDWNQZHBF-INIZCTEOSA-N 421.950 2.664 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)n1 2498365 FXZQBXXITNUZJL-UHFFFAOYSA-N 414.468 2.724 0 50 HFAA O=C(c1nc2ccccn2c1CNCCCCN1CCCCCC1)N1CCOCC1 11664209 NWYKEEQPZRQBJN-UHFFFAOYSA-N 413.566 2.553 0 50 HFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCOC)C(=O)N2CCc1ccc(OC)cc1 14754380 BZXRACFSTQHZIG-GOSISDBHSA-N 417.550 2.781 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14982060 MHEGZMFMQUKHQQ-GOSISDBHSA-N 420.513 2.963 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc(C)cc2)c1=O 14995368 AYLJMEUAFOXWDX-UHFFFAOYSA-N 403.482 2.689 0 50 HFAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2OC)CN1Cc1ccccc1 23363234 DVIFLDCQRUNBJL-SFTDATJTSA-N 411.546 2.881 0 50 HFAA COc1cccc2c1ccn2CCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772807 WGQNEVNOOMNBJB-HNNXBMFYSA-N 417.469 2.696 0 50 HFAA CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1 170611012 ZDVWMPGJFWRCMC-BAMWUGHESA-N 404.463 2.572 0 50 HFAA COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)n2cc(Cl)ccc2nc1=O 205976440 CSUPJEQBEWIFDD-CYBMUJFWSA-N 410.817 2.692 0 50 HFAA C[C@H](CNC(=O)[C@@H]1CC=CCC1)OC(=O)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 222046729 GFFWMLZXYHOBCH-GUDVDZBRSA-N 402.535 2.986 0 50 HFAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 248335441 MWHGJMCVJKVUHD-LYXWCMDISA-N 419.456 2.874 0 50 HFAA CN1CCCCC[C@H]1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccncc1 299758160 NZPCKZGXAJHWOL-RTWAWAEBSA-N 412.578 2.634 0 50 HFAA Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](c4nn(C)cc4C(=N)O)C3)cccc2c1 328605972 PYIMFWPLNSRABG-OAHLLOKOSA-N 413.503 2.728 0 50 HFAA O=C(CCn1c(=O)sc2ccccc21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 334162090 NYVNTMSXKLAYRO-INIZCTEOSA-N 409.467 2.747 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H](NC(C)=O)C4)csc3C2)nc1 426489916 NRIYAHJVTVQNCF-SFHVURJKSA-N 412.559 2.614 0 50 HFAA COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1Cl 1529145531 BPRHZCZUMWZXGI-SNVBAGLBSA-N 406.895 2.821 0 50 HFAA CSCC(=O)N1C[C@H]2CN(C(=O)c3[nH]cnc3C)C[C@]2(CCc2ccccc2)C1 1772707592 WGKMYAMVTQYCTP-AVRDEDQJSA-N 412.559 2.615 0 50 HFAA CN(C)CC(=O)N1CCC2(CCC[C@@H]2NC(=O)c2conc2-c2ccccc2)CC1 1857701944 SNXFNTXIEVEJGJ-IBGZPJMESA-N 410.518 2.794 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 1857735232 NRBRRELZLTUEIG-CQSZACIVSA-N 407.499 2.945 0 50 HFAA Cc1nc(C)c(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)s1 1857735590 GDIBQXMVKLIILU-ROUUACIJSA-N 403.552 2.562 0 50 HFAA Cn1cccc1C(=O)N1CCc2ncc(CNC(=O)/C=C/c3ccccc3)cc2C1 1875248293 IZVSARUKTRVVLR-MDZDMXLPSA-N 400.482 2.948 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)Cc2cnn3c2CCCC3)CC1 1875386775 YMTUNFFKPZWJHQ-UHFFFAOYSA-N 406.530 2.625 0 50 HFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc3nnc(-c4cccn4C)n3c2)n1 1940195007 HZFCWZKVHKXNJV-UHFFFAOYSA-N 415.379 2.782 0 50 HFAA O=C(NC1(Cc2c(F)cccc2F)CCCC1)C1CCN(C(=O)[C@@H]2CCCN2)CC1 2325827412 FNLPFCWYSALLCU-FQEVSTJZSA-N 419.516 2.927 0 50 HFAA C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3cc([C@@H]4CCNC4)[nH]n3)ccc21 2325860965 AGDFHDYTPPNSTE-WDEREUQCSA-N 422.411 2.661 0 50 HFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 890163 OCBOUSWEPXAXRT-IBGZPJMESA-N 402.516 2.726 0 50 HFAA COc1ccc(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 4524720 KQWLHVRTUWBZLJ-SFHVURJKSA-N 416.499 2.729 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 4726540 IOZNYFFOOLOPHF-OAQYLSRUSA-N 421.497 2.612 0 50 HFAA O=C(N[C@H]1CCCCNC1=O)c1ccccc1OC1CCN(Cc2ccccn2)CC1 12076770 KOELUFCZVHVYHS-NRFANRHFSA-N 422.529 2.524 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19889675 BWNOUZJRXJKPTO-FYYLOGMGSA-N 419.525 2.502 0 50 HFAA Nc1cc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc(N2CCCC2)n1 95511830 TZHVQAXNUKFGLL-UHFFFAOYSA-N 404.522 2.683 0 50 HFAA CCN(C(=O)CN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1COC2=O)c1ccccc1 169757927 AQIAYDMUSVHWBI-OAQYLSRUSA-N 405.454 2.925 0 50 HFAA COc1ccccc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169776917 BVTKNXCFGYVBGU-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA Cc1noc(-c2cn(C3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4)CC3)nn2)n1 169778627 PSRMYSSUZBLJDL-LBPRGKRZSA-N 416.869 2.921 0 50 HFAA COC(=O)C1=NOC2(CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)C1 170609665 BNGRISSCYMNABC-UHFFFAOYSA-N 411.842 2.673 0 50 HFAA Cc1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)c2c(c1)[C@@H](C)CCN2 241470618 NWNMSQQPCQEBOM-ZDUSSCGKSA-N 402.472 2.601 0 50 HFAA COc1ccc(CNC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 252539870 OPFSEOSEWFNTOB-HXUWFJFHSA-N 420.469 2.550 0 50 HFAA COc1ccccc1N1CC[C@H](N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1=O 464864130 GYWSNUKUOFFFQB-FQEVSTJZSA-N 411.477 2.706 0 50 HFAA O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)C1(N2CCOCC2)CCCCC1 827661393 WFAYGLHCYLIPML-FQEVSTJZSA-N 403.542 2.941 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 886025650 PSSPRTLFMBOPFD-RTBURBONSA-N 420.444 2.941 0 50 HFAA Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cc(-c5ccccc5O)[nH]n4)CC[C@@H]32)n1 1775982817 SOEQZCRSTFKEEC-KKSFZXQISA-N 403.486 2.832 0 50 HFAA Cc1c(NS(=O)(=O)c2sc(C(=O)O)cc2Br)cnn1C(F)F 2325828271 CHDKLVFTRZOARF-UHFFFAOYSA-N 416.225 2.910 0 50 HFAA CCc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CCc5c[nH]c(=N)nc54)C3)n[nH]2)cc1 2356153030 OCPXSUMYPNCBTQ-HSZRJFAPSA-N 402.502 2.962 0 50 HFAA COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 797716 VAIWXKQATCIWEJ-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC 4764322 YEQVNYWGTWEHKN-XIRDDKMYSA-N 410.536 2.738 0 50 HFAA COc1cc(Cl)cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c1OC 11820891 DIFCZOQIDKDBRL-WOJBJXKFSA-N 419.953 2.862 0 50 HFAA CCCC[C@@H]1CN(CC(=O)NC[C@@H]2CCN(CCOC)C2)Cc2ccccc2O1 11870510 OSFLDXAZVINGPV-PZJWPPBQSA-N 403.567 2.524 0 50 HFAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCC2(C=Cc3ccccc32)CC1 12202748 RFMRAPQCOPOKEE-UHFFFAOYSA-N 406.534 2.636 0 50 HFAA COC[C@@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 12207797 BZKWACGTVZNWTB-IBGZPJMESA-N 405.564 2.920 0 50 HFAA COc1ccc(-c2cnnc(N3CCC([C@H](O)c4ccccn4)CC3)n2)c(OC)c1 12308602 CJVOZOVZHUMMMX-NRFANRHFSA-N 407.474 2.901 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 12711940 IPVGJIPBOVWLPT-SFHVURJKSA-N 410.006 2.975 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCCO)c1 14981539 ZMIWTDOUMLTORC-GOSISDBHSA-N 418.534 2.852 0 50 HFAA COc1ccc(-c2nn3c(NCCN4CCOCC4)cc(C)nc3c2C)cc1OC 23118871 NJBKTVCMFFYPLW-UHFFFAOYSA-N 411.506 2.774 0 50 HFAA CC[C@H](C)Oc1c(Cl)cc(CN2CCN(C(=O)c3nc[nH]n3)CC2)cc1OC 55575729 FPXHYYJXWYRVDX-ZDUSSCGKSA-N 407.902 2.602 0 50 HFAA COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O 115757207 LZFNDGJCEJITHC-SFHVURJKSA-N 422.485 2.813 0 50 HFAA CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(OC)c(F)c4)CC3)nn2)n1 169777340 IJVJIAYBVRXFRW-UHFFFAOYSA-N 400.414 2.516 0 50 HFAA C[C@@H]1NC(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)=NN(c2ccccc2)C1=O 170636931 ZGOVQTQNSHTUCC-DETPVDSQSA-N 400.841 2.790 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1 206236389 KZHBJIMQSCBHJM-GOSISDBHSA-N 406.442 2.636 0 50 HFAA CC(=O)N1CC[C@H](CN(C)Cc2c(Br)cncc2Br)C1 225422341 FETQTVRYAPSYHX-LLVKDONJSA-N 405.134 2.907 0 50 HFAA O=C(O)c1cnn(-c2ccc(C(=O)N3CC[C@]4(CCOC4)C3)cc2)c1C(F)(F)F 238090071 KXRBZSRYLNZGSH-SFHVURJKSA-N 409.364 2.842 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 253410920 NYCIXQRVEYXLSB-LTMIRXACSA-N 413.518 2.779 0 50 HFAA biogenic CCC(CC)c1nc(Cn2ccn3nc(-c4ccc(OC)cc4)c(CO)c3c2=O)no1 263616467 IVXJEZKTULMQIF-UHFFFAOYSA-N 423.473 2.999 0 50 HFAA COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(N)cnc2n1CCc1ccccc1 299759056 NBTJCCFJGJXPOY-KRWDZBQOSA-N 408.458 2.765 0 50 HFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2nn3cc(C(C)(C)C)nc3s2)C1 328606179 QRNYJCYZDLKJRR-GFCCVEGCSA-N 401.540 2.897 0 50 HFAA CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](Oc2ncccc2F)C1 787587828 JBCADVQCSKTBTB-ZFWWWQNUSA-N 411.499 2.901 0 50 HFAA COc1cccc(CC(=O)N2CCC(CNC(=O)c3cncc(Cl)c3)CC2)c1 824775226 BEKPUYYFKWHXCD-UHFFFAOYSA-N 401.894 2.955 0 50 HFAA CC(C(=O)N1CCC(=O)NCCN(c2ncnc3c(C)csc23)CC1)=C1CCC1 952879435 IHSUPBRHQQAIGZ-UHFFFAOYSA-N 413.547 2.655 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 952964938 CCZCUGRKZZOHQC-INIZCTEOSA-N 402.476 2.605 0 50 HFAA O=C(Nc1ccc2scnc2c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 952983248 JGIMASGFFBTYFT-ITBLURSFSA-N 418.478 2.612 0 50 HFAA COC[C@H]1CCCN(S(=O)(=O)N(Cc2ccccc2)Cc2ncccc2C)C1 1506425607 GIWXTRPANKXMRC-FQEVSTJZSA-N 403.548 2.995 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn(-c3ccsc3C(=O)O)nn2)s1 1875324918 NZMDQXMVLBNQMV-UHFFFAOYSA-N 405.505 2.853 0 50 HFAA C[C@]1(C(=O)NCc2ccc3c(c2)C(=O)NC3)CCN(C(=O)OCc2ccccc2)C1 1875342294 JQJFGOZWBJAGGG-QHCPKHFHSA-N 407.470 2.595 0 50 HFAA Cc1cc2c(cc1C)[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C1)CO2 2325793956 MLENVCXSPOPENN-XRWYKKBNSA-N 412.530 2.606 0 50 HFAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 2356148525 DDWFQABNVDOZHD-VQIMIIECSA-N 409.408 2.684 0 50 HFAA COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1 778591 KRJWENPKINOPNY-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c3ccccc3c(C)nn12 2371417 OAPLJKLJEZMOOK-UHFFFAOYSA-N 423.498 2.582 0 50 HFAA COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1 3554205 WPPAULFDJLVQCW-UHFFFAOYSA-N 424.906 2.930 0 50 HFAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cc(F)ccc3F)CC2)O1 11841711 RKOZSVQKOGJODH-KRWDZBQOSA-N 404.461 2.642 0 50 HFAA COc1ccc(Cn2cc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)nn2)cc1 11874336 OXETUSVONJNBNI-HXUWFJFHSA-N 402.458 2.703 0 50 HFAA Cc1c(C(=O)N2CCCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 12025659 JVGTYLKSDJQJBC-CQSZACIVSA-N 422.576 2.863 0 50 HFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1ccnn1C 12386354 GCCHGPYEBRXAIU-UHFFFAOYSA-N 423.605 2.693 0 50 HFAA Cc1nc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 14755508 BUOYQSLBKDQVKG-UHFFFAOYSA-N 409.515 2.597 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(Cc2ccccc2)CC1 20723981 AWBVJKCPBBCSOW-UHFFFAOYSA-N 422.916 2.908 0 50 HFAA O=C(NC1CCNCC1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67688793 JHVMXKHWBISREZ-SFHVURJKSA-N 405.546 2.717 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@@H](c2ccncc2)C1 225719972 JKVFALUPIGHNNN-RBUKOAKNSA-N 419.522 2.788 0 50 HFAA C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](OCCN2CCCC2)C1 229888321 ZMDAOSIFNHGXNV-CRAIPNDOSA-N 410.356 2.963 0 50 HFAA C[C@@H](SCc1ccccc1)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 241126151 JJVZIYZQPPOQCZ-SJLPKXTDSA-N 407.580 2.976 0 50 HFAA C[C@@H]1[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)CCC[C@H]1C 241586472 OWEXVSSBRKJRAX-ICRDPNKISA-N 423.460 2.996 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408516990 ICHGRHUBHYANMX-MQYQWHSLSA-N 412.412 2.595 0 50 HFAA CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 787587823 JBCADVQCSKTBTB-HIFRSBDPSA-N 411.499 2.901 0 50 HFAA Cc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)COCc3ccccc3)C2)c1Cl 828022241 XXILAKPBKKDNGP-INIZCTEOSA-N 404.898 2.557 0 50 HFAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952891934 DESPBANKYRNELN-HKUYNNGSSA-N 415.534 2.744 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn(C[C@@]3(F)CC[C@@H](C(=O)O)C3)nn2)s1 1875325409 XKCLVPKLWHRIRB-AUUYWEPGSA-N 423.514 2.697 0 50 HFAA O=C(NC(=S)Nc1ccc(I)cn1)c1ccccc1F 679136 TZCUGWILENZLHT-UHFFFAOYSA-N 401.204 2.952 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1 881226 XBPIGAILSLKDTM-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA CCn1cc(C(=O)NC(=S)Nc2ccc(I)cc2C)cn1 1003218 DOFCROGHYRDLKE-UHFFFAOYSA-N 414.272 2.943 0 50 HFAA CC(=O)c1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1 1062759 UYPFIRBNMLJXMV-UHFFFAOYSA-N 409.467 3.000 0 50 HFAA COC(=O)c1sccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 1075532 LTBUWUVFGXXTIQ-UHFFFAOYSA-N 402.453 2.835 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)c2cccc(I)c2)cc1 1115099 QSWOUHHBEBJLIT-UHFFFAOYSA-N 401.225 2.718 0 50 HFAA COc1ccc(NC(C)=O)cc1CNC(=O)CSc1nnc(-c2ccco2)o1 1125626 YVBCFKWKSDQHBK-UHFFFAOYSA-N 402.432 2.705 0 50 HFAA CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc(C(N)=O)c1C 2764688 NPGOXGWCRIGMLD-UHFFFAOYSA-N 400.412 2.691 0 50 HFAA CCOc1ccc(-n2nnc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2C)cc1 11692779 KJXZCYDFMBMZCJ-UHFFFAOYSA-N 420.517 2.979 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697266 ARAJNSOQCAWUTO-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COCc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2cccs2)n1 11913285 DUMZYYPGCAJTTJ-UHFFFAOYSA-N 420.498 2.905 0 50 HFAA COc1cccc(-c2cc(C(=O)N3CCSCC3)cc(-n3cnnn3)c2)c1OC 12212181 YHRAMULTVKAIEY-UHFFFAOYSA-N 411.487 2.536 0 50 HFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cc1cccnc1 12430029 GOPMNDZWZCSEAH-NRFANRHFSA-N 407.558 2.979 0 50 HFAA COCCc1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 12456992 DCBILYAYHQAZLL-LJQANCHMSA-N 420.517 2.702 0 50 HFAA O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944752 JBLPWVHTQASWIE-INIZCTEOSA-N 413.909 2.615 0 50 HFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)Cc2cnc3ncnn3c2)C1 19608762 FALHUJOCZXGGSD-GOSISDBHSA-N 419.464 2.822 0 50 HFAA CN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(Cl)c3)cc2)CC1 23374915 SFERWGNCWISTDO-NRFANRHFSA-N 403.954 2.617 0 50 HFAA CCN(Cc1nccn1C)C(=O)c1cc(-c2cnc(N)nc2)nc2c(C)cccc12 63855656 GHPRLJYEQGQKRG-UHFFFAOYSA-N 401.474 2.978 0 50 HFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)c1 67973697 QYNMWIHNAOTTHW-UHFFFAOYSA-N 401.532 2.916 0 50 HFAA COc1ccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1 91807833 SIJVSDFHFFLXTI-OAQYLSRUSA-N 402.535 2.958 0 50 HFAA O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95509908 NWHJMGZCGGAQFC-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)c(OC)c1 244873235 WMICMLGQTDQRMQ-HDICACEKSA-N 415.538 2.955 0 50 HFAA C[C@H]1[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 253431303 PEQMJYUIJFBMBN-BBRMVZONSA-N 407.392 2.942 0 50 HFAA O=C(NCc1ccccn1)c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2 263617371 NKMJBFURNQSNAG-MRXNPFEDSA-N 414.263 2.637 0 50 HFAA COCCCCS(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 476515569 WWMPVXAYPSMRSO-HXUWFJFHSA-N 421.563 2.678 0 50 HFAA CCn1c(=O)c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)o4)no3)ccc21 747864862 HMINFBMEVBIWBT-UHFFFAOYSA-N 403.192 2.782 0 50 HFAA COc1ccc([C@@H](CC(=O)NCCCN(C)C)c2cc3c(cc2O)OCO3)cc1 824655224 XZUJEQJAFFQTMZ-QGZVFWFLSA-N 400.475 2.719 0 50 HFAA biogenic COc1ccc(C(=O)N[C@H](C)CN2CCc3ccccc3C2)cc1N1CCOCC1 824730179 ZCTXCVCMMBYDFR-GOSISDBHSA-N 409.530 2.708 0 50 HFAA Cc1ccn2cc(CNCc3cnc(NS(=O)(=O)c4ccccc4)nc3)nc2c1 952966401 WAISZPQMRPRCQH-UHFFFAOYSA-N 408.487 2.523 0 50 HFAA COc1cccc(OCC(=O)N2CCC(CNC(=O)c3ccccc3F)CC2)c1 952976430 NXOSKJSPRXORJJ-UHFFFAOYSA-N 400.450 2.882 0 50 HFAA COCCn1c(=O)nc(O)c2ccc(-c3cc4c(C)c(C)c(=O)oc4c(C)c3O)nc21 1857526242 GNCGBTNGMXDAFY-UHFFFAOYSA-N 423.425 2.548 0 50 HFAA CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 812141 JMXXWVQWFFRNHR-UHFFFAOYSA-N 402.524 2.649 0 50 HFAA CCC(=O)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 842656 RYHYNSBUCBZXFP-HXUWFJFHSA-N 410.470 2.817 0 50 HFAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCC2(CC1)OCCO2 2876399 VCUQXAVRLSFASD-UHFFFAOYSA-N 422.363 2.987 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 6138920 KEQFUBVVUZRJPJ-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)CC1 11938032 JMBJLHUQKWBFBS-IBGZPJMESA-N 414.594 2.938 0 50 HFAA CCC[C@]1(C2CCN(C(=O)CC3CC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 11972838 UJIUQBOIGGQTQM-HSZRJFAPSA-N 412.534 2.754 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCC2CCCC2)cc1 12195067 NEGBMLYEHUZFOB-OAQYLSRUSA-N 401.551 2.862 0 50 HFAA COC(=O)CCCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 12746092 JKSURTGOKNTPAJ-LJQANCHMSA-N 421.557 2.771 0 50 HFAA CCc1c(C(=O)N[C@H]2CCOC(C)(C)C2)c(=O)cc(C)n1CCN1CCCCC1 14990429 NALBRIINZYVSDD-SFHVURJKSA-N 403.567 2.892 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)/C=C/c3cccs3)C2)nn1 15002279 MYLKNKLFRGZZRL-ZNFPLGDCSA-N 401.536 2.774 0 50 HFAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCc1ccccc1-n1cncn1 20601741 PRMFDFCCOOGYMU-UHFFFAOYSA-N 409.881 2.560 0 50 HFAA CN(Cc1ccccn1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82114818 XUPVFLWGVRHJRH-OAQYLSRUSA-N 407.562 2.812 0 50 HFAA O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239402580 QUPXXFWXUSLVRA-YMSNJSLYSA-N 416.477 2.560 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCC[C@]4(CC3)CNC(=O)O4)n2)c1 426424209 HPNAMDNWOXBYPO-NRFANRHFSA-N 414.462 2.559 0 50 HFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1ccc(C(=O)N2CCOCC2)cc1 828153339 YGZDMZSUUMERSU-IBGZPJMESA-N 413.543 2.615 0 50 HFAA COCCCCS(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 952886891 DHKFOXOGPQKQST-LJQANCHMSA-N 407.536 2.619 0 50 HFAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2NCc2cccc(Cn4cccn4)c2)C3)cc1 952971802 OWOIFBITENKVIJ-DHWVBAGJSA-N 413.569 2.589 0 50 HFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 1857699309 MAOWCEFYYGQSJD-UHFFFAOYSA-N 401.488 2.752 0 50 HFAA O=C(O)c1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cccs4)[C@H]4CC[C@]3(C2)O4)cc1 1857721918 MHUIZXXLIBCGCH-KCXPTXFHSA-N 412.511 2.856 0 50 HFAA CC[C@H](O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358236 NZJWGKOVJZCPDC-IRZJEQJZSA-N 422.533 2.960 0 50 HFAA CC1(C)CN[C@H](CC(=O)NCC[C@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)C1 1875359086 TZKVIELDBCZHNQ-JKSUJKDBSA-N 419.533 2.873 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3c(cccc3C(F)(F)F)[C@@H](C(=O)OC)C2)C1 1875371816 MQXZEZKGHFFMAE-CJNGLKHVSA-N 424.419 2.729 0 50 HFAA C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cccc2nnn(C)c12 2325744192 SRQIPCYCIQSHRX-OAHLLOKOSA-N 406.490 2.716 0 50 HFAA COc1cc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc(OC)c1OC 4813502 ZVIKGOLIUGVMCK-KRWDZBQOSA-N 414.458 2.874 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1 11753523 CUHGZPJZCNRRGK-UHFFFAOYSA-N 417.623 2.698 0 50 HFAA C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cccnc1)CC2 11791093 BHCIYRONLKGULN-AWEZNQCLSA-N 412.444 2.501 0 50 HFAA COCC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 11842575 OYNLJCFDKREOGF-LJQANCHMSA-N 418.534 2.734 0 50 HFAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCCN1CCCC1=O 11879761 ZBSHZCIABCSHCZ-UHFFFAOYSA-N 403.542 2.941 0 50 HFAA COc1cc(CN(C)C2CCCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 12112001 GFFYXEIVDHQQJF-OAQYLSRUSA-N 406.567 2.656 0 50 HFAA CC(=O)Nc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 14991010 NMGICIJJTSZIAC-FQEVSTJZSA-N 412.538 2.820 0 50 HFAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1cccnc1 15071049 JFAFLBUOSRODLY-CYBMUJFWSA-N 411.886 2.705 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nccs3)cc2)CC1 15074044 MFDYCJVXCCYLSV-CQSZACIVSA-N 403.504 2.650 0 50 HFAA COc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 16624674 LZVJNLJYAUITGV-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA Cc1nn2c(ncc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(F)cc1 40397050 AUFZANMGFRRSJT-UHFFFAOYSA-N 421.476 2.881 0 50 HFAA Cc1c[nH]c(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c(C)c1=O 77287986 DQRJINNRWPMPCS-UHFFFAOYSA-N 411.502 2.858 0 50 HFAA CC(C)(C)C(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77339086 KXCSWQOCQWQJEB-UHFFFAOYSA-N 401.532 2.533 0 50 HFAA O=C1[C@@H]2[C@H](C(=O)N3CCC[C@@H]3c3ccccc3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77555605 REHVRXLSGXYQAP-SDPNRYTFSA-N 415.493 2.727 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)n1 100658551 INXNRMWGBWUVRF-UHFFFAOYSA-N 401.444 2.541 0 50 HFAA COc1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1 169773461 WDZAQCKPPOKVDR-UHFFFAOYSA-N 409.442 2.549 0 50 HFAA CC(C)Cn1c(CN2CCN3CCC[C@H]3C2)cnc1S(=O)(=O)Cc1ccccc1 244691747 JIMYOLXYUYPTDN-FQEVSTJZSA-N 416.591 2.793 0 50 HFAA COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2n(C)c1=O 253413528 VABKOACFNKHRAC-UHFFFAOYSA-N 404.470 2.646 0 50 HFAA COCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C3CCC3)CC2)C1=O 299792671 GLBVKXAZVFNADV-JOCHJYFZSA-N 403.498 2.570 0 50 HFAA CN(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCCOC1 497472749 SQWNFDZMSVMULC-UKRRQHHQSA-N 401.385 2.511 0 50 HFAA C[C@H]1Oc2ccc(NC(=O)CCCc3nc(-c4ccncc4)no3)cc2N(C)C1=O 952964621 AYXVJDUCBZLFEE-CYBMUJFWSA-N 407.430 2.837 0 50 HFAA O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1772492392 CJGDSISGEYIGNY-SFHLNBCPSA-N 421.497 2.595 0 50 HFAA N[C@@H]1CCCC=CCOc2ccccc2C(=O)N(Cc2ccccc2)CCNC1=O 2325888375 NKLUGDWBLADBLO-OAQYLSRUSA-N 407.514 2.891 0 50 HFAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356146508 JGDTXWAEKVQQGX-HXUWFJFHSA-N 401.898 2.575 0 50 HFAA Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1 1196540 NKHFFJNTSKMUAN-UHFFFAOYSA-N 417.512 2.878 0 50 HFAA CCCCS(=O)(=O)C[C@@H](COC(=O)c1ccc(C)cc1)S(=O)(=O)CCCC 5102288 XEWDPZQZXORALP-GOSISDBHSA-N 418.577 2.950 0 50 HFAA CC[C@H]1CN(CC(=O)N[C@@H](C)c2c(C)nn(C)c2C)Cc2cc(OC)ccc2O1 11978421 DNJOURFBRUEJCY-KSSFIOAISA-N 400.523 2.896 0 50 HFAA Cc1c(C(=O)N(C)C2CCN(C)CC2)sc2ncnc(NC[C@H]3CCCO3)c12 12079877 JLMGUCMMNQEZOL-OAHLLOKOSA-N 403.552 2.757 0 50 HFAA CN(CCC1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 12092370 CVDFPDBWJMDWRC-OAQYLSRUSA-N 408.608 2.724 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 12718590 OQAVXYOBJZIRSV-SFHVURJKSA-N 415.490 2.740 0 50 HFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 14745419 RPHXGEWPZXPHOU-FQEVSTJZSA-N 410.562 2.881 0 50 HFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(Cc3cccc4ncccc34)C[C@H]12 14752256 NHRCXUJWDSGWKN-FCHUYYIVSA-N 406.530 2.716 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 22852923 WKGLPHKYIXGYTP-QHCPKHFHSA-N 415.553 2.835 0 50 HFAA CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CNC(N)=O 82166736 YRDJAMHWCOJOPU-FQEVSTJZSA-N 408.502 2.756 0 50 HFAA O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101317996 WFMOHGIYKDRBIU-BIRZXAFVSA-N 400.478 2.721 0 50 HFAA Cc1cc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)ccc1Br 101352314 RVMLTSLLIFBBAM-XEZPLFJOSA-N 415.353 2.828 0 50 HFAA O=C(N[C@H](CO)Cc1ccccc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 252478097 ADGCGQMXNJKKBS-CBNMVNINSA-N 419.525 2.923 0 50 HFAA C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)C[C@@H](C)O1 252517344 GISHIEGMJYIICV-BPBNPONYSA-N 404.532 2.715 0 50 HFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CN1Cc2ccccc2C1=O 409414282 KBJJUMVTEAILRL-RBBKRZOGSA-N 413.562 2.772 0 50 HFAA biogenic COc1nc2c(cc1C(=O)N1CCC[C@@H](c3cc[nH]n3)C1)C(=O)N(C1CCCC1)C2 426707290 WSNJRZLWOQSBAU-CQSZACIVSA-N 409.490 2.732 0 50 HFAA Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H]3CN(c4ccccc4)C3=O)CCCC2)cc1 468186680 NUULUUFNOKIJTI-IBGZPJMESA-N 412.511 2.613 0 50 HFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc3ccccc23)CC1 823117543 KUDDZKLWEVKCIL-GOSISDBHSA-N 403.486 2.951 0 50 HFAA Nc1ncc(C(=O)N2CCC(CNC(=O)c3cc4cc(F)ccc4[nH]3)CC2)s1 952861092 CTDPWFWPVZQIAO-UHFFFAOYSA-N 401.467 2.628 0 50 HFAA Cc1cc(C)c2oc(N3CCNC(=O)CCN(C(=O)c4c(C)ccn4C)CC3)nc2c1 952880401 NYGRGQAYHCYEBO-UHFFFAOYSA-N 423.517 2.560 0 50 HFAA CCCc1nc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cs1 1529126861 SZHWOZYYPOIYEL-IEBWSBKVSA-N 406.504 2.687 0 50 HFAA COc1cc(CC(=O)N2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)cc(OC)c1OC 1772703936 GZBQLDUKPMDNNQ-CJFMBICVSA-N 424.541 2.936 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccncc4F)C[C@]3(CCC(=O)O)C2)c(C)o1 1772809994 BSWNHULFBKGGBY-YCRPNKLZSA-N 401.438 2.874 0 50 HFAA O=C(COC[C@H]1CCCO1)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2 1857694040 XTTMODKCQCITRT-MKKLKVPQSA-N 424.900 2.642 0 50 HFAA Cc1nnc(CN2C[C@@H]3[C@H](CNC(=O)c4ccc(Cl)s4)[C@H]4CC[C@]3(C2)O4)o1 1857735862 CRGYJHXATNIGSR-NVAPZFDKSA-N 408.911 2.502 0 50 HFAA C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(-c4cccc(C(=O)O)n4)nn3)cc2)C1 1875326335 GXMBVKFKQAZCCA-HNNXBMFYSA-N 405.458 2.959 0 50 HFAA NC(=O)c1ccn(-c2cccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)c2)n1 2325728748 BCMBRGMBKAQRMM-UHFFFAOYSA-N 405.389 2.947 0 50 HFAA CCn1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c(C2CC2)n1 2325842460 ZLNGWOUSEWKLIV-UHFFFAOYSA-N 401.496 2.680 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C2)c2cccc(=O)n21 2356157917 RXVPDDORMOLQKO-QKLQHJQFSA-N 418.497 2.928 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H]4CCCN4C)C3)c3cccc(=O)n32)c1 2356159584 HZJXRMAGXLLRHE-FUKQBSRTSA-N 421.541 2.681 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1 2871570 KWIXXPUDIJMHLM-UHFFFAOYSA-N 410.879 2.512 0 50 HFAA COCCNC(=O)c1c(Cc2ccccc2C)n(Cc2ccccn2)c(C)cc1=O 12148854 MNJREJVFHKERSP-UHFFFAOYSA-N 405.498 2.875 0 50 HFAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)s1 12570576 AYTSAAIEWRLQGF-CYBMUJFWSA-N 405.501 2.789 0 50 HFAA CC(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 14742126 LILAGOIKUOKVBM-VABKMULXSA-N 421.541 2.584 0 50 HFAA O=C(NCc1ccccc1-n1cncn1)c1coc(CN2CCc3ccccc3C2)n1 15073774 FMNVVISCSSXSBC-UHFFFAOYSA-N 414.469 2.744 0 50 HFAA COc1cccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 19565297 CDCMLGZMFAHFNP-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CC(C)c1nc(CNCc2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)cs1 19792405 SABYDQWOHQPPMU-FQEVSTJZSA-N 418.607 2.543 0 50 HFAA Cn1cccc1C(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82109261 BKVIGGXCQBJBFQ-NRFANRHFSA-N 422.573 2.701 0 50 HFAA COCC(C)(C)NC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91382196 DSIDNXFBGJUNJJ-NRFANRHFSA-N 413.606 2.871 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccc(=O)[nH]c1 95503809 FWYVMFRZQRPWMK-UHFFFAOYSA-N 401.482 2.515 0 50 HFAA CC1(C)SC[C@@H](C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)NC1=O 97495469 BGEIBXXJXWRADE-SFHVURJKSA-N 401.507 2.802 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccccc1 136831332 AETXDEKUQJECHY-QNFHRHJVSA-N 407.857 2.771 0 50 HFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)n1 169777481 WGGPDZCDBUPZHI-UHFFFAOYSA-N 414.441 2.833 0 50 HFAA Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)nc2OC2CCC2)cc1 170595620 PUNPFROPYUNLGH-UHFFFAOYSA-N 423.922 2.683 0 50 HFAA O=C(COC(=O)c1cnn(CCO)c1-c1ccccc1)Nc1ccc(F)c(F)c1 170616562 LRKMNFUPYQQUAF-UHFFFAOYSA-N 401.369 2.616 0 50 HFAA Cc1cncn1C1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 225400067 DHGFZHXIBKXDCP-UFYCRDLUSA-N 412.534 2.721 0 50 HFAA CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)nc1)c1cccc(F)c1 225832793 QHXCJVMKMBIUGZ-CQSZACIVSA-N 402.289 2.564 0 50 HFAA N[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 244595017 DMXWRNSWEQLEGV-ZLNRFVROSA-N 412.622 2.792 0 50 HFAA CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O 252428038 OOXIMMFKYHJNKC-LMMKCTJWSA-N 410.813 2.923 0 50 HFAA Cc1ccn2ncc(C(=O)N[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)OCc3ccccc3)c2n1 252518004 XAHNTFYQCUYHPW-XEYPJELSSA-N 404.470 2.926 0 50 HFAA COC(=O)C1=C(C(=O)OC)[C@H]2C(=Cc3ccc(OC)cc3)[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3C1 257358782 WJFAYOLPMUTRGB-DKZZXVQFSA-N 408.450 2.919 0 50 HFAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@@H](CC(N)=O)c2cc(F)c(F)c(F)c2)cc1 263587408 GPJDEKGIWUBNAU-ZDUSSCGKSA-N 405.376 2.727 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408516989 ICHGRHUBHYANMX-FQUUOJAGSA-N 412.412 2.595 0 50 HFAA COCCc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccon3)s2)n1 824462308 FDDYBOGOHWKAIE-ZDUSSCGKSA-N 424.504 2.891 0 50 HFAA Cc1ccc(C(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)cc1N1CCNC1=O 1772712884 TVBLAGPKDAEGNL-BWKNWUBXSA-N 418.541 2.819 0 50 HFAA COc1ccc(-n2nc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)cc2-c2ccccc2)cc1 1857672258 FKJGKAXZBVZWOW-OXJNMPFZSA-N 402.454 2.508 0 50 HFAA Cc1c(C(=O)N2CC[C@@H](O)[C@H](C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1 1940198255 ZESUBNKGHQZLNS-RTBURBONSA-N 405.454 2.755 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(I)cc1 637073 LTCUULFHKSPHAJ-UHFFFAOYSA-N 420.206 2.916 0 50 HFAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 842606 YTSWBHAAOASGBG-MRXNPFEDSA-N 416.430 2.616 0 50 HFAA CCOC(=O)[C@H]1C(=O)N(C(=O)c2cncc(Br)c2)C[C@@H]1c1ccccc1 849702 XGAWPSQQLXFFLT-HZPDHXFCSA-N 417.259 2.790 0 50 HFAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 2848085 JIOZVKMUYPXJPZ-UHFFFAOYSA-N 412.467 2.886 0 50 HFAA CN(CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20535067 WHNIZZMVEDWOSF-NRFANRHFSA-N 417.575 2.920 0 50 HFAA Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 44606444 JVWFOOREECQGOE-UHFFFAOYSA-N 419.341 2.999 0 50 HFAA CCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c3cc(C)ccc3n2)cn1 63856222 SLXDNSILIOBRLM-OAHLLOKOSA-N 403.486 2.865 0 50 HFAA O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 65365903 JJVNHJLQWPQMJX-UHFFFAOYSA-N 410.499 2.587 0 50 HFAA COc1ccc(-c2cn3cc(C(=O)NCC(F)F)nc3c(=O)n2CC2CC2)cc1 72470573 UBAWSMKDHSXIJT-UHFFFAOYSA-N 402.401 2.577 0 50 HFAA COc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3N3CCOCC3)C2=O)c(OC)c1 100790848 ZZNPFABBMANWPH-DLBZAZTESA-N 400.475 2.600 0 50 HFAA CCCOc1ccc(CNC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760128 GFTGGCIYGSEEAL-UHFFFAOYSA-N 408.502 2.870 0 50 HFAA COc1ccc(C(=O)N2CCC[C@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC2)cc1 225468877 GMBJEBQTWRKLKB-SFHVURJKSA-N 404.507 2.880 0 50 HFAA COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1NC(=O)c1cccnc1 252486319 IIXPPTXFDAMZBZ-MBZVMHRFSA-N 407.426 2.804 0 50 HFAA COc1ccc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 252535650 GNNJQVZTHXXKLB-LJQANCHMSA-N 406.442 2.873 0 50 HFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)sc21 426497334 XRJJQLZLXDGQNV-OAHLLOKOSA-N 402.398 2.758 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCSC3(CCOCC3)C2)(c2ccccc2)CC1 1296647719 OYNVWVRUUNFKKA-UHFFFAOYSA-N 414.571 2.857 0 50 HFAA Cc1cc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nc(-c2ccccc2O)n1 1529196463 ZXTNUVGROMJLPN-KRWDZBQOSA-N 409.534 2.727 0 50 HFAA CCc1ccc(CN2C[C@@H]3CN(S(=O)(=O)CC4CCCC4)C[C@@]3(CO)C2)s1 1772816516 OSMPHDYPLFQVFQ-YLJYHZDGSA-N 412.621 2.557 0 50 HFAA COc1ccc([C@@H](NC(=O)c2cnc3cnccc3c2)C(=O)O)cc1Br 2325877125 JXFDKYFFSRQLHN-MRXNPFEDSA-N 416.231 2.957 0 50 HFAA Cn1[nH]c(CN2CCN(C3=Nc4ccccc4Oc4ccc(Cl)cc43)CC2)nc1=O 2325901398 CJBAANHVBNVUHA-UHFFFAOYSA-N 424.892 2.764 0 50 HFAA COC(=O)[C@@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1cccc(C)c1 2356154355 RWSAANYVHMHUJD-IBGZPJMESA-N 414.527 2.852 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1C 1071788 WLNOOXXFNGNION-UHFFFAOYSA-N 402.516 2.817 0 50 HFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)n1 2888678 YKENPPTUXYFWCQ-UHFFFAOYSA-N 421.548 2.753 0 50 HFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)c1 11859242 ZVFKOTDNFKCGQE-TXPKVOOTSA-N 424.375 2.808 0 50 HFAA COC[C@@H](O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12612149 UEOHAANVNZUNAY-KRWDZBQOSA-N 410.942 2.863 0 50 HFAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 14541994 JVLQLTRHBDMOST-UHFFFAOYSA-N 403.486 2.992 0 50 HFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NC1Cc3ccccc3C1)CC2 14751074 OJLCHBVFDFMXPC-SFHVURJKSA-N 404.514 2.900 0 50 HFAA COc1ccc(NC(=O)CC[C@H]2CN(C(C)C)CC[C@H]2N2CCOCC2)cc1OC 14991774 OJSGEXZDAVKWIG-AZUAARDMSA-N 419.566 2.854 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](COC)C3)cc2)CC1 15076776 VWGBSWAVQGFRBE-GOSISDBHSA-N 418.534 2.592 0 50 HFAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2ccccc2)cc1OC 20614211 QCXCUXKUNBTFJV-UHFFFAOYSA-N 415.515 2.871 0 50 HFAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)C3CCCCC3)cc2OC)CC1 22852817 RZRKBMIFXBIMFR-JOCHJYFZSA-N 419.610 2.837 0 50 HFAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 35800920 LRMVHVDICYIPOD-OAHLLOKOSA-N 419.831 2.621 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101317991 WFMOHGIYKDRBIU-KNOXWWKRSA-N 400.478 2.721 0 50 HFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 170593261 QYVZNUQEOWGAQH-UGKGYDQZSA-N 423.561 2.562 0 50 HFAA CCCCS(=O)(=O)N1CCC(C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)CC1 170611698 WCNBIQOMNNLGFQ-GCJKJVERSA-N 424.607 2.574 0 50 HFAA COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(C)c1 263616605 JRLBIODKFYJDQZ-UHFFFAOYSA-N 405.502 2.888 0 50 HFAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(OCC(=O)N2CCCCC2)cc1 670473508 OJBTYEMZDWLWEF-UHFFFAOYSA-N 410.518 3.000 0 50 HFAA O=C(c1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 952965371 OYYLOROJHMTXJZ-HNNXBMFYSA-N 402.472 2.527 0 50 HFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 952977862 DFNAGBLRGHTWFK-UHFFFAOYSA-N 422.441 2.778 0 50 HFAA Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cccc5c4CCC5=O)C[C@@]3(CO)C2)s1 1772817688 VACBXWWMYIOVJQ-WAIKUNEKSA-N 410.539 2.752 0 50 HFAA Cc1cccc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccc3nccnc3c2)c1 1857703452 QCVKDWVPZPOSCR-VXKWHMMOSA-N 400.482 2.996 0 50 HFAA NC(=O)[C@H]1CCCN(c2ccccc2CNC(=S)N[C@@H]2CCc3ccccc3C2)C1 1875264450 JFCVCMYUMOPPRN-LEWJYISDSA-N 422.598 2.910 0 50 HFAA O=C(C[C@@H]1Cc2ccc(Br)cc2C1)N[C@H](Cc1ccncc1)C(=O)O 2325877250 NDYHWOVKVLXBJU-CXAGYDPISA-N 403.276 2.761 0 50 HFAA CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 629179 XQDDBLYRQXQRPH-UHFFFAOYSA-N 409.877 2.761 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccccc1F 821481 XLHXJBPXRBXXTI-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA O=C(NC1(C(=O)O)CCS(=O)(=O)CC1)OCC1c2ccccc2-c2ccccc21 1081452 BZCDXKNKTDBVSF-UHFFFAOYSA-N 415.467 2.557 0 50 HFAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 1422486 OJZQMTWBXHWRFR-HXUWFJFHSA-N 420.425 2.636 0 50 HFAA CCNC(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccc(OC)cc2)C3=O)CC1 12243304 MHCCUWNCKLRDRU-UHFFFAOYSA-N 421.497 2.844 0 50 HFAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)CC1 12458660 IZMQMUZKAWKERJ-FGTMMUONSA-N 418.559 2.822 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)cc4)ccn3n2)c1 169777090 YRUSTJMTFNVWHH-UHFFFAOYSA-N 402.454 2.910 0 50 HFAA COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1F 169778656 PILNKWZMDYCPMA-CYBMUJFWSA-N 400.414 2.686 0 50 HFAA CCOc1ccccc1-c1noc(CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)n1 170598086 LBHJDXRCGCWEHL-IBGZPJMESA-N 413.430 2.853 0 50 HFAA O=C(CNC(=O)NCC1CCCC1)NCc1noc(-c2ccc(Cl)cc2F)n1 225428011 TVUHYIPJTVNRGQ-UHFFFAOYSA-N 409.849 2.635 0 50 HFAA Cc1ccc(NC(=O)CN2CCS[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C 230172537 NKJCUTHRRPOFAJ-IAGOWNOFSA-N 411.593 2.544 0 50 HFAA Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 253387496 ZHUIUFXUGYVAPI-JOZSIVFUSA-N 422.525 2.974 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NCCc4cnn(C)c4)csc3C2)nc1 426550079 SOECJMHHPGSLBF-UHFFFAOYSA-N 409.559 2.970 0 50 HFAA CCN1C(=O)C[C@H](Sc2ccccc2C(=O)NCCCn2nc(C)cc2C)C1=O 670452528 RSOVPUSVZJNTGU-SFHVURJKSA-N 414.531 2.560 0 50 HFAA O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccc(Cl)cc1 813481255 CFTFFUJANWZTBZ-HOCLYGCPSA-N 403.784 2.948 0 50 HFAA CSCC[C@H](C(=O)NCCc1nc(C)cs1)n1c(O)nc2ccccc2c1=O 888088966 ZZDBYNXISPHRPN-OAHLLOKOSA-N 418.544 2.520 0 50 HFAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1529155622 WPYFPJMFBOYFIL-MRXNPFEDSA-N 423.535 2.787 0 50 HFAA Cc1ccccc1CC(=O)N1C[C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CC[C@@H]21 1800411997 SXVUIVXMFKGZMC-CVDCTZTESA-N 420.557 2.832 0 50 HFAA O=C(c1cnc[nH]1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN([C@H]2CCc3ccccc3C2)CCO1 1857695392 HXSBYUJGBOTRGU-VMIIQTFKSA-N 406.530 2.805 0 50 HFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 1857738152 TVNLUQUELPGAOI-OAHLLOKOSA-N 419.551 2.889 0 50 HFAA CCCn1cnc(NC(=O)[C@@H]2CC(=O)N(c3nc4ccc(OCC)cc4s3)C2)n1 1940197837 WAKVRAHXGXWMKI-GFCCVEGCSA-N 414.491 2.688 0 50 HFAA O=C(Nc1ccccn1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 1116154 PAWRFKGWAWOQHL-UHFFFAOYSA-N 410.293 2.881 0 50 HFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1 2942898 YCPSOFLUPASGGF-UHFFFAOYSA-N 405.454 2.938 0 50 HFAA COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCC(=O)NC(C)(C)C 5447778 JRLDOIFFCNLULS-UHFFFAOYSA-N 413.931 2.948 0 50 HFAA COc1c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc(Cl)c1Cl 8397809 YAGBGAUKKGRASD-UHFFFAOYSA-N 419.286 2.742 0 50 HFAA COc1ccc2cc(CNCCc3nnc(C)[nH]3)c(=O)n(Cc3ccccc3F)c2c1 12245620 LJWGEFUTWBYZQR-UHFFFAOYSA-N 421.476 2.956 0 50 HFAA Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)c(C)c1C 12517975 VNIGAUAAKLUVLU-UHFFFAOYSA-N 414.469 2.736 0 50 HFAA COc1cccc(C(=O)NCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 12865951 WENXQWNPAJJABL-UHFFFAOYSA-N 401.894 2.817 0 50 HFAA COc1ccc(CNCC2(N(C)C)CCCCC2)cc1OC[C@@H](O)CN1CCCC1 32503426 ZNLFPZJXWUYCOA-NRFANRHFSA-N 419.610 2.885 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)Cn2cncn2)C1)Nc1ccc(C(F)(F)F)cc1 39510162 WIOMKEYVDZSYFU-AWEZNQCLSA-N 409.412 2.954 0 50 HFAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 169775871 CJSCMWSRYSGGJV-UHFFFAOYSA-N 418.453 2.610 0 50 HFAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cc(-c2ccccc2)n[nH]1 206247318 CJCKHGATFDSVOG-LJQANCHMSA-N 401.426 2.886 0 50 HFAA COc1ccccc1CC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NCC(C)C)nn2)CC1 248254503 UECPSWYYDSMZOD-HDICACEKSA-N 413.522 2.515 0 50 HFAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952964274 YIEGPYWUXKXUKL-CYBMUJFWSA-N 419.503 2.904 0 50 HFAA CCc1cccc(NC(=O)CCC(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)c1 1704303981 JWLXTQQLUVAUKP-QHCPKHFHSA-N 407.518 2.847 0 50 HFAA O=C(O)CN1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)NCc1ccc2nc[nH]c2c1 1704340043 DSHIGSILGFAYIL-ZHRMCQFGSA-N 418.497 2.730 0 50 HFAA Cc1noc(C)c1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857670378 LCPILUQJHOBRRY-QFIPXVFZSA-N 405.458 2.969 0 50 HFAA Cc1ccn(CCC(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857670828 DSQWLGKRDOTLJP-HSZRJFAPSA-N 418.501 2.646 0 50 HFAA O=C(NCc1cscn1)[C@@]12CCCCN1C[C@@H](Nc1ncnc3ccccc13)C2 1857685428 IXVVWKRXBYRLCN-BTYIYWSLSA-N 408.531 2.812 0 50 HFAA C[C@H](O)CNC(=O)c1cc2c(s1)CCOC21CCN(Cc2ccccc2)CC1 1857686522 ZZXSFGBGLXXHGU-INIZCTEOSA-N 400.544 2.923 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]1c1cnn(C)c1 1857718522 XWGJMZJTTUQLFQ-LPHOPBHVSA-N 401.898 2.699 0 50 HFAA C[C@H]1CN(C(=O)Nc2cccc3c2CN(C)C3=O)CCN1C[C@H](O)c1ccccc1 1875309151 UMSLDJYRZZQPGI-KKSFZXQISA-N 408.502 2.544 0 50 HFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 2325819880 STTNQQQIOFNPPN-HOCLYGCPSA-N 404.463 2.549 0 50 HFAA O=C(c1occc1-c1ccccc1)N1CCN(C(=O)[C@@H]2CC[C@]3(CCOC3)O2)CC1 2325827430 FTMVDMYXYDWLHN-WMZHIEFXSA-N 410.470 2.569 0 50 HFAA COc1ccccc1CN1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCOCC1 2356145008 WWIVVBLDAODHKK-RVFVQDDPSA-N 408.542 2.604 0 50 HFAA Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 627611 OVOCIOFFXQZETL-UHFFFAOYSA-N 401.440 2.684 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(I)cc1 1141674 CNJBQVCXZLLAMI-LBPRGKRZSA-N 402.257 2.647 0 50 HFAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nn1 11764242 RNCQCZILTAGYPG-MRXNPFEDSA-N 412.519 2.734 0 50 HFAA CC[C@@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 12210741 GBFTYYBQUVQCRQ-KDOFPFPSSA-N 415.511 2.792 0 50 HFAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2 12213471 KZFFMHZOOIZVMS-INIZCTEOSA-N 411.531 2.654 0 50 HFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CN2CCOC2=O)CC1 12702313 VQICBQQLIZPWAB-UHFFFAOYSA-N 402.491 2.633 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1N1CCNC1=O 15064495 DWOPVNRQOUCJPW-DEOSSOPVSA-N 407.514 2.982 0 50 HFAA CN(Cc1c(Br)cnn1C)C(=O)c1cc(C2CC2)nc2c1cnn2C 20606968 SKBZONBGLSJBBQ-UHFFFAOYSA-N 403.284 2.614 0 50 HFAA CC(C)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77519983 CFKRDLIDXBYTRT-UHFFFAOYSA-N 402.516 2.585 0 50 HFAA CCCn1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 170613245 BLXAKWGNQJXEKI-UHFFFAOYSA-N 403.426 2.669 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 239274724 APSXPQQQDGLTLX-IUIKQTSFSA-N 404.850 2.708 0 50 HFAA CCCCN(C)C[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 242273512 YDHFYGCTNRIZIG-DNVCBOLYSA-N 402.564 2.920 0 50 HFAA O=C(c1ccoc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2)CC1 299795124 LDVSOHAJDNXXQN-OAQYLSRUSA-N 407.514 2.866 0 50 HFAA CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1)S(=O)(=O)c1ccccc1 914778017 MJQREQUIYSUPOG-UHFFFAOYSA-N 421.482 2.680 0 50 HFAA COc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 5681468 BXFRUAANHHXMAB-UHFFFAOYSA-N 413.381 2.705 0 50 HFAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)CCNC(C)=O)cc1 11773425 KNBILJWRHGACDZ-NRFANRHFSA-N 409.486 2.818 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1)[C@H]1CCOC1 11843321 CMXIOEAJCSGNKC-ZDUSSCGKSA-N 413.503 2.878 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 12385431 PUFFGKBVTUWHQR-UHFFFAOYSA-N 408.546 2.692 0 50 HFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 14539863 ZVWFTCKVKUYCSZ-LEWJYISDSA-N 422.916 2.575 0 50 HFAA CN(Cc1ccsc1)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 14989490 KKIMEZUIXXKVJX-UHFFFAOYSA-N 411.483 2.727 0 50 HFAA COc1ccc(F)c(C[C@]2(CCC(=O)N[C@H](C)Cc3ccccn3)CCC(=O)N2)c1 14997069 VVMABUIYHCFNAQ-MWTRTKDXSA-N 413.493 2.948 0 50 HFAA O=C(O)CSCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 17090154 LBMVIDVIVOBTBQ-UHFFFAOYSA-N 414.892 2.897 0 50 HFAA CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3cccc4ccccc34)n2)CC1 20101078 LKTGSZRHTLQTOK-UHFFFAOYSA-N 407.478 2.625 0 50 HFAA O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCC1 20745840 GXLRZKYWQXIVOS-UHFFFAOYSA-N 410.518 2.635 0 50 HFAA CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1 169772930 STBVYJQFFQUDRT-JTQLQIEISA-N 402.455 2.744 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3csnn3)o2)c1 241930293 UHKJTSLXIDAUNO-UHFFFAOYSA-N 411.534 2.911 0 50 HFAA COc1ccc(C=c2sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1OC 254398867 PSSRORUDILOMQR-UHFFFAOYSA-N 420.490 2.580 0 50 HFAA CCC[C@]1(C2CCN([C@H]3CCSC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299786937 UQBYJXLKFMZZMR-SIKLNZKXSA-N 416.591 2.932 0 50 HFAA CNC(=O)c1ccc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cn1 490163013 YTZAYESUFSIJMB-UHFFFAOYSA-N 424.549 2.828 0 50 HFAA COc1ccccc1-c1ncc(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)s1 824834844 ZOCKNHRSXDASMY-INIZCTEOSA-N 422.510 2.879 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CSc2nnc(C)s2)C3)cc1 1506400749 FYAIWMXTFPASMG-UHFFFAOYSA-N 413.528 2.870 0 50 HFAA O=C(C1CCN(CCO)CC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704327917 JONXAQLCPKQHFW-RUZDIDTESA-N 420.557 2.654 0 50 HFAA CN(CC(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1)Cc1ccc(F)cc1 1704339167 FJDORBGWNMBVAK-HSZRJFAPSA-N 411.525 2.620 0 50 HFAA Cc1nc2cccc(-c3noc([C@H]4CCCN(S(=O)(=O)c5cccnc5)C4)n3)c2[nH]1 1875254017 GQJZIYNHYDBJAY-AWEZNQCLSA-N 424.486 2.885 0 50 HFAA Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)N1CCCC[C@H]1c1cnn(C)c1 1875308400 DKHCWSICCUHLNB-AWEZNQCLSA-N 405.446 2.712 0 50 HFAA COC(=O)CCCCC(=O)N1CC=C[C@@H]1CNC(=O)c1cc2cc(F)cc(F)c2[nH]1 2325872307 RDHHCSPOHVDBGP-OAHLLOKOSA-N 419.428 2.676 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1Cl 814598 VUMCXRQAVPQAAZ-UHFFFAOYSA-N 412.895 2.659 0 50 HFAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)ccc1Br 1063160 XGKHYQWUOUMURI-UHFFFAOYSA-N 419.326 2.583 0 50 HFAA COC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)C(F)(F)F 2869012 WXEHSRBDWDFISD-KRWDZBQOSA-N 412.389 2.736 0 50 HFAA COc1cccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)c1 2878173 JCOBUVZMWUMYAN-HNNXBMFYSA-N 413.904 2.855 0 50 HFAA CS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCCCc4ccccc43)ccc21 4788911 FDLIEUGCWULSND-UHFFFAOYSA-N 420.556 2.930 0 50 HFAA COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 9063746 PRYIJXRBXIBSII-UHFFFAOYSA-N 418.515 2.808 0 50 HFAA COc1ccc(CCNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1OC 10327260 SRZWTKCBFQBIHI-UHFFFAOYSA-N 413.499 2.625 0 50 HFAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCCN1CCOCC1)CCC2 16183827 OXSNLNIQBIYXOD-UHFFFAOYSA-N 413.543 2.860 0 50 HFAA CN1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)CC1 55201816 AGANEUWSIOEIQP-UHFFFAOYSA-N 415.419 2.901 0 50 HFAA O=C(CCCOc1cccc2ccccc12)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 170591858 FRXXYFMJJDTDCA-XMSQKQJNSA-N 417.527 2.851 0 50 HFAA COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1=O 225610378 HOQUGNUAMBFEBB-CZUORRHYSA-N 420.868 2.999 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(CCc2c[nH]c3ccccc23)c2ncc(N)cc12 299786172 WEEJRSFJFBCVSB-UHFFFAOYSA-N 421.457 2.714 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 328606429 RNHXFYPVUGECEU-SFHVURJKSA-N 407.518 2.523 0 50 HFAA CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCCS1)C(=O)[C@@H]1CCCS1 408518050 SJHAVQJMVTWJOL-ZWKOTPCHSA-N 413.653 2.551 0 50 HFAA COc1ccccc1-c1ccnc(C2CCN(C(=O)NC[C@]3(C)CCC(=O)N3)CC2)n1 952892229 FWIIIIWOQFVIBR-QHCPKHFHSA-N 423.517 2.710 0 50 HFAA CC(C)(C)N1C[C@H](C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)CC1=O 1857723945 DNUPHOUIMDUOTN-OAHLLOKOSA-N 412.534 2.513 0 50 HFAA COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(Br)cc3)C2=O)n1 1875317758 CUVCGQOCCAOBLJ-HNNXBMFYSA-N 404.264 2.778 0 50 HFAA COc1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)cc1C 2325870292 RHGBFPHOHXVLGU-UHFFFAOYSA-N 401.488 2.911 0 50 HFAA Cc1ccc(CN(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1 1093257 MANQBURMWWIWMQ-UHFFFAOYSA-N 409.511 2.897 0 50 HFAA CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 4828661 QEHYFNIBTLMWGY-UHFFFAOYSA-N 420.487 2.569 0 50 HFAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 11662486 JPMJLADCKWIWEY-UHFFFAOYSA-N 413.606 2.779 0 50 HFAA CSc1cccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1 12583753 JDTSIAFUXJUJJE-GOSISDBHSA-N 417.575 2.618 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCCC[C@H]3CCN3CCOCC3)n2)cc1 12713786 SDEWYLQFUJWZEI-IBGZPJMESA-N 414.506 2.600 0 50 HFAA COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)CN(C)C(C)C 15064814 LQJXCSLYPLQOIZ-IBGZPJMESA-N 404.555 2.747 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCCCC1=O 15077247 QPRAECNJNMVHRZ-HXUWFJFHSA-N 403.542 2.941 0 50 HFAA COc1cc(CN2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)cc(OC)c1 20452086 GXQGVOXPEDOAAZ-IBGZPJMESA-N 414.502 2.501 0 50 HFAA Cc1sc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(N)=O)c1-c1ccccc1 138900196 UBZWMQUOTQZPBN-QHSBEEBCSA-N 400.456 2.639 0 50 HFAA Cc1nc(CN2CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)no1 225523023 METZVRADGWBWGH-UHFFFAOYSA-N 417.666 2.891 0 50 HFAA O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CN(Cc2ccccc2)CCCO1 225827354 ZDWAIQFVARNWRI-YADARESESA-N 421.497 2.507 0 50 HFAA C[C@@H]1[C@@H](N2C[C@H](C(=O)Nc3nc(CN4CCOCC4)cs3)CC2=O)CCC[C@H]1C 248157013 MKDXWESLXHPYJI-HPFXQQBRSA-N 420.579 2.587 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(NC(C)=O)cc4)c3CO2)cc1 263616842 KVEZMRQJPSIIKA-IBGZPJMESA-N 407.430 2.769 0 50 HFAA Cc1cc(-c2noc(CCC(=O)N3C[C@H](C)OC4(CCOCC4)C3)n2)ccc1F 468487089 HCDNWNFKLLXFEH-HNNXBMFYSA-N 403.454 2.913 0 50 HFAA CCOc1cc2c(cc1CNS(=O)(=O)c1c(OC)cccc1OC)O[C@H](C)C2 475561837 AUVMWKXGYDFVEJ-CYBMUJFWSA-N 407.488 2.904 0 50 HFAA Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2cc(C(N)=O)co2)c2ccccc2)cc1 490543269 ZTAVRNIDEGIZPA-FQEVSTJZSA-N 405.454 2.865 0 50 HFAA COc1ccc([C@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC 1506395182 DAZLKGKYDWXLCA-HXUWFJFHSA-N 406.429 2.926 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC([C@H](O)c3cccs3)CC2)CC1 1506427038 JZAKLBGRFHNLFO-FQEVSTJZSA-N 413.543 2.968 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc(C)c(F)c2)cc1OC 1529099506 ZETDRTFHSIMXAR-IFMALSPDSA-N 403.450 2.655 0 50 HFAA Cn1nccc1C(=O)NC[C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 1857694404 AOFSBUZIHAXFQT-AEFFLSMTSA-N 407.518 2.939 0 50 HFAA COc1ccnc(C(=O)N2CCC[C@]3(C2)CN(c2nc(C)c(C)s2)CC[C@H]3O)c1 1857702753 BRLPSOYCGIIQQH-NQIIRXRSSA-N 416.547 2.657 0 50 HFAA COc1cccc(OCc2cn(Cc3ncoc3CNC(=O)[C@H](C)C(C)C)nn2)c1 2325863584 PAXPGQDRRGXNMF-OAHLLOKOSA-N 413.478 2.810 0 50 HFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1c(C)nc3sccn13)CC2 2325876194 MNYSKZIXGXCKTJ-CQSZACIVSA-N 415.471 2.936 0 50 HFAA C[C@](O)([C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O)C(F)(F)F 2325877454 RKLSTVUTXOWUQG-WFASDCNBSA-N 422.812 2.889 0 50 HFAA CCc1sc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br 1054739 HOLZKPQNGDBMMT-UHFFFAOYSA-N 403.323 2.650 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCC2 4749138 BAUQELIGAWYSBS-UHFFFAOYSA-N 406.529 2.900 0 50 HFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 4877548 YNEVDAHDPGZONZ-ZIAGYGMSSA-N 409.489 2.773 0 50 HFAA COc1ccc(CNCc2cnn(C)c2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12073222 PKKFYQODLKKHHA-NRFANRHFSA-N 416.566 2.724 0 50 HFAA CC(=O)c1ccc(OCC(=O)NC[C@H]2Cc3cccc(-c4ncccn4)c3O2)cc1 12157695 WKWZQSQBKLXKBT-LJQANCHMSA-N 403.438 2.845 0 50 HFAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 12158482 YXAWNALQSURKRS-ZHRRBRCNSA-N 404.482 2.650 0 50 HFAA COCCNC(=O)c1sc2ncnc(NC[C@@H]3COc4ccccc4O3)c2c1C 12244497 DBSZSPGYWQCUJN-CYBMUJFWSA-N 414.487 2.628 0 50 HFAA O=C(CCC1CCN(S(=O)(=O)c2cccnc2)CC1)NCc1ccc(F)cc1 12307531 HLNGLDGRHOPWKG-UHFFFAOYSA-N 405.495 2.718 0 50 HFAA CC1(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)CCCCC1 12585436 TWDBPQCJPHIOJM-UHFFFAOYSA-N 405.583 2.519 0 50 HFAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccccc2OC)C1 12752910 BLEACFHHSBKHCD-CYBMUJFWSA-N 423.512 2.827 0 50 HFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 16889987 AZCNJEFLSOQGST-DVQSZNCRSA-N 404.503 2.641 0 50 HFAA COCCN1CCN(Cc2nc(NC[C@@H]3CCCO3)c3ccc(Cl)cc3n2)CC1 20907612 LLUVOFOCHITQKB-KRWDZBQOSA-N 419.957 2.638 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)n1 49548507 QBCHTSMNBPSXFK-UHFFFAOYSA-N 410.405 2.655 0 50 HFAA CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@@H]1O 72442131 SBNAYFUCWOBHDX-ROUUACIJSA-N 414.955 2.503 0 50 HFAA Cc1noc(C)c1CNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82091611 YLLSXQFATPTLSK-FQEVSTJZSA-N 411.550 2.679 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 82108215 NZRHQAJWFJNMBC-FQEVSTJZSA-N 412.578 2.981 0 50 HFAA CC(C)c1nc(-c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2)n[nH]1 409413300 JRMVNAUBIRBDNO-QGZVFWFLSA-N 418.457 2.674 0 50 HFAA COc1ccc([C@@H](CC(=O)Nc2cc(C)nn2C2CCN(C)CC2)NC(C)=O)cc1 430455899 MSZZSXIKOMRYGH-HXUWFJFHSA-N 413.522 2.673 0 50 HFAA CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 913022960 KTJDAGOAEHTVQZ-UHFFFAOYSA-N 422.406 2.604 0 50 HFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1 952962239 CSOVGDOJBQARIZ-UHFFFAOYSA-N 406.958 2.931 0 50 HFAA COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C(=O)CC[C@@H]2NC(=O)NC2=O)cc1 952991745 UYVNDJKQHAGHTJ-VQTJNVASSA-N 411.502 2.697 0 50 HFAA Cc1cn(-c2ccccc2)nc1NC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1318301276 DXMGGGDDVYJXJN-JOCHJYFZSA-N 418.457 2.557 0 50 HFAA CC(C)[C@@H](C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1)N1Cc2ccccc2C1=O 1460169548 XOWFKHQMHBVAAZ-NRFANRHFSA-N 405.498 2.957 0 50 HFAA COc1cc(Cl)cc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529146963 SDHOKDUIFVIMBE-WOJBJXKFSA-N 421.877 2.940 0 50 HFAA COc1cc(OC)c(C(=O)CCC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1OC 1704325533 JVVSERDGFXFSEU-IFMALSPDSA-N 405.491 2.829 0 50 HFAA O=C(NCc1cccnc1)[C@@]12CCCCN1C[C@@H](Nc1ncnc3ccccc13)C2 1857699274 KJCIVGGXVHPCNA-MBSDFSHPSA-N 402.502 2.750 0 50 HFAA COCc1cc(CNC(=O)C[C@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)[nH]n1 1857707899 OTGLHDDHYKQWFD-CQSZACIVSA-N 413.478 2.629 0 50 HFAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 1875245045 HSORQWHDZQEIOG-SFTDATJTSA-N 414.433 2.899 0 50 HFAA CCOC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 795514 VLOVZVPJLJXRJD-UHFFFAOYSA-N 418.534 2.718 0 50 HFAA O=C(O)COCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2 17090657 VIKZIGRYBZMRQL-UHFFFAOYSA-N 416.499 2.987 0 50 HFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCN2CCOCC2)cc1 19838305 PUKMGLFIKGTNFQ-FQEVSTJZSA-N 412.534 2.733 0 50 HFAA COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 20255056 UUNAOZXVFAERRR-LJQANCHMSA-N 418.921 2.997 0 50 HFAA Cc1cccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn23)CC1 22890934 HUEOYRDLEITUPX-UHFFFAOYSA-N 418.545 2.592 0 50 HFAA Cc1cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)nc(N2CCCCC2)n1 67602209 NPZMZHZDKWYAFP-UHFFFAOYSA-N 400.552 2.811 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)cc1 95372042 XOOBWELGDBVQDW-SFHVURJKSA-N 401.484 2.737 0 50 HFAA FC(F)(F)CN1CC[C@H](CNCc2ncc(I)s2)C1 241371381 MNCZPFZHNVAAET-MRVPVSSYSA-N 405.227 2.722 0 50 HFAA COc1ccccc1CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 253429591 NWHIDQOYMDDNIC-BQFCYCMXSA-N 405.539 2.935 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(CCC(=O)NC(C)C)C3)C2=O)c1 426430996 GTJMMTQAKTVKTJ-JOCHJYFZSA-N 405.514 2.564 0 50 HFAA Cc1cc(C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)c2c(O)nn(C)c2n1 446604459 LPOIDJQWQFYZBE-OAHLLOKOSA-N 416.485 2.881 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3CCC([C@@H](O)c4cccs4)CC3)ccc2N1 952985531 CBQBHDKJDFQNGP-LJQANCHMSA-N 406.529 2.767 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H](CC(C)C)NC(=O)c1cccs1 1704313887 MWMCKOZHIHSHCW-MRXNPFEDSA-N 405.568 2.515 0 50 HFAA O=C(c1cnc(O)c2ccccc12)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857682787 SAUAMYVFDYCZPR-QHCPKHFHSA-N 403.438 2.830 0 50 HFAA Cc1nc([C@@H]2OCC[C@@H]2NC(=O)Cn2c(-c3ccccc3)nc3ccccc32)n[nH]1 2325838891 BZMYZSVVVMGPQS-FXAWDEMLSA-N 402.458 2.776 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CON=c2c(C)nc3ccccc3nc2C)cc1 1072157 KOONFYSSBVIUBE-UHFFFAOYSA-N 406.442 2.894 0 50 HFAA CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)c1ccc(C)cc1 5102247 GADAWCABJFZONY-UHFFFAOYSA-N 418.577 2.950 0 50 HFAA CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCC(C)CC1 11411268 ZXSALIXSLSTAMY-UHFFFAOYSA-N 419.526 2.969 0 50 HFAA CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12301540 JVYIAWXIRYJPLG-QFIPXVFZSA-N 418.497 2.691 0 50 HFAA COc1ccc(CCN(C)C(=O)c2cn(Cc3c(F)cccc3F)nn2)cc1OC 12718885 IJJGASRJSQACFI-UHFFFAOYSA-N 416.428 2.937 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCC1(O)CCCCC1)C2 14743238 MTKNTKQGNCLTDE-KRWDZBQOSA-N 414.525 2.631 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)nn1 15002282 MYLKNKLFRGZZRL-SCOAYWHSSA-N 401.536 2.774 0 50 HFAA O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)[C@H]1CCOC1 72474219 XDJUKQDUTOKPFS-HNNXBMFYSA-N 410.449 2.976 0 50 HFAA CC(C)(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82125766 PUQQFYWBGFFQJG-SFHVURJKSA-N 400.567 2.837 0 50 HFAA O=C(NCC1(O)CCCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82160492 VIHMGDQCEAFESK-NRFANRHFSA-N 414.594 2.569 0 50 HFAA Cn1nc(NS(=O)(=O)c2ccc(I)cc2)c2ccccc21 409420853 QWFUKEXNEWNCQB-UHFFFAOYSA-N 413.240 2.979 0 50 HFAA Cn1ccc(N2CCC[C@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2=O)n1 460448749 WRSISZSADAXQOI-HNNXBMFYSA-N 406.408 2.782 0 50 HFAA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n[nH]1 888088777 RCXYCMXFUWRGAL-QKLQHJQFSA-N 424.549 2.944 0 50 HFAA CCc1ccc(CN2C[C@H](C(=O)N(C)Cc3nc(-c4cccnc4)no3)CC2=O)cc1 952989548 XKYHUOLLZMAOIQ-LJQANCHMSA-N 419.485 2.701 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccccc3Cl)C1)CC2 1704312065 YLILSQXYNPVXOX-IBGZPJMESA-N 406.939 2.865 0 50 HFAA O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772807299 LZMCGMDWGCKENS-GCJKJVERSA-N 412.511 2.548 0 50 HFAA COc1ccc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)c(C(=O)O)c1OC 1857685447 JSTPVIIZKWZZSZ-UHFFFAOYSA-N 411.462 2.897 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2[C@H]3CCCC[C@H]2CCC3)cc1OC 2100537299 MCNLWUCABNACRO-AFMUBRCDSA-N 402.491 2.584 0 50 HFAA O=S(=O)(Nc1ccc(OC2CCNCC2)cc1)c1sncc1Br 2325865819 RGGHJBMGOJUDIO-UHFFFAOYSA-N 418.338 2.837 0 50 HFAA CCC/C=C/C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(OC)c(-c2ccnn2C)c1 2325872681 JFSUNRNTJROJIR-GYLYBBBXSA-N 408.502 2.781 0 50 HFAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1ccncc1Cl)C[C@H]2O)C1CC1 2356146186 VXEPHUNWDIZQJI-KTDPBYDISA-N 411.933 2.838 0 50 HFAA COc1ccccc1CC(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356152367 GQNWAROUUBKMJE-DNVFCKCGSA-N 400.519 2.525 0 50 HFAA COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 812342 SJMPICXLISGZBT-UHFFFAOYSA-N 418.446 2.939 0 50 HFAA Cc1cc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)c2ccccc2n1 2488125 MRAPQRNKQRMPPQ-UHFFFAOYSA-N 409.467 2.829 0 50 HFAA O=C(O)c1ccc(NN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 3074583 HJOZWQDZHCSBQU-UHFFFAOYSA-N 417.421 2.998 0 50 HFAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccc2F)CC1 4276229 QXGILKVVAAFNIX-UHFFFAOYSA-N 417.440 2.924 0 50 HFAA Cc1cccc(C)c1O[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 8163376 YJBXSHSKNATVHS-MJGOQNOKSA-N 416.518 2.664 0 50 HFAA COc1ccc(CN2C[C@H](Sc3nccc(C)n3)C[C@H]2C(=O)N(C)C)cc1C 11972761 AOFKIUPIPCAKSU-MSOLQXFVSA-N 400.548 2.925 0 50 HFAA CCOc1cc(CN2CCC[C@H](n3cc(C(=O)N(CC)CC)nn3)C2)ccc1O 12165473 GYLBTDIYBHKEBI-KRWDZBQOSA-N 401.511 2.702 0 50 HFAA CCn1cc(CN2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c(C)n1 12708565 JDNIMUNDTOMDPB-QGZVFWFLSA-N 400.523 2.871 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCc1cccnc1)C2 14748102 RBERVKYTPCQDPA-GOSISDBHSA-N 413.591 2.567 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 14966817 NIHKPZHODUTXTK-OAQYLSRUSA-N 419.547 2.912 0 50 HFAA COc1cc2nc(N3CCC[C@H](O)C3)c(CNCC(C)C)cc2c(OC)c1OC 19143697 ABGYMKRCTBRKJW-INIZCTEOSA-N 403.523 2.967 0 50 HFAA Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCOCC2)cc1 19865393 YNKDGXMYPCVFLF-SILNSSARSA-N 413.543 2.666 0 50 HFAA CCn1nc(C(=O)NC)c2c1CC[C@@H](NCC1(N3CCCCC3)CCCCC1)C2 32551015 VKUCFFVHCNWXDL-GOSISDBHSA-N 401.599 2.898 0 50 HFAA CN(CC(=O)NCc1cccnc1N1CCc2ccccc2C1)Cc1ccccn1 39446847 MSQNEBWPAWKLLA-UHFFFAOYSA-N 401.514 2.788 0 50 HFAA CS(=O)(=O)N1CCC(NC(=O)C[C@H](c2ccccc2)c2ccc(F)cc2)CC1 55309034 JUGKABYKSYKFNV-HXUWFJFHSA-N 404.507 2.888 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)cc1 55378633 DQEDIZYMZAAKKR-GOSISDBHSA-N 415.559 2.973 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCOCC2)n1 64800397 AGPDTASBFCXSKO-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA COc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 65362889 ZWXYZAQSEMLTPQ-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1 65363339 WVRIBXQPRKFNIC-UHFFFAOYSA-N 401.532 2.928 0 50 HFAA Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 65468226 RUHAWROOCQLKBP-UHFFFAOYSA-N 400.567 2.863 0 50 HFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2n[nH]c(O)n2)CC1 95520303 UHDULYNKJBFRHM-UHFFFAOYSA-N 401.511 2.529 0 50 HFAA CN(C)c1ccc(C(=O)OCCN2CCCN(C(=O)OC(C)(C)C)CC2)c(F)c1 170609409 FNUNOCZZXRWKKM-UHFFFAOYSA-N 409.502 2.991 0 50 HFAA CCOc1c(I)cc(I)cc1C(=O)O 252498754 RKKNOCJPICDSLH-UHFFFAOYSA-N 417.968 2.993 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2c(Cl)cccc21 263587345 FXBVFXJAGMBIIX-INIZCTEOSA-N 414.849 2.515 0 50 HFAA CC(C)n1c(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)nc2ccccc21 334161811 JBQSNDNNBFKPNA-SYNHAJSKSA-N 415.563 2.959 0 50 HFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 491996497 GVPZUPJFNSAVMH-HLIPFELVSA-N 421.497 2.955 0 50 HFAA CCn1cc(NC(=S)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cn1 789333841 UBQMEJJWWXCXNM-FQEVSTJZSA-N 412.519 2.615 0 50 HFAA COc1ccc(C(=O)NCCc2nccn2C)cc1Oc1cccc(OC)c1CN 1857693475 YNTHUDVQDHRYJJ-UHFFFAOYSA-N 410.474 2.661 0 50 HFAA COc1ccc2c(C)c(C(=O)N[C@H]3C[C@H]4CO[C@H](C5CC5)CN4C3)oc2c1OC 1857737242 CNDSGPUWNQBREB-MPGHIAIKSA-N 400.475 2.740 0 50 HFAA N[C@@H](Cc1cccc(NC(=O)C[C@H]2Cc3cc(C(F)(F)F)ccc3O2)c1)C(=O)O 1875305654 WRWLOLMZTUYVAL-CVEARBPZSA-N 408.376 2.992 0 50 HFAA Cc1ccn2c(=O)c(C(=O)N[C@H]3C[C@H](CNC(=O)OC(C)(C)C)C3(C)C)cnc2c1 1875351881 MJJUIPLLQNXJRT-ZBFHGGJFSA-N 414.506 2.672 0 50 HFAA Cc1n[nH]cc1C1CCN(C(=O)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 2325879136 JFFLYNCDWDRRAJ-UHFFFAOYSA-N 409.412 2.540 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 2356166546 CENKRCLNXQQKAZ-NRFANRHFSA-N 406.482 2.960 0 50 HFAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC(C)=O)c(OC)c1 852106 QWQPJHJQSPHOKJ-SFHVURJKSA-N 418.471 2.834 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1 4594738 LYBYEIVEMDNVJU-UHFFFAOYSA-N 412.533 2.668 0 50 HFAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 6208348 WJAUSEYRWWVFCP-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA c1ccc(CNc2nc3nonc3nc2N2CCCN(Cc3ccccn3)CC2)cc1 11821419 AUXCVVXSUHTMHL-UHFFFAOYSA-N 416.489 2.732 0 50 HFAA CCN(CC)C[C@@H](O)COc1cc(CN(C)Cc2nccn2CC)ccc1OC 11936231 HCEWMVBROFAAJX-LJQANCHMSA-N 404.555 2.625 0 50 HFAA COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1nnnc1CN1CCC(C)CC1 12387574 IVGOKDREFWRBKT-GOSISDBHSA-N 414.554 2.913 0 50 HFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CCOC 14542957 OMALIPZAROMZLC-GOSISDBHSA-N 402.539 2.558 0 50 HFAA CC(C)Cn1c(CN(C)CCc2cn[nH]c2)cnc1S(=O)(=O)Cc1ccccc1 15062972 GBLJLUNYZHYJAN-UHFFFAOYSA-N 415.563 2.911 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)c1C 15073243 FLQXHUZFGVWARX-HNNXBMFYSA-N 423.560 2.726 0 50 HFAA CC(=O)N1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 19720322 MBRZHMBDCDOOSJ-HXUWFJFHSA-N 421.950 2.524 0 50 HFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 19744691 VYCKYCQVVNRZER-FQEVSTJZSA-N 413.566 2.803 0 50 HFAA NC(=O)[C@@H]1CCCN1C(=O)CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 19837493 LPMRPYZSAVTXCJ-FPOVZHCZSA-N 411.477 2.628 0 50 HFAA COC(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20281521 CTBHMDKPRJDQDT-UHFFFAOYSA-N 413.499 2.717 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1C 38530838 QMPMRVBGKKGTLS-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA COCc1nn2c(nnc3c(=O)n(Cc4cccnc4)ccc32)c1-c1ccc(F)cc1 40392302 YZKWALLGBKTVFT-UHFFFAOYSA-N 416.416 2.835 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@H]54)[C@H]23)c(OC)c1 248184074 GIOZNUPYMKXVJF-KQMANQECSA-N 418.449 2.878 0 50 HFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 428121105 MFSLBIDYXMXODT-VXKZXEGRSA-N 407.458 2.902 0 50 HFAA CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc3nc(O)nc(O)c3c1)CCC2 477096544 CWSHDOOZOIKTQI-AWEZNQCLSA-N 420.516 2.758 0 50 HFAA Cc1ccc([C@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CCO2)o1 1875253266 VUXBNQLQOUOKPB-FXAWDEMLSA-N 418.515 2.589 0 50 HFAA C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 3861782 RWQKHEORZBHNRI-BMIGLBTASA-N 403.818 2.573 0 50 HFAA endogenous,in-man FC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCOCC2)(N2CCOCC2)=N1 4953291 LQFCDVIWFLDPRP-UHFFFAOYSA-N 407.255 2.532 0 50 HFAA CCCc1c(O)nc(S[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[nH]c1=O 4997607 RJFHYABRPJLWNP-ZDUSSCGKSA-N 407.879 2.814 0 50 HFAA Cc1csc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 10510960 ZSVMABXNHXBJMU-UHFFFAOYSA-N 411.413 2.763 0 50 HFAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2c(C)noc2C)C3)nn1 11977808 MSWCDAOPULUNFG-OAHLLOKOSA-N 412.421 2.559 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC(Cc3ccccc3)CC2)n1CCOC 12434308 ZLEPTBZEGYPJAT-UHFFFAOYSA-N 405.564 2.778 0 50 HFAA COc1cccc(CO[C@H]2CN(Cc3ccc(CO)o3)CC(=O)N(CC(C)C)C2)c1 14536827 RALAPEKHHSRIGS-QFIPXVFZSA-N 416.518 2.666 0 50 HFAA O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1ccccn1 14978786 JGIPAGQSZDFTJU-QGZVFWFLSA-N 409.515 2.923 0 50 HFAA Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc12 19909119 JFIRXVDEZJPDCW-LJQANCHMSA-N 412.461 2.802 0 50 HFAA CN(C(=O)OC(C)(C)C)c1nc(N)c(I)c2c1ncn2C 144669070 JZLKAZMOZMXQIY-UHFFFAOYSA-N 403.224 2.526 0 50 HFAA COc1cc(Br)cc(C)c1NC(=O)N1CCC(N2CCNC2=O)CC1 170606816 XLJNTOATTKDDEZ-UHFFFAOYSA-N 411.300 2.788 0 50 HFAA CCOC(=O)C1=CN(Cc2ccc(OC)cc2)S(=O)(=O)N=C1c1ccccc1 221643021 USTCFIDQORBGDA-UHFFFAOYSA-N 400.456 2.692 0 50 HFAA COc1cccc(Cc2nnc(NC(=O)c3c(C)nc4ccc(OC)nn34)s2)c1 225706174 OFKCYNSTUKTUGP-UHFFFAOYSA-N 410.459 2.750 0 50 HFAA O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346770 BHRADLNCZJJIAN-KXEAFHOWSA-N 419.525 2.941 0 50 HFAA biogenic O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1cc(F)ccc1F 263619694 ZZUOMCGJRGXYBH-UHFFFAOYSA-N 414.397 2.991 0 50 HFAA CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc3nnc(-c4ccccc4)n3n2)cc1 301215821 XTSFOINBZQURLJ-CQSZACIVSA-N 408.487 2.873 0 50 HFAA CC(C)c1nc(-c2cccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)c2)n[nH]1 409413213 FESJULJURCASTO-QGZVFWFLSA-N 418.457 2.674 0 50 HFAA CC[C@H](NC(=O)CCc1nc(-c2ccccc2OC)no1)c1cn2cccnc2n1 426633875 KWOSDZBCKBPWAQ-HNNXBMFYSA-N 406.446 2.988 0 50 HFAA CC(=O)N[C@H](CC(=O)NCC1(CN2CCOCC2)CCCCC1)c1ccc(C)cc1 434148666 SKUNWJOVQBIOAE-JOCHJYFZSA-N 415.578 2.961 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCCN(c2cccc(F)c2)C1 495206754 ZXASFWIRWPRPHG-PESIICQFSA-N 411.521 2.603 0 50 HFAA O=C1NCCN(C(=O)c2cc3c(s2)CCOC3)[C@@H]1c1cccc(Br)c1 498514096 AKLCLRMRUXRWPT-MRXNPFEDSA-N 421.316 2.897 0 50 HFAA Cc1cc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)nc2cc3c(cc12)CCC3 1704345462 YYJUMNJLFKAMDW-UHFFFAOYSA-N 414.575 2.885 0 50 HFAA Cc1ccc(=NCCCNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)[nH]c1 1857718212 CUVUOHUWLJHTIS-QGZVFWFLSA-N 408.506 2.573 0 50 HFAA COc1ccc(-c2ccnc3nc(=NC(=O)[C@@H](C)n4ccnc4C(C)C)[nH]n23)cc1 2100483570 FNFWYFKTPBACFP-CQSZACIVSA-N 405.462 2.741 0 50 HFAA CC1(C)CCc2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 2325819449 FHWFZLHMPOXQPN-UHFFFAOYSA-N 423.488 2.973 0 50 HFAA COc1ccc(-c2onc(NCCc3noc([C@H]4CCCO4)n3)c2C(=O)O)cc1 2356159154 OHIBMCWSBDWDLG-CYBMUJFWSA-N 400.391 2.938 0 50 HFAA CCn1cc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@@H](C)C3)cn1 2781985 VYDOXSAULVNCQU-CYBMUJFWSA-N 402.520 2.814 0 50 HFAA NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 2836246 FWIKFSIEXNKGIR-UHFFFAOYSA-N 417.712 2.779 0 50 HFAA O=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 4838229 CTDUASWMZFYBRO-SFHVURJKSA-N 422.934 2.978 0 50 HFAA COc1ccc(CCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 5022588 NOPAUUYQISWUME-UHFFFAOYSA-N 412.511 2.973 0 50 HFAA CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 9721749 UNRRZBQJHIPDMV-UHFFFAOYSA-N 418.559 2.844 0 50 HFAA O=C1CCCN1CCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12 11935979 LIWCVSQCFLHMGA-UHFFFAOYSA-N 417.579 2.904 0 50 HFAA O=S(=O)(c1cccc2nsnc12)N1CCN(C/C=C\c2ccccc2)CC1 36372398 PVIJATJBOZEYAB-YVMONPNESA-N 400.529 2.711 0 50 HFAA Cc1cccnc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 55042269 KYUIQQBXEWUPAP-IBGZPJMESA-N 418.563 2.581 0 50 HFAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OCC)c1 239046436 FRENXTLCNKOSTB-IYVPYFHTSA-N 401.415 2.501 0 50 HFAA COc1cccc(OC)c1[C@@H]1CC(c2cccs2)=NN1C(=O)CN1CCOCC1 328598594 NLWIGUWUNVSIQR-INIZCTEOSA-N 415.515 2.775 0 50 HFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CN2CCOc3ccccc3C2)n1 952979050 CYVFVLYACUSJMT-CQSZACIVSA-N 410.440 2.857 0 50 HFAA C[C@]1(O)CCOC2(CCN(Cc3ccc(OCCCN4CCOCC4)cc3)CC2)C1 1704325353 IGGBFXIIKTUYFS-QHCPKHFHSA-N 418.578 2.684 0 50 HFAA CN(C)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)CCc2ccncc2)c1 1857683889 QBJDWOUQKSDYHB-NPHXMPSESA-N 406.530 2.747 0 50 HFAA CC(C)c1nnc(N2C[C@H](C(=O)N(Cc3ccc(O)cc3)C3CC3)CC2=O)s1 1857714814 MYIQSAGAKSZEMO-CQSZACIVSA-N 400.504 2.911 0 50 HFAA Cn1ncc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1S(C)(=O)=O 2325745360 CVTPXIWGAJIHTJ-UHFFFAOYSA-N 422.470 2.528 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3ccc4nc[nH]c4c3)C2)c2cccc(=O)n21 2356136070 FUMWCYKBDLHUKW-KHYOSLBOSA-N 412.515 2.874 0 50 HFAA COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 1117691 XWQMBHODKGVMMF-UHFFFAOYSA-N 414.842 2.670 0 50 HFAA CCn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1ccncc1 10477588 GRLBUGREXRRPPM-UHFFFAOYSA-N 415.426 2.961 0 50 HFAA COc1ccc(F)c(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 11980725 KRFHEKIJFJSOKP-UYAOXDASSA-N 406.498 2.643 0 50 HFAA CCOc1cc(CN2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)ccc1O 12131453 LYXSJNIWOLJDMQ-NRFANRHFSA-N 415.538 2.664 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3ccccc23)CC1 12317422 KCOMGKJJAAFYGQ-SFHVURJKSA-N 400.523 2.543 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12386013 DDJYSRREDSQXFM-VWLOTQADSA-N 420.509 2.907 0 50 HFAA COC(=O)Cn1c(=O)c(CN2CCN(C3CCCCC3)CC2)cc2ccc(C)cc21 20784418 DBWAFJYIKXPABA-UHFFFAOYSA-N 411.546 2.933 0 50 HFAA COc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2cccn2)CC1 67605256 AOVXFPSCUGWBBR-IBGZPJMESA-N 406.534 2.792 0 50 HFAA O=C(NCCCc1ccccc1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773448 QOCGECZJYMIYSQ-UHFFFAOYSA-N 421.497 2.650 0 50 HFAA O=C(CN1CCOCC1)N1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 170607018 NPORRCLUELBBDB-UHFFFAOYSA-N 413.484 2.505 0 50 HFAA O=S(=O)(c1ccc2nc[nH]c2c1)N(CCOc1ccccc1)C[C@H]1CCCO1 952872013 GYGNNCHCLKWSFP-QGZVFWFLSA-N 401.488 2.812 0 50 HFAA CCOc1ncccc1C(=O)NCC1CCN(C(=O)c2ccc(Cl)cn2)CC1 952966094 VMPJZXMMAQQPGX-UHFFFAOYSA-N 402.882 2.811 0 50 HFAA C[C@@]1(NC(=O)c2ccccc2OCCc2ccccc2)CCOC2(CCNCC2)[C@H]1O 1704300836 XOIQZJQPUFMMKB-BJKOFHAPSA-N 424.541 2.700 0 50 HFAA Cc1cncc(C(=O)N2CCOC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)c1 1857675918 LTTPUJVALOVZQS-JOCHJYFZSA-N 405.498 2.795 0 50 HFAA O=C1CCCN1C[C@@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(O)n2)C1 1875343119 RDRDSRMZPUUJFY-LBPRGKRZSA-N 418.291 2.787 0 50 HFAA Cc1cc(C)cc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 2082941846 MPIMKGYFMUXLPS-MRXNPFEDSA-N 410.495 2.608 0 50 HFAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 1422485 OJZQMTWBXHWRFR-FQEVSTJZSA-N 420.425 2.636 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 2855529 PEJHUIYTSKILNK-UHFFFAOYSA-N 423.560 2.531 0 50 HFAA COC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2ccccn2)n1C 6725446 CJDSJDZFPDRNBB-UHFFFAOYSA-N 403.489 2.764 0 50 HFAA O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 11839007 RPQZUTVTFAYBDP-IIBYNOLFSA-N 400.500 2.676 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)NC[C@H]4COCCO4)cc3o2)cc1OC 12004293 PDXCCBIPAIGPAJ-INIZCTEOSA-N 412.442 2.581 0 50 HFAA CCOCCCNC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 12040170 GWHPQXRTNUBKMP-UHFFFAOYSA-N 419.551 2.581 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 12708149 FFEHBRFWHDSTNS-QGZVFWFLSA-N 410.470 2.635 0 50 HFAA O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@H]1CCCCNC1=O 14888662 KUOACMADALWMIB-GBXCKJPGSA-N 407.514 2.596 0 50 HFAA CCOc1cc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)ccc1OC(C)=O 15685088 BRMUREHOPDCVCI-PDGQHHTCSA-N 407.451 2.690 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)s1 20166967 XUZIYTXDVCZTOG-APWZRJJASA-N 417.579 2.556 0 50 HFAA Cc1ncoc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 20599476 IZKRRRKNBPMJSU-NRFANRHFSA-N 424.545 2.960 0 50 HFAA COc1cc(CNCCc2nc(C)c(C)s2)ccc1OC[C@H](O)CN1CCCC1 23339923 SJUBMVWVRMIZOI-LJQANCHMSA-N 419.591 2.936 0 50 HFAA Cc1nc(-c2c3n(c(=O)n(Cc4ccc(OC(F)(F)F)cc4)c2=O)CCCC3)no1 169763879 TXRXIUJBEYHYSM-UHFFFAOYSA-N 422.363 2.652 0 50 HFAA CCNc1cc(C(=O)NC[C@@]2(C)CCN(C(=O)c3ccnc(NCC)c3)C2)ccn1 225686451 BYRUSPWRYIBNNW-JOCHJYFZSA-N 410.522 2.622 0 50 HFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 225713980 OKCUEOYXSHXUMC-WCXIOVBPSA-N 413.301 2.516 0 50 HFAA C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248155021 LJEQGJJOJBFCJQ-JTOWHCCKSA-N 411.502 2.829 0 50 HFAA COc1cccc(C=c2sc3nc(=O)c(Cc4ccc(F)cc4)c(C)n3c2=O)c1 254696020 DXZNGFMIYSCBKM-UHFFFAOYSA-N 408.454 2.711 0 50 HFAA Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n[nH]2)c1 436153969 PRBFZSDMKGEKAR-UHFFFAOYSA-N 414.418 2.551 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)cc1 825168537 SYUGZMHIDVPHCE-UHFFFAOYSA-N 405.498 2.723 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 827654458 NRIUBXNEMSIANT-OAQYLSRUSA-N 405.458 2.565 0 50 HFAA Cc1noc(COCC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)n1 952891702 BPSYFICLTREXLA-UHFFFAOYSA-N 411.437 2.897 0 50 HFAA CN(CCO)c1ccc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)cc1 1857700038 JUXHMTOWZBSHQL-UHFFFAOYSA-N 404.514 2.757 0 50 HFAA Cc1noc(C)c1CN1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875240798 ZXMFEJMIMAHYGT-FQEVSTJZSA-N 412.534 2.684 0 50 HFAA CN1CCN(c2ncc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)s2)CC1 2325738847 HPQIABOESNGWIU-IBGZPJMESA-N 413.591 2.852 0 50 HFAA COCCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 2861426 MJBPANNHTGICHA-UHFFFAOYSA-N 416.421 2.560 0 50 HFAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 2876527 CKTOWGWYFSZESY-KRWDZBQOSA-N 424.906 2.815 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC(c2nc3ccccc3o2)CC1 12373434 BZQMSECFIZQNTO-UHFFFAOYSA-N 408.506 2.925 0 50 HFAA CCc1c(C(=O)NC[C@H]2CCCN2CC)c(=O)cc(C)n1Cc1ccccc1OC 12451966 QZOZRMWIRUSJQU-LJQANCHMSA-N 411.546 2.990 0 50 HFAA COc1ccc(CN2C[C@@H](CN3CCCC3)C[C@@H](C(=O)N3CCCC3)C2)cc1OC 14750166 BLAWAMDZEQRNLL-NHCUHLMSSA-N 415.578 2.860 0 50 HFAA COc1cc(CN2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc(OC)c1 22909960 UCVWRQUIOYFFLA-HXUWFJFHSA-N 402.539 2.550 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(Cl)c2)CN1Cc1ccccc1 32577738 BGIGUTFRPLCUIX-RTWAWAEBSA-N 401.938 2.835 0 50 HFAA CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 65362691 CAKCYUXZPJRISP-UHFFFAOYSA-N 402.524 2.577 0 50 HFAA COc1ccccc1C(=O)N1[C@H](C(=O)NCCCn2cccn2)C[C@H]2CCCC[C@H]21 230132680 OHTBMOCUPJNBQN-RLLQIKCJSA-N 410.518 2.872 0 50 HFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 252430818 LYLUJBCWPARIDH-TZIWHRDSSA-N 402.502 2.791 0 50 HFAA c1ccc(CNc2ncc(CNC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cn2)cc1 952869575 JQQQGCYLPVNTML-MGAZVUHYSA-N 416.533 2.913 0 50 HFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 952972957 HNXAVDQOUFVZTJ-KRWDZBQOSA-N 407.430 2.521 0 50 HFAA O=C1CCOC2(CCN(C(=O)c3ccccc3OCCc3ccccc3)CC2)CN1 1857713821 PCQNBDCKTMQKAQ-UHFFFAOYSA-N 408.498 2.819 0 50 HFAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3ccc(F)cc3Cl)C[C@H]2CO1 1857721045 XBSZKPPZXCDCMW-PMPSAXMXSA-N 406.889 2.835 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 1875369446 OOJMURKFZALQBX-INIZCTEOSA-N 406.486 2.936 0 50 HFAA COC(=O)c1ccc(OC2CN(c3nc(O)c4cnn(-c5ccccc5)c4n3)C2)cc1 2325874575 SBEDMDVTKUKUQB-UHFFFAOYSA-N 417.425 2.575 0 50 HFAA O=C1CC[C@@H](N2C(=O)c3ccc(OCc4cccc(C5CC5)c4)cc3C2=O)C(=O)N1 2325893895 YRDVUSJYXHGDAB-LJQANCHMSA-N 404.422 2.544 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccnn4C)C3)c3cccc(=O)n32)c1 2356158191 YYFOSIRBIMWKPG-FGSXEWAUSA-N 418.497 2.634 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1 879843 KDSARMZZZLTPBU-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA COc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2064375 BSWARRMDOOSJLZ-UHFFFAOYSA-N 406.460 2.856 0 50 HFAA CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 2832322 WUGUPFWRUONPCA-BUHFOSPRSA-N 402.472 2.565 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)N2CC[C@@H](c3ccccc3F)C2)CC1 11774979 KPDVYOWFCNJWIL-GOSISDBHSA-N 414.529 2.840 0 50 HFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccs1 12099857 HGNUVWSWBLRDTE-AEFFLSMTSA-N 416.938 2.563 0 50 HFAA O=C(c1cccnc1)N1CCC(Oc2ccccc2C(=O)N2CCSCC2)CC1 12303828 PZNRMZYUQJKFAK-UHFFFAOYSA-N 411.527 2.954 0 50 HFAA Cc1cc(C)n2c(CCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nnc2n1 12409577 LHAPULCHKAEDAO-UHFFFAOYSA-N 414.318 2.959 0 50 HFAA CCn1cc(CN2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c(C)n1 12708560 JDNIMUNDTOMDPB-KRWDZBQOSA-N 400.523 2.871 0 50 HFAA O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CC2)c1=O 14970295 CZZNVSOHXULKNC-GOSISDBHSA-N 415.534 2.762 0 50 HFAA Cc1ccc2c(CN3CCN(CC(=O)Nc4ccccc4F)CC3)cc(=O)oc2c1 20407870 DRMFDXZQYWRAKM-UHFFFAOYSA-N 409.461 2.997 0 50 HFAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608497 BYFPXKLAWUZLNK-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 55309673 UXJUWNDXJYOSEV-GOSISDBHSA-N 403.548 2.916 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Cn4cncn4)C3)cc2)c1 77387060 NFYCSQKXJQDULU-LJQANCHMSA-N 419.485 2.831 0 50 HFAA COc1c(F)cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1Cl 91390880 RWXQNJIHRZGLHI-APWZRJJASA-N 400.922 2.783 0 50 HFAA COc1cccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@H]2CCO)c1 104428125 INLZHTQEIQQWAH-LJQANCHMSA-N 416.591 2.821 0 50 HFAA C[C@H]1[C@@H](C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1C(=O)OC(C)(C)C 170605148 VEGOHEUOUHPTFJ-HOTGVXAUSA-N 413.522 2.857 0 50 HFAA O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@@H](CCCc1ccccc1)c1ccccc1 730520464 LQSRMQKIVFVEJO-FQEVSTJZSA-N 401.470 2.952 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCCOc2cccc3cccnc23)CC1=O 824819749 HCSFGNGIURSVED-LJQANCHMSA-N 419.481 2.787 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(Cn3cccn3)c2)cc1OC 1529171784 BKMUWOQNKBUZKW-DNQXCXABSA-N 423.513 2.883 0 50 HFAA CN1CCC2(CC1)CN(c1nnnn1Cc1ccc(-c3ccccc3)cc1)CCO2 1772809572 YCHGSSDCJRXGSC-UHFFFAOYSA-N 404.518 2.689 0 50 HFAA COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857674909 CSEDAIAMMWIFOV-KRWDZBQOSA-N 422.510 2.807 0 50 HFAA Cc1nn(C)c(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1C 1857700734 GQSMMWYIZFUCPN-QHCPKHFHSA-N 418.501 2.715 0 50 HFAA CCOC(=O)CN(C(C)=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 1857800144 QHIKZFOBHWSYQB-UHFFFAOYSA-N 416.908 2.854 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 1875371758 LFFZXKYJGSVQQV-SJLPKXTDSA-N 407.308 2.508 0 50 HFAA COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 2864200 XDHNFNAKTGCKDN-GOSISDBHSA-N 415.421 2.647 0 50 HFAA CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC 2882199 LZGPDQYXVYFHQU-XMMPIXPASA-N 418.449 2.895 0 50 HFAA O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC(NCc3ccccc3)CC2)cc1 11785822 UTZLHALJTYCINE-QHCPKHFHSA-N 420.557 2.844 0 50 HFAA COC(=O)c1cc(CNC(=O)C2CCC2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 12451710 BCQNOMBHCRNRNS-UHFFFAOYSA-N 420.462 2.829 0 50 HFAA CCCn1c(NCc2cccc(C)c2)nc2cc(C(=O)N3CCNC(=O)C3)ccc21 77406996 OUMYKLPRWBRJHQ-UHFFFAOYSA-N 405.502 2.939 0 50 HFAA O=C(NCCc1nccs1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82093046 MKCZFCDSNKWPPZ-LJQANCHMSA-N 413.591 2.573 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 252515519 LBGKSLBUGGDVDR-CXFRRJOOSA-N 418.541 2.818 0 50 HFAA biogenic CCOC(=O)CC1(S(=O)(=O)Nc2ccc(I)cc2)CC1 328596017 NZRTUVUMDYYWFV-UHFFFAOYSA-N 409.245 2.519 0 50 HFAA Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)cc2n1C 476576010 VPVNKAJRNDFADV-INIZCTEOSA-N 406.486 2.979 0 50 HFAA COc1ccccc1[C@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1nccn1C 743184808 GFPCHDLPQHVWBV-IBGZPJMESA-N 403.446 2.921 0 50 HFAA CC[C@H](c1ccccc1)c1nn2c([C@@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726904 PMDKNYLKQMYYNT-HUUCEWRRSA-N 405.549 2.867 0 50 HFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccccc1OCCCN1CCCCC1)C2 1772710727 ZXLCRVXZTIVQNX-OFNKIYASSA-N 402.535 2.865 0 50 HFAA O=C(Nc1ccccc1OCCN1CCNCC1)c1cccc(Nc2ncccn2)c1 1875341805 JCKIJKBMMHPFKI-UHFFFAOYSA-N 418.501 2.757 0 50 HFAA COc1ccc(-n2cnnc2SCC(=O)N[C@@H](CC2CCCCC2)C(=O)O)cc1 2325851811 KHEGSDKGKCEGDV-KRWDZBQOSA-N 418.519 2.908 0 50 HFAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4cc5ccoc5cc4F)cccc3C2=O)C(=O)N1 2325895461 ATVSYNYOQDDVQD-QGZVFWFLSA-N 421.384 2.585 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 627912 FLQCYUCQMCITBG-UHFFFAOYSA-N 402.394 2.973 0 50 HFAA COc1ccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 787396 GWYAIDQEXHNEOY-LJQANCHMSA-N 404.532 2.737 0 50 HFAA CCn1c(C)[n+](CCCCS(=O)(=O)NC(C)=O)c2cc(Cl)c(Cl)cc21 3204345 GIGQQTQTQSDXAV-UHFFFAOYSA-O 407.343 2.810 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)o1 12193750 BGELPNQWWFOXDC-UHFFFAOYSA-N 424.545 2.924 0 50 HFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cc(Cc2ccc3c(c2)OCO3)no1 12204730 MQYLQUYYFKEDBD-UHFFFAOYSA-N 404.382 2.974 0 50 HFAA CN(Cc1cccs1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 12206489 WAVOXIXPHWDRJB-KRWDZBQOSA-N 409.577 2.939 0 50 HFAA O=C(NCCc1ccccc1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12470039 AUIOBZGVQFUTJS-KRWDZBQOSA-N 407.561 2.691 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2nccs2)CC3)cc1 14743371 RBWWNXAOYCVGGP-UHFFFAOYSA-N 414.531 2.623 0 50 HFAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCSCC1 14979289 KPDWXZUYUQLZSX-OAQYLSRUSA-N 409.555 2.620 0 50 HFAA O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2cccc(Cl)c2)CC1 22298841 PQHNHESRVGOBCN-VQTJNVASSA-N 418.921 2.680 0 50 HFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607606 YQDDEOXUJRXCSI-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA COc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1 54147035 VOFIBONHBZIXQM-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA COc1ccc(NC(=O)NCc2ccc([Si](C)(C)C)cc2)cc1NS(C)(=O)=O 241326153 LZPWJUCPPCPOKY-UHFFFAOYSA-N 421.595 2.934 0 50 HFAA CN1CCN([C@@H](c2ccc(Br)s2)c2sc3ncnn3c2O)CC1 252491664 LPWHDONUGOQGLX-NSHDSACASA-N 414.354 2.657 0 50 HFAA Cc1ccc([C@@H](CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c2ccccc2)cc1 426628776 ONOQMLSTJBMZIF-NRFANRHFSA-N 418.541 2.926 0 50 HFAA Cc1cccc(NC2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)c1 482579780 AMZCMQJARINICQ-GOSISDBHSA-N 417.535 2.660 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2c[nH]nc2C2CCCCC2)cc1 670440765 JDPBAXLPOAMGLW-UHFFFAOYSA-N 404.536 2.864 0 50 HFAA CN(CC(=O)Nc1ccc(Cc2ccncc2)cc1)C1=NS(=O)(=O)c2ccccc21 726100312 BXZLGQYMYDSURZ-UHFFFAOYSA-N 420.494 2.692 0 50 HFAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 952965818 CTSWEZXWBCUACJ-UHFFFAOYSA-N 404.470 2.965 0 50 HFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1[C@H]1CCCN(C(=O)CO)CC1 1772814748 RBLQIKBCFIRGGQ-SFHVURJKSA-N 400.523 2.766 0 50 HFAA O=C(Cn1cccn1)N1C[C@H]2CN(c3nccs3)C[C@]2(CCc2ccccc2)C1 1772815308 GGMYJIWVAGRBCL-UGKGYDQZSA-N 407.543 2.937 0 50 HFAA N[C@@H](Cc1cccc(NC(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)c1)C(=O)O 1875305524 VPCHQZWLVKNACF-ZDUSSCGKSA-N 422.363 2.511 0 50 HFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(N2CCOCC2)cc1 1070118 AMRHUPQNOXDUBX-UHFFFAOYSA-N 401.850 2.541 0 50 HFAA Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 4434706 NUEKZDFFDZIKIO-HNNXBMFYSA-N 404.488 2.868 0 50 HFAA Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@H]43)n2)cc1 4594098 TZMMNMNLKAIQRX-PZJWPPBQSA-N 402.502 2.791 0 50 HFAA CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 9935457 QSOIWIUAFGUSCZ-UHFFFAOYSA-N 420.238 2.723 0 50 HFAA COC(=O)C1CCN(C(=O)c2cc([C@H](C)Cc3ccc4c(c3)OCO4)no2)CC1 11996287 IQKWMEYIRYDKGR-CYBMUJFWSA-N 400.431 2.775 0 50 HFAA COc1cc(CN2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)cc2c1OCO2 12204254 YDFYLVUHJYLDFU-JOCHJYFZSA-N 417.506 2.650 0 50 HFAA Cc1cccc(C)c1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O 12462938 LBBSCWFBZOVYNP-UHFFFAOYSA-N 400.438 2.803 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2coc3c2C(=O)CCC3)CC1 12716752 VFQYHNDMJKIGPU-SFHVURJKSA-N 418.534 2.778 0 50 HFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 14534017 GONTXVAAWUNARF-UHFFFAOYSA-N 408.502 2.909 0 50 HFAA O=C(NCCc1ccccc1F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15064792 BNDQJVOGHYQZFC-LJQANCHMSA-N 401.526 2.597 0 50 HFAA C=Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1 15070111 DUFYNFAYFGSNLI-UHFFFAOYSA-N 411.546 2.505 0 50 HFAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CC[C@H](O)C3)nc2c1=O 72430593 ZTFDYSQBAPUOQW-INIZCTEOSA-N 410.474 2.546 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)CC1 102091759 RYKLHBDHIATUBC-JVSBHGNQSA-N 400.571 2.722 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)CC1 104322767 WBZPKMDWPKCNFW-XMMPIXPASA-N 411.594 2.614 0 50 HFAA COc1ccc(CCC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1 169779699 IGHXHLOCSCQCQB-UHFFFAOYSA-N 406.486 2.908 0 50 HFAA C[C@H](C(=O)Oc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239121213 JNDOJHQDBIVNRE-HENZOVJNSA-N 416.271 2.796 0 50 HFAA CC(C)c1ccc(N2C(=O)[C@H](CC(=O)NC[C@H]3COc4ccccc4O3)N=C2O)cc1 252494665 OBKVBWKCYSCBTN-ROUUACIJSA-N 423.469 2.786 0 50 HFAA O=C1N[C@@H](CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587245 DVCRTJHJIKKCMZ-OALUTQOASA-N 417.469 2.757 0 50 HFAA CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCCN1C)CCO2 299776864 MOQDRGLCSCCGOC-HSZRJFAPSA-N 422.573 2.961 0 50 HFAA COc1ccc2[nH]cc(CCNC(=O)CC[C@H]3NC(=O)N(c4ccccc4)C3=O)c2c1 409415045 RXJSBOQOSUJGIH-HXUWFJFHSA-N 420.469 2.740 0 50 HFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 734952775 CELDSXVHHWNJOS-KDOFPFPSSA-N 424.423 2.920 0 50 HFAA CCc1cccc(C)c1NC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952987839 LRQTVGUUWLTJGR-UHFFFAOYSA-N 408.568 2.828 0 50 HFAA Cc1nc[nH]c1CN1C[C@H]2CN(S(=O)(=O)C3CC3)C[C@]2(CCc2ccccc2)C1 1772815797 XIZLVOPFLLESKY-UGKGYDQZSA-N 414.575 2.577 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cnsc2)CC1 1857679451 VNDJKUILNMXGML-IBGZPJMESA-N 405.495 2.553 0 50 HFAA Cn1nc(-c2ccccc2)cc1C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CN(Cc3ncc[nH]3)C[C@@H]12 1857738950 GETUZXCKBRMYBV-TZRIAGMCSA-N 402.502 2.545 0 50 HFAA O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cccc([C@H](O)C(F)(F)F)c1 2325852194 VZNQJWNDKWMCAV-AWEZNQCLSA-N 414.409 2.840 0 50 HFAA Cc1nn(CC(=O)NCCc2c[nH]c3ccccc23)c(C)c1I 1432182 HWWMLBYZMJPOIJ-UHFFFAOYSA-N 422.270 2.945 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 4058144 CPYIYHOKMIZHAD-UHFFFAOYSA-N 421.906 2.604 0 50 HFAA CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 11813208 IHIYLARYSIQVOG-NHCUHLMSSA-N 402.535 2.894 0 50 HFAA COc1cccc(CN2C[C@H](C(=O)NCCOc3ccccc3F)CCC2=O)c1 11816283 SWZRVJJAMKTTMM-QGZVFWFLSA-N 400.450 2.768 0 50 HFAA COc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1O 11999651 IEEBVOMNPRWQSE-GOSISDBHSA-N 403.567 2.946 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1CCCc1ccccc1 12429944 JLMZJYYXWBBUKV-UHFFFAOYSA-N 415.563 2.675 0 50 HFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccnc1)CC2 14539607 IWEMHYLMVVNPCE-UHFFFAOYSA-N 422.529 2.917 0 50 HFAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cc(Cl)ccc3Cl)CN2C1=O 14749596 XZJSDFRLJTYHRR-GLQYFDAESA-N 413.305 2.629 0 50 HFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2 15072535 GPDCFPCDFJLQGU-LJQANCHMSA-N 411.525 2.533 0 50 HFAA Cn1cc(CCNCc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 19224574 WBWPETXPBKZMJY-DEOSSOPVSA-N 420.557 2.550 0 50 HFAA Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19367376 WPIGOXZBBAFBDJ-LJQANCHMSA-N 418.921 2.935 0 50 HFAA O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCN1CCOCC1 40397391 OWJCSEVJFXYCFU-UHFFFAOYSA-N 409.877 2.697 0 50 HFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=O)[nH]1 91563079 XFKPOXKKSYQFJU-INIZCTEOSA-N 406.490 2.573 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCN(CCSC(C)(C)C)CC2)c1 239761423 CJWMVPCXCOUEHU-UHFFFAOYSA-N 402.582 2.542 0 50 HFAA CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O 241693882 QIOIKKSSXGHNAV-HRAATJIYSA-N 412.515 2.774 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)c3nncn3C)csc2C1 426471583 OPNOAOSKBFMCFY-GFCCVEGCSA-N 400.508 2.531 0 50 HFAA CC(C)(C)OC(=O)NCCCC(=O)NS(=O)(=O)c1ccc(Br)cc1 585661985 CEBNUHFDRRAXMB-UHFFFAOYSA-N 421.313 2.559 0 50 HFAA OC[C@@]12CN(CCCn3cccn3)C[C@H]1CN(c1nc(-c3ccccc3)cs1)C2 1772812999 USEBSOKOTKHRLK-UGKGYDQZSA-N 409.559 2.827 0 50 HFAA CC(C)c1nccc(C(=O)N2CCc3ncc(CNC(=O)C4CCCC4)cc3C2)n1 1875243667 RJDJWHGQPNZJEV-UHFFFAOYSA-N 407.518 3.000 0 50 HFAA Cc1nc(C)c2c(C)c(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)sc2n1 1875252190 KZFPEKUEMLEVJS-GFCCVEGCSA-N 412.479 2.912 0 50 HFAA O=C1C[C@H](C(=O)NCCn2cc(-c3ccc(Cl)cc3F)nn2)c2ccccc2N1 1875340880 XDBOLGZXIPJNKI-HNNXBMFYSA-N 413.840 2.980 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(CCc2nc(Cc3cnc(C)o3)no2)cc1 1875346189 WGEYCSHUSBKYCW-UHFFFAOYSA-N 404.492 2.773 0 50 HFAA CCC[C@@H](C)c1nc(-c2ccc(-n3cc(C)cn3)cc2)n(CCS(N)(=O)=O)n1 1875348577 VXOYXOUENQCCRB-OAHLLOKOSA-N 402.524 2.631 0 50 HFAA Cc1cnn(C2CCN(C(=O)C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)c1 2325728094 WQXNUAZWOHJZIA-UHFFFAOYSA-N 424.480 2.935 0 50 HFAA CC(C)[C@@H](C)Oc1nn(C)cc1NC(=O)C(=O)Nc1cn(C)nc1O[C@H](C)C(C)C 2325816846 CQAZFBTXOBQDNE-ZIAGYGMSSA-N 420.514 2.577 0 50 HFAA COC(=O)c1c(NC(=O)[C@H]2CCC(=O)N(CC(F)(F)F)C2)sc2c1CCCO2 2325862461 UYZXLUWUGVIOHH-VIFPVBQESA-N 420.409 2.599 0 50 HFAA Nc1cnc(Cl)cc1C(=O)N1CC[C@@H]2[C@@H](NC(=O)/C=C/C=C(Cl)Cl)[C@@H]21 2325872818 OBQOTGKXMHAXAB-JFKCTDASSA-N 401.681 2.522 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(OC)c1 2356153538 LDZFWNHCLQPORC-QHCPKHFHSA-N 410.518 2.609 0 50 HFAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(Oc2ccccc2)cc1 881368 GNMKATCSEPIQMF-LJQANCHMSA-N 404.488 2.540 0 50 HFAA COc1cc(CN(CCO)C(C)C)ccc1OC[C@H](O)CN1CCCCCCC1 12056842 NMHLFBMCTZWZDS-OAQYLSRUSA-N 408.583 2.904 0 50 HFAA COc1ccc(/C=C/CN2CCC[C@@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)cc1 12130443 QMGGZBUBRRTJKS-PEAOBZDDSA-N 409.534 2.948 0 50 HFAA Cc1ccc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)c(F)c1F 12430219 JEQAVKFDFDYHGS-LJQANCHMSA-N 406.473 2.635 0 50 HFAA CCOc1cc(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)ccc1OC 19532083 KSKINRVTMRTRAJ-UHFFFAOYSA-N 420.531 2.609 0 50 HFAA CC(C)Cc1ccc(S(=O)(=O)N(Cc2cnn(C)c2)Cc2cnn(C)c2)cc1 20602515 HLYQDNKQVYPFKW-UHFFFAOYSA-N 401.536 2.743 0 50 HFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCN(C/C=C/c2ccccc2)CC1 48370758 OKUNQERNJQFHIW-JXMROGBWSA-N 414.509 2.768 0 50 HFAA Cc1nccn1-c1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)ncn1 67622897 KCCPETXVTOIQBB-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCC[C@H]1O 72437022 SENDCFQKZWPBNH-IAGOWNOFSA-N 414.593 2.691 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cc(F)ccc1F 169752523 PTMRAYJRIBIQQF-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4)ccn3n2)cc1 169775903 OAVQQCHQAYYCHJ-UHFFFAOYSA-N 402.454 2.992 0 50 HFAA O=C(c1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 263619623 ZQMJQDBANLVEGK-QFIPXVFZSA-N 421.476 2.647 0 50 HFAA Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)O 299756208 JTQADYKLNBKVNV-UHFFFAOYSA-N 411.414 2.869 0 50 HFAA COc1ccc(CN2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1Cl 328607895 XEUVHWQKLQHYAL-KRWDZBQOSA-N 418.925 2.579 0 50 HFAA Cn1ccnc1[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 409413856 FPNLXMIVSFGFBY-QUCCMNQESA-N 417.469 2.531 0 50 HFAA O=C(Nc1cccc(OCCN2CCCCC2)c1)C1CCC(Cn2cnnn2)CC1 409415168 VYGMSMBMGRAYRW-UHFFFAOYSA-N 412.538 2.983 0 50 HFAA COc1cc2c(cc1OC)CN(C(=O)N[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2 463537322 URLASKYLXALLRM-MRXNPFEDSA-N 413.449 2.716 0 50 HFAA O=C(NCc1csc(-c2cnccn2)n1)[C@H]1CCCCN1C(=O)c1ccccc1 827731001 FRTSTZVPUQATRM-GOSISDBHSA-N 407.499 2.911 0 50 HFAA C[C@@]1(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)Cc2ccccc2C(=O)O1 1875257096 XEQRWMNHJNNNSG-OFVILXPXSA-N 418.493 2.734 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H](n2cc(-c3cncs3)nn2)C1 1875326260 DWYMVGZJCSFUNK-HNNXBMFYSA-N 411.487 2.896 0 50 HFAA O=C(N[C@H](Cc1ccccc1)Cc1cnc[nH]1)c1ccc(-n2cnnn2)cc1Cl 2325716043 LTSVWCRSAFUIKG-OAHLLOKOSA-N 407.865 2.623 0 50 HFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCS(=O)(=O)CC3)[C@@H]2C(C)C)cc1 2325890036 UZAPKPVEMJNHJN-IBGZPJMESA-N 404.532 2.511 0 50 HFAA CO[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1 2332238901 PCNNSKDNXXDTBT-YRVHBCJASA-N 422.547 2.814 0 50 HFAA COc1ccc(-c2nc(NC(=O)CN3CCCN(C)CC3)sc2C)c(OC)c1 2356149753 ALBUIXBDNHWOFH-UHFFFAOYSA-N 404.536 2.712 0 50 HFAA CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C(C)=O)c1C 846862 DPWGVYFIYYARMG-UHFFFAOYSA-N 414.439 2.671 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(Cl)c2)cc1 11813436 BDQDKDCFPFMKCG-HXUWFJFHSA-N 415.921 2.746 0 50 HFAA O=S(=O)(c1cccc2nonc12)N1CCN(Cc2cccc3ccccc23)CC1 14239792 MSSZGCPYSAAZKL-UHFFFAOYSA-N 408.483 2.883 0 50 HFAA COc1nc2ccccc2cc1CNCc1cccnc1N1CCN(C(C)=O)CC1 20135714 QYAMXDACALJLOT-UHFFFAOYSA-N 405.502 2.597 0 50 HFAA CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 21726264 LLTLHGDPYDLCDO-HNNXBMFYSA-N 403.446 2.800 0 50 HFAA CCOc1ccccc1N(Cc1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O 67604427 SPQROYQJERFVHB-UHFFFAOYSA-N 418.515 2.524 0 50 HFAA Cc1ncn(-c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)ncn2)c1C 72437277 WKMRTJBYYGBQBX-UHFFFAOYSA-N 404.518 2.951 0 50 HFAA CCOc1ccc(CC(=O)N2CC[C@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1 169778187 KTFTUHKLOKEPQQ-INIZCTEOSA-N 408.462 2.620 0 50 HFAA CC(=O)c1ccc(N2CCN(C(=O)CSc3nccn4ccnc34)CC2)c(F)c1 170600449 XCWSYFJZNJZLBJ-UHFFFAOYSA-N 413.478 2.512 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239046995 GBMHRPRDDQCAOV-VYVINXJXSA-N 400.862 2.730 0 50 HFAA CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[C@@H](OCc2ccncc2)C1 239672499 BTLTWPXPGIDNCO-GHTZIAJQSA-N 424.545 2.721 0 50 HFAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ncnc(O)c2C1 476979372 DXLULFMODXUARV-VIFPVBQESA-N 412.671 2.950 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2c(C)[nH]c3ccccc23)cc1OC 1529125115 KZQRNHIFFPXQNG-ISKFKSNPSA-N 424.497 2.997 0 50 HFAA O=S(=O)(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1ccc(-c2cc[nH]n2)o1 1704315820 WJBFRVUUJKKOLL-DNVCBOLYSA-N 424.482 2.754 0 50 HFAA CC[C@]1(C(=O)NCCc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@@H]1N2S(C)(=O)=O 1704329815 CVMQVPXITHWABA-RYRKJORJSA-N 418.481 2.957 0 50 HFAA CSc1ccc2c(C)cc(N3C[C@H]4CN(Cc5cc[nH]n5)C[C@@]4(CO)C3)nc2c1 1772704654 OKWHEPAUIWVOPB-ZHRRBRCNSA-N 409.559 2.919 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCCN([C@H]2CCN(c3ccc(F)cc3)C2)CC1 1775984247 LCQIUTPGPZFZBF-FQEVSTJZSA-N 400.498 2.786 0 50 HFAA Cc1ccccc1CC(=O)N1CCC[C@@]2(CN(Cc3c(C)n[nH]c3C)CC[C@H]2O)C1 1857690239 XQBPZJKBRGSRCB-ISKFKSNPSA-N 410.562 2.753 0 50 HFAA Cc1cc(C)n(CCc2nnc(NC(=O)c3cccc(N4CCCC4=O)c3)s2)n1 1875245612 IDZFCLKHQWCEGL-UHFFFAOYSA-N 410.503 2.973 0 50 HFAA Cc1cccc(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C2)c1 1940195659 WEIMFFCOILGCHR-GVDBMIGSSA-N 400.441 2.642 0 50 HFAA Cc1nc(CCNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)nc2c1CCC2 1940195701 GRYCCCJJZBHCTL-UHFFFAOYSA-N 418.497 2.524 0 50 HFAA O=C(NC1(C2CC2)CCOCC1)[C@@H]1CCC[C@@H](C(=O)NC2(C3CC3)CCOCC2)C1 2325737685 GJIFVTLXJDKUOU-QZTJIDSGSA-N 418.578 2.944 0 50 HFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)CCc3cccc(C)c3)CC2)c1 2325888979 HECDYWULTNOYNO-UHFFFAOYSA-N 421.497 2.742 0 50 HFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4ccc5occc5c4)ccc3C2=O)C(=O)N1 2325901385 BYGGCVHAOHNTIT-QGZVFWFLSA-N 418.409 2.838 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@H](OCc4cccnc4)C3)cn12 2356161341 QJEAFDRWACHSMP-IBGZPJMESA-N 416.485 2.951 0 50 HFAA COc1cc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 942738 MGZAAZJDJOKEQN-OAQYLSRUSA-N 411.483 2.977 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 1049448 QDJHTOORUCOZOQ-HNNXBMFYSA-N 404.488 2.883 0 50 HFAA NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 2272332 FOIPRJDWWRUUBS-UHFFFAOYSA-N 411.512 2.551 0 50 HFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(Cl)cc2)cc1 2435813 RSQKKNPJKLBGPF-GOSISDBHSA-N 415.877 2.708 0 50 HFAA COc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 5044061 RPEXRHYKSFHVSX-HNNXBMFYSA-N 414.458 2.874 0 50 HFAA COc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)c1 12278438 RAEXGYXSTPFITB-JXFKEZNVSA-N 418.877 2.592 0 50 HFAA O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12326161 XTDHZUSQATWFLX-KRWDZBQOSA-N 415.925 2.649 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3c(Cl)cccc3C2)cc1 12429372 SPMCHFSWQXCTQU-OAQYLSRUSA-N 411.933 2.924 0 50 HFAA Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12471050 RKZPGPILDKXCEQ-IBGZPJMESA-N 410.518 2.964 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)c1ccccc1Cl 12750310 WBUWCKPCJJCCSH-MRXNPFEDSA-N 405.926 2.711 0 50 HFAA Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 20786117 YIMIOBFTYNVDFQ-LJQANCHMSA-N 419.529 2.901 0 50 HFAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)C2(C(N)=O)CC2)CC1 23159573 HNGMEGHFJAWIBX-UHFFFAOYSA-N 420.557 2.896 0 50 HFAA CN(Cc1ccccn1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82114820 XUPVFLWGVRHJRH-NRFANRHFSA-N 407.562 2.812 0 50 HFAA C[C@@H]1CC[S@](=O)CCN1c1ncnc2ccc(I)cc12 241961309 URHZEGMIWWXVMM-SBKAZYGRSA-N 401.273 2.582 0 50 HFAA CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346812 FBOFDJFMOZCIEN-YOEKFXIASA-N 407.514 2.655 0 50 HFAA biogenic COC(OC)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 390832713 LTEURUKAUGVCGJ-YGRLFVJLSA-N 423.362 2.969 0 50 HFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H]3C(=O)Nc4c(F)cccc43)C2)n1 1291767208 SYKUBIVOZNCCLG-HOCLYGCPSA-N 410.449 2.832 0 50 HFAA COc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cn1 1857673696 RNZYYIOVXUTZRU-UHFFFAOYSA-N 405.502 2.784 0 50 HFAA Cc1cc(C)n2nc(C(=O)N3CCc4c(-c5ccccc5)nn(C)c4CC3)cc2n1 1857674671 SKUBCVOVEJPOGU-UHFFFAOYSA-N 400.486 2.988 0 50 HFAA O=C(c1ccc(N2CCOCC2)nc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857697294 NVVZOUPPQFJTHE-UHFFFAOYSA-N 403.486 2.549 0 50 HFAA CN1c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2C(C)(C)S1(=O)=O 1875360269 DFBQKIDBLPSEFV-UHFFFAOYSA-N 400.456 2.919 0 50 HFAA CN(C)C/C=C/C(=O)NCC1(C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1875376974 OOAGJXQTQPUGMB-VOTSOKGWSA-N 409.571 2.664 0 50 HFAA COc1cccc([C@@H](N=c2ccc3nnc(-c4ccccn4)n3[nH]2)c2nccn2C)c1 2325840272 VXPNHJOGZJQTQA-HXUWFJFHSA-N 412.457 2.552 0 50 HFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc12 889656 ZPWADJQEABWEAR-UHFFFAOYSA-N 423.538 2.955 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(C)c2)cc1 1169846 UUUYDPWCTWQFHF-IBGZPJMESA-N 402.516 2.794 0 50 HFAA CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 4868265 GDPNYNQDBKZETO-UHFFFAOYSA-N 405.863 2.969 0 50 HFAA CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2c(C)noc2C)cc1 5026295 PNYRQMVOLZCROR-ZDUSSCGKSA-N 409.508 2.800 0 50 HFAA COc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1OC 11815162 IFNBELHTFUDLRH-SFHVURJKSA-N 415.538 2.878 0 50 HFAA O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCC(N2CCSCC2)CC1 12307363 USRFQNASTPBIAA-UHFFFAOYSA-N 404.511 2.781 0 50 HFAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1CCCN(CCc2ccccc2)C1 12316311 RZAMGTJVVYLRFC-FQEVSTJZSA-N 406.530 2.742 0 50 HFAA CCn1nc(C)c(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)c1C 12431897 TZKBWHGXCQQDMN-IBGZPJMESA-N 412.534 2.626 0 50 HFAA O=C(NC[C@H]1CCC2(CCN(CCCc3ccccc3)CC2)O1)c1cc[n+]([O-])cc1 15070795 MVMJOMSQFNATSB-JOCHJYFZSA-N 409.530 2.696 0 50 HFAA CC[C@H](COC)NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 20781658 YKAQVUZZNRSSEC-HXUWFJFHSA-N 402.583 2.608 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccccc3)C2)n1 44900453 CNUVSFRMYSPVTK-NRFANRHFSA-N 423.444 2.658 0 50 HFAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)CN3C(=O)CNC3=O)cc(Cl)cc12 77356924 PNSNIAPZMBAPIM-UHFFFAOYSA-N 410.861 2.965 0 50 HFAA Cc1ccn(-c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)n1 82230343 SRBUWORWJCQDSW-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 96900606 BWNOUZJRXJKPTO-GGAORHGYSA-N 419.525 2.502 0 50 HFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)nn2)n1 169777976 CLWGRADPJDWGHB-CYBMUJFWSA-N 406.368 2.997 0 50 HFAA COc1ccc(Br)c(C(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 170591272 PJNJUBJFORUBAU-SUMWQHHRSA-N 408.296 2.920 0 50 HFAA COC(=O)[C@@](C)(NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(Cl)c(Cl)c1 170599515 HLGVXXUOTBFCEU-SFHVURJKSA-N 422.272 2.866 0 50 HFAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225708997 RLWVJHFTCFYGGN-UXOAXIEHSA-N 420.874 2.984 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239165179 NQNYDNRDUOUPNV-BXGJLEAFSA-N 422.481 2.634 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(OC)cc4OC)c3CO2)cc1 263617928 QLRWXICCZRKCJX-LJQANCHMSA-N 410.430 2.828 0 50 HFAA O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)N1CCO[C@@H](c2ccccc2)C1 334160818 MYQCPNDKKAVRNP-FGZHOGPDSA-N 408.498 2.967 0 50 HFAA O=C(CCn1ccccc1=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 683641207 PITQLFGQRRDFHU-UHFFFAOYSA-N 410.392 2.959 0 50 HFAA COCCN([C@H]1CCO[C@@H]1C)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 685598362 SMIUITLVHQAXID-KDOFPFPSSA-N 417.487 2.704 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(Cc1ccccn1)C[C@H]1CCCO1 952964942 CCZCUGRKZZOHQC-MRXNPFEDSA-N 402.476 2.605 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@]4(CC3)CN(C)C(=O)O4)o2)c1C 1506408892 NEAPUHUCGALLCV-SFHVURJKSA-N 409.464 2.547 0 50 HFAA N=c1ccc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3ccc4ccccc4n3)C2)c[nH]1 1857676827 MKZFVIMXRRWTMX-QAPCUYQASA-N 403.486 2.761 0 50 HFAA Cc1ncc(C)c(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857694753 WHIIRVHRLCJFCK-FQEVSTJZSA-N 414.481 2.508 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356134175 BXKJFQSNFZQWEG-HSZRJFAPSA-N 401.470 2.822 0 50 HFAA CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1Cl 1050980 GSQUVYZQWUYUCD-VIFPVBQESA-N 415.726 2.708 0 50 HFAA COC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 10112591 SYRSIRMJZCMROF-UHFFFAOYSA-N 402.472 2.513 0 50 HFAA COc1ccc(OCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCc2cccc(C)n2)cc1 11881630 ITDPWDHPJCKKBX-OAQYLSRUSA-N 423.513 2.723 0 50 HFAA CN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 12304034 DDKMBSRDGDPANP-FQEVSTJZSA-N 410.543 2.957 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1 12307325 JTSOFOPQPUJUQZ-QFIPXVFZSA-N 400.498 2.891 0 50 HFAA O=C(c1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 14538145 UHWVGJPOONFLIV-OAQYLSRUSA-N 408.502 2.679 0 50 HFAA CC(=O)CCC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14538642 CSJJCDNQQSCXRH-OAQYLSRUSA-N 400.519 2.945 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc(C)c2)c1=O 15072658 VZCWGMHUKUIQBE-UHFFFAOYSA-N 403.482 2.689 0 50 HFAA O=C(NCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 16115756 WIBNJHBDKKVZMU-LFIBNONCSA-N 423.694 2.982 0 50 HFAA CSc1ccc2c(c1)CCN(Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)C2 19771026 JWRZCKDIBYPEJF-GOSISDBHSA-N 421.588 2.746 0 50 HFAA COc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 20454923 HGGVPCWNVXRXAF-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA Cc1nnc(CN(C)Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)o1 23580587 PEXMMNBCRVAOEG-NRFANRHFSA-N 410.518 2.882 0 50 HFAA C[C@@H](Cn1cncn1)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67872399 YZTDPKQVMIROEH-KRWDZBQOSA-N 408.506 2.539 0 50 HFAA C[C@@H](c1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c1)N(C)C 71752214 LRJODEMHKCJZRS-HNNXBMFYSA-N 418.515 2.695 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cc3ccccc3oc2=O)n1 72441471 TUZJJNYUPRMUPS-UHFFFAOYSA-N 407.474 2.724 0 50 HFAA CCc1c(C)sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C(=O)N1CCOCC1 101441085 YHFJHTLJRUEAGH-SDADXPQNSA-N 418.515 2.553 0 50 HFAA CN(C(=O)CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1 169757854 SFQWBXCTCBSTBY-IBGZPJMESA-N 411.845 2.880 0 50 HFAA Cc1[nH]ncc1CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 170613052 GKHUUEHFPHMZEP-KRWDZBQOSA-N 415.542 2.882 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 253623578 AZCNJEFLSOQGST-CHQQOGHTSA-N 404.503 2.641 0 50 HFAA CCCC[C@H]1CN(CCNC(=O)c2cnc3ccccn3c2=O)Cc2ccccc2O1 299766005 AKNGOHGAGNITCV-IBGZPJMESA-N 420.513 2.878 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 483586401 WOWDHIMXPHDUDW-LPHOPBHVSA-N 419.485 2.563 0 50 HFAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)C1(N2CCOCC2)CCCCC1 828924899 DOXGPQWWENUKHN-FQEVSTJZSA-N 401.551 2.508 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2CCCN(c3nc4ccccc4o3)CC2)c1C 2100540082 CIYIVCVIRNGYQR-UHFFFAOYSA-N 409.490 2.973 0 50 HFAA O=C(N=c1cc[nH]cc1NS(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 2325749959 VZPLBEOHJLIKIS-UHFFFAOYSA-N 403.410 2.976 0 50 HFAA O=C(c1occc1-c1ccccc1)N1CCN(C(=O)[C@H]2CC[C@]3(CCOC3)O2)CC1 2325827428 FTMVDMYXYDWLHN-AUSIDOKSSA-N 410.470 2.569 0 50 HFAA O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899718 VSWMHKUMBUKHFX-UHFFFAOYSA-N 410.495 2.752 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 4742571 ZBXQOTRXSWJKIX-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA CN(C)S(=O)(=O)c1cc(C(=O)NCCOCC(F)(F)F)c(Cl)cc1Cl 12413982 ADZUPXQIFFZAIR-UHFFFAOYSA-N 423.240 2.552 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 15064696 KSCOACXWJOOFLV-IBGZPJMESA-N 407.942 2.796 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17093213 LXLXHBIYWITRBZ-OALUTQOASA-N 422.547 2.534 0 50 HFAA CC(C)OCCCNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20451864 GKLUIEYGVDGQQV-UHFFFAOYSA-N 400.523 2.537 0 50 HFAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 20599141 GBVNAJOUSNNIMU-HNNXBMFYSA-N 417.941 2.594 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 21793801 NXDCSLJYSQZDKA-UHFFFAOYSA-N 423.561 2.882 0 50 HFAA Cc1nnc(CN(C)Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)o1 23580585 PEXMMNBCRVAOEG-OAQYLSRUSA-N 410.518 2.882 0 50 HFAA Cc1cccc(N2CCN(CCC(=O)NCc3n[nH]c(-c4ccccc4)n3)CC2)c1 95371307 DOVWJBRRYWSXRH-UHFFFAOYSA-N 404.518 2.609 0 50 HFAA CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 138905845 RYGSSSGJAXNPNZ-IYVPYFHTSA-N 403.431 2.725 0 50 HFAA O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772833 MDAZVCAUDMIJJA-AWEZNQCLSA-N 402.458 2.541 0 50 HFAA COc1ccc(C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)cc1F 169775935 SNIFJNXBPKCDQL-UHFFFAOYSA-N 410.409 2.980 0 50 HFAA O=C(NCC[C@H](O)C(F)(F)F)c1ncc(Br)cc1Br 225584662 VHUZPCIVFOAKJR-ZETCQYMHSA-N 405.996 2.650 0 50 HFAA CCN(CC)C(=O)[C@@H](C)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 239667194 BPHVFFABIFIOBQ-CQSZACIVSA-N 420.355 2.704 0 50 HFAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 247832778 HZUAFMAHJJKZTE-CMOCDZPBSA-N 416.477 2.791 0 50 HFAA Cc1cc(C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)c2c(O)nn(C)c2n1 446604458 LPOIDJQWQFYZBE-HNNXBMFYSA-N 416.485 2.881 0 50 HFAA O=C(COC(=O)c1cncs1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 919040946 FXLFDPBNTXPLFD-UHFFFAOYSA-N 420.443 2.911 0 50 HFAA Cc1ncnc(N2CCN(C(=O)CCSc3ccc4c(c3)OCCO4)CC2)c1C 952964708 DCLRFWDVTKZEHJ-UHFFFAOYSA-N 414.531 2.696 0 50 HFAA O=C(c1ccnc(NCCNS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCC1 1529181965 SDBULWHCZACBNO-UHFFFAOYSA-N 422.938 2.752 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)N2CCOc3ccccc3C2)CC[C@@H]1NC(=O)C1CC1 1857707255 KKIGWPSZPJJGSK-CUWPLCDZSA-N 400.519 2.898 0 50 HFAA CCc1ccc(S(=O)(=O)Nc2ccccc2N=c2ccn(C)[nH]2)cc1C(=O)O 1875336134 SSUMUHNDCIKLGG-UHFFFAOYSA-N 400.460 2.647 0 50 HFAA CN(C)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1 1940197422 PDTQTLTXPPDORK-UHFFFAOYSA-N 418.497 2.988 0 50 HFAA COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 597739 HJUAKZYKCANOOZ-HNNXBMFYSA-N 414.333 2.911 0 50 HFAA biogenic,investigational Cc1ccccc1C(=O)N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl 808687 HKWBQUKZMKYJDD-CYBMUJFWSA-N 410.754 2.628 0 50 HFAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 863588 ISBGZAKHDBAHOP-UHFFFAOYSA-N 406.504 2.613 0 50 HFAA COc1cccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)CCC2=O)c1 1078455 AZHFKAWNCRZVJU-UHFFFAOYSA-N 400.818 2.738 0 50 HFAA CCN(CC(=O)NCCc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 2870382 GMZZEDOXCSDECE-UHFFFAOYSA-N 410.923 2.718 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 4427821 YJYWWSJLISLHTE-LJQANCHMSA-N 412.486 2.957 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 4863909 AIGTYPNKWRZIEJ-UHFFFAOYSA-N 422.547 2.585 0 50 HFAA CC1=CCN(S(=O)(=O)c2ccccc2)/[S@@](=N/S(=O)(=O)c2ccccc2)C1 4954853 UZAAINDMENHARR-DEOSSOPVSA-N 410.542 2.743 0 50 HFAA Cc1cc(C)cc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 5077720 NCWBNEAJANDXRP-UHFFFAOYSA-N 416.543 2.899 0 50 HFAA COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 11879108 CVBHRFXFXQZLQN-OAHLLOKOSA-N 402.470 2.843 0 50 HFAA COc1cccc(CNCc2cc(F)ccc2C)c1OC[C@H](O)CN1CCOCC1 11956766 ZMSJSZMHKWNDPC-OAQYLSRUSA-N 418.509 2.504 0 50 HFAA Cc1ccc2c(c1)CN(CCC(=O)NCCc1nc(-c3cccnc3)n[nH]1)C[C@@H](C)O2 12040191 NXLIPWBESDSWQO-QGZVFWFLSA-N 420.517 2.507 0 50 HFAA CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 12433844 FFAIHGLMFPLYRA-KRWDZBQOSA-N 406.408 2.991 0 50 HFAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccccc2OC)C1 12752914 BLEACFHHSBKHCD-ZDUSSCGKSA-N 423.512 2.827 0 50 HFAA CC[C@@H](COC)NC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCC2)c1=O 14974186 CCGFRBHYSVKOJS-KRWDZBQOSA-N 405.539 2.675 0 50 HFAA COCC(=O)Nc1cc(CNC(=O)c2ccc3ccccc3n2)cc(C(=O)OC)c1 14988106 JNTZAKUIQMHZGF-UHFFFAOYSA-N 407.426 2.536 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(=O)N(C)C 15075903 KIZGYMLOMAWGQS-HXUWFJFHSA-N 403.567 2.667 0 50 HFAA O=C(CN1CCOC1=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 15078983 YHHVDSRCIWDYLZ-FQEVSTJZSA-N 414.550 2.907 0 50 HFAA COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC 18170103 PSLZAHOPKIXIFC-UHFFFAOYSA-N 413.455 2.686 0 50 HFAA COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1OC 20149300 MGNQVVLEXCINKX-UHFFFAOYSA-N 421.497 2.981 0 50 HFAA Cn1cnnc1SCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 39430507 HRWAVIKYAIMWLA-FQEVSTJZSA-N 403.527 2.561 0 50 HFAA COc1ccc(/C=C/CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc1 105278813 KODRBOFEFKNKTJ-NVIZVJJSSA-N 401.595 2.950 0 50 HFAA Cc1cn2nc(C(=O)NCc3ccc(F)cc3F)cc2c(N2CCSCC2)n1 169768826 JFNJACYYXMQJJX-UHFFFAOYSA-N 403.458 2.799 0 50 HFAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 225624355 UKYAFHUFLDSEGQ-MZLICYQSSA-N 412.530 2.930 0 50 HFAA COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 252498569 REYYXOMMOKRMDB-SFHVURJKSA-N 415.515 2.775 0 50 HFAA O=C(NCc1ccccn1)c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2 263617370 NKMJBFURNQSNAG-INIZCTEOSA-N 414.263 2.637 0 50 HFAA COc1ccc(CCN[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)cc1OC 263619075 WTGIPNNRXXBCSO-JOCHJYFZSA-N 406.486 2.950 0 50 HFAA Cc1cccnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299785737 LLMNXQXIAOFDMD-OAQYLSRUSA-N 413.493 2.800 0 50 HFAA O=C(Cn1cc(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cn1)NC1CCCCC1 462832747 HIVSPHQVJIKFIV-UHFFFAOYSA-N 408.502 2.725 0 50 HFAA CCC(=O)N[C@@H](C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 475355980 RLCQQXIJGPCZHN-VQIMIIECSA-N 424.419 2.829 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c(F)c1 1857685710 QPJDVSDQCORFHT-CQSZACIVSA-N 404.467 2.860 0 50 HFAA COc1ccc([C@@H](CNC(=O)NCc2cccc(C(=O)NC3CC3)c2)N(C)C)cc1 2325701011 LUADBSUDVZPCNB-OAQYLSRUSA-N 410.518 2.690 0 50 HFAA Cc1nc(CCNC(=O)[C@H]2CC[C@H](C(=O)NCCc3nc(C)oc3C)CC2)c(C)o1 2325727436 DIJQCNMDPXNETC-IYARVYRRSA-N 416.522 2.720 0 50 HFAA Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(F)c1 2325819545 IGKAHGMGYOUXCW-MAUKXSAKSA-N 418.490 2.690 0 50 HFAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C)c3F)C2)CCC1=O 2325864074 FWZKZAOHEWQJOI-IAGOWNOFSA-N 403.498 2.504 0 50 HFAA CO[C@@H](C)c1n[nH]c(=Nc2cnc(SC)n(CCc3ccccc3)c2=O)s1 2356140025 QJXXTGCQZUPZHY-LBPRGKRZSA-N 403.533 2.932 0 50 HFAA COc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 832098 OAOOHJOVIDKLII-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 1111113 FJVZSOMQQZUVBU-UHFFFAOYSA-N 414.842 2.670 0 50 HFAA COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1 1111811 BKXMEPZMWIZTIS-UHFFFAOYSA-N 412.471 2.912 0 50 HFAA COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1OC 1121962 ATTFUXWIOHOUAK-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA COc1ccc(CCNS(=O)(=O)c2cc(/C=C/C(=O)O)ccc2C)cc1OC 1184522 JAVDWKUOYKUUQF-VQHVLOKHSA-N 405.472 2.631 0 50 HFAA Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 5254206 SGVVHTJVADTFMM-UHFFFAOYSA-N 400.548 2.641 0 50 HFAA CCOc1ccc2nc(SCc3nc(N)nc(N4CCOCC4)n3)sc2c1 5953753 KYLLVURDBFJKBD-UHFFFAOYSA-N 404.521 2.591 0 50 HFAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)C1=O 12003059 YLPMNSLEEPIKIJ-ZDUSSCGKSA-N 406.891 2.625 0 50 HFAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 12405989 UQDDMMQNQKZNQE-GOSISDBHSA-N 413.499 2.731 0 50 HFAA COC(=O)CCCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 12746095 JKSURTGOKNTPAJ-IBGZPJMESA-N 421.557 2.771 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 19794854 LOXSGRKDXXAGQV-KRWDZBQOSA-N 411.468 2.764 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3cc(F)ccc3F)C[C@H]2C(=O)NCC)CC1 19836482 DWMDIIGJAONJDX-RXVVDRJESA-N 408.537 2.508 0 50 HFAA O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860264 FTOJZRCPJALPJT-KRWDZBQOSA-N 407.923 2.593 0 50 HFAA O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N1CCc2c(Cl)cccc2C1 20515194 CKORUXPRTVZTDD-QFIPXVFZSA-N 423.944 2.583 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCCCc1ccccc1 55132615 RTBFURYMEJAEAC-FQEVSTJZSA-N 417.912 2.919 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n[nH]c2=O)cc1 169779790 FZSBKVBPQGYBLD-UHFFFAOYSA-N 406.442 2.618 0 50 HFAA Cc1cccc(N(CC(=O)NCCOc2cccc3cccnc23)S(C)(=O)=O)c1 827825784 RVUYABCODGUEPB-UHFFFAOYSA-N 413.499 2.504 0 50 HFAA Cc1cnccc1N1CCCN(C(=O)CCCc2nc(-c3cccnc3)no2)CC1 952973973 CCITVKAGBUCCKL-UHFFFAOYSA-N 406.490 2.897 0 50 HFAA O=C(CCc1ccncc1)N1C[C@@H]2CN(CCSc3ccccc3)C[C@@]2(CO)C1 1772712601 VCPFHOHCJNVXQV-REWPJTCUSA-N 411.571 2.559 0 50 HFAA CC(=O)N1C[C@H]2CN(C(=O)c3cc4ccc(Cl)cc4n3C)C[C@@]2(CCC(=O)O)C1 1772814293 RBDIAEZAXSHLSM-YCRPNKLZSA-N 417.893 2.617 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1scnc1C)C2 1857694398 AICYLFDXEXRXAP-LVCYWYKZSA-N 407.580 2.708 0 50 HFAA O=C(c1ccnc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1)N1CCCC1 1857697477 AXKXSXUGNIFWHY-HSZRJFAPSA-N 406.486 2.571 0 50 HFAA CCCC(=O)N1CCC[C@@H]1c1nc(-c2cccc(N(C)C)n2)nn1CC(C)(C)CO 1875340772 QUANKXIZHJCWSQ-QGZVFWFLSA-N 414.554 2.888 0 50 HFAA Cc1sc2nc(-c3cccnc3)nc(N3CCN4[C@H](CCS4(=O)=O)C3)c2c1C 1875359864 RKVLSLOPWAGFBG-OAHLLOKOSA-N 415.544 2.594 0 50 HFAA Cc1ccc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1C 2082943384 LENXBGOLHLBIFI-INIZCTEOSA-N 410.495 2.608 0 50 HFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)Nc2cccc3c2cnn3C)CC1 2325749607 DATBOULSWIVAPH-INIZCTEOSA-N 405.502 2.854 0 50 HFAA CCc1c(-c2ccccc2)n(Cc2ccco2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 973939 SFKNZRYWNJJBNH-UHFFFAOYSA-N 403.442 2.557 0 50 HFAA CCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1049044 CRRLBPMGPKQXIV-UHFFFAOYSA-N 417.531 2.681 0 50 HFAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 4660749 YHCIAOWCNGYCHE-UHFFFAOYSA-N 403.197 2.790 0 50 HFAA O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 6414443 RURVSMAMKSAZQD-UHFFFAOYSA-N 407.710 2.948 0 50 HFAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCCN(CCc2ccccc2)C1 11954625 IYOVLFUMEWCTFC-FQEVSTJZSA-N 404.514 2.610 0 50 HFAA CN(CCc1cnn(C)c1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12099451 WEKHAJCNKULEEK-KRWDZBQOSA-N 418.925 2.858 0 50 HFAA COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 12417686 HKGCKYXPOCZAMH-UHFFFAOYSA-N 421.431 2.797 0 50 HFAA NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 13944772 AXXIPKIGLOABCM-HNNXBMFYSA-N 424.888 2.950 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1Cl)C2 14531518 WETXAJJLQQRBKR-OAHLLOKOSA-N 404.967 2.910 0 50 HFAA O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)Nc1ccc2c(c1)OCCO2 16648806 DLMYNVHBDWPLDP-HNNXBMFYSA-N 404.426 2.918 0 50 HFAA CNC(=O)[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1 20351338 KGOYFNQJWZOZNP-RPWUZVMVSA-N 406.574 2.630 0 50 HFAA O=S(=O)(c1ccc(F)cc1)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12 22108811 WRBAVGAVJBAXBA-UHFFFAOYSA-N 404.466 2.949 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3cc(F)ccc3F)C[C@H]2C(=O)NCC)CC1 23362068 DWMDIIGJAONJDX-NQIIRXRSSA-N 408.537 2.508 0 50 HFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 40456674 AQKVPXFKSGCQHL-UHFFFAOYSA-N 405.314 2.691 0 50 HFAA in-vitro Cc1nnnn1CC(=O)Nc1nn(Cc2ccccc2)c2cccc(OC(C)C)c12 72411528 QJMSQPAXCJOHNL-UHFFFAOYSA-N 405.462 2.805 0 50 HFAA CCc1noc(CN(C)Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)n1 95530443 MTSYBWYTDZCMKE-IBGZPJMESA-N 402.539 2.880 0 50 HFAA O=C1C[C@@H](C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)c2ccccc21 299766938 DZYMYEHAQPOIQS-FXAWDEMLSA-N 422.481 2.920 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 409642834 DYRFYGIUKDZYMU-UHFFFAOYSA-N 403.442 2.822 0 50 HFAA O=C(CNc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)N1CCCC1 443463941 JVVIEKIGNGADRV-UHFFFAOYSA-N 405.545 2.529 0 50 HFAA COc1ccccc1-n1cc(CNC(=O)COCc2nc3ccc(F)cc3[nH]2)cn1 670462618 ZPXGXKKXIBQVLN-UHFFFAOYSA-N 409.421 2.729 0 50 HFAA CC1(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)CC1 1772710219 PHACYPHIXCZNHP-HNNXBMFYSA-N 403.910 2.554 0 50 HFAA CCc1nc(CN2CCOC3(CCN(c4nccnc4C)CC3)CC2=O)cs1 1857687662 YNRLTYJPIALWQZ-UHFFFAOYSA-N 401.536 2.592 0 50 HFAA O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1nn(-c2cccc(F)c2)ccc1=O 1875257644 JKDJZUSOQGWFAQ-OAQYLSRUSA-N 403.413 2.988 0 50 HFAA O=C(NS(=O)(=O)c1ccc2ncnc(O)c2c1)c1cccc(-c2ccccc2)n1 1875350961 GMWKULHEHGYGFS-UHFFFAOYSA-N 406.423 2.516 0 50 HFAA CC(F)(F)c1cncc(C(=O)N[C@@H](Cc2cncc(Br)c2)C(=O)O)c1 2325868980 SWEUDKUVJIPKFX-ZDUSSCGKSA-N 414.206 2.777 0 50 HFAA CN(CC(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1)C1CCCC1 2356149905 DZGBYPLDZKQLOR-NFBKMPQASA-N 402.535 2.548 0 50 HFAA O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)S)CC3)c(F)cc2c1=O 1089984 PLRXFUMGHNAKOJ-UHFFFAOYSA-N 407.492 2.510 0 50 HFAA CCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@]12C(=O)N(C)c1ccccc12 6624041 LLCWKWTZRHBEFP-HSZRJFAPSA-N 404.470 2.984 0 50 HFAA biogenic C[C@@H]1CN(CC(=O)N2CCN(Cc3ccccn3)CC2)Cc2cc(Cl)ccc2O1 11790589 CJHWHFXLSFHTQC-QGZVFWFLSA-N 414.937 2.662 0 50 HFAA CC[C@@H]1CN(CCNC(=O)Cn2ncc3ccccc32)Cc2cc(OC)ccc2O1 12450517 WCNXKRKTGXMBBZ-LJQANCHMSA-N 408.502 2.834 0 50 HFAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12586415 JJALNJIHWGPKTG-IBGZPJMESA-N 408.546 2.897 0 50 HFAA Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2ccnn2C)C1 14985333 ZCLKLVHCZAZMCT-CVEARBPZSA-N 401.536 2.809 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccc[n+]([O-])c3)cc2)n1 15071376 GRZFPMVFIQAMEZ-OAQYLSRUSA-N 419.485 2.756 0 50 HFAA COc1cccc(CN2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)c1 20274266 QDXAIXWVHVEXSA-UHFFFAOYSA-N 419.323 2.609 0 50 HFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nn(-c3ccc(F)cc3)c1C)C2 95383195 HCWONIGJAGEWIO-YLJYHZDGSA-N 400.498 2.811 0 50 HFAA CCC(=O)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 95528632 RYHYNSBUCBZXFP-FQEVSTJZSA-N 410.470 2.817 0 50 HFAA CCc1noc(-c2ccn3c(CNC(=O)CCc4cccc(OC)c4)nnc3c2)n1 169776170 MMBGBBDVGRGADU-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA CCn1c(SCc2ccccc2S(N)(=O)=O)nnc1-c1ccccc1OC 253427542 NCOPDWYAFOEYRB-UHFFFAOYSA-N 404.517 2.913 0 50 HFAA CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cs1 428024412 UWODNXLCUHJTOW-UHFFFAOYSA-N 401.492 2.750 0 50 HFAA O=C(CCc1nc2ccccc2[nH]c1=O)N[C@H]1CCCN(Cc2ccccc2F)C1 670461977 WEFDAVDIEDFGFY-KRWDZBQOSA-N 408.477 2.776 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 827654457 NRIUBXNEMSIANT-NRFANRHFSA-N 405.458 2.565 0 50 HFAA O=C(CN1CCOc2ccccc2C1)NCc1ccc(C(=O)N2CCCCC2)cc1 952971784 LEUNUKLPKAOBRU-UHFFFAOYSA-N 407.514 2.824 0 50 HFAA CCN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1 952984555 XSPSCJVQIBTVJR-QFIPXVFZSA-N 412.555 2.894 0 50 HFAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 1875371476 CCRGFCUWOWQLEH-IBGZPJMESA-N 401.470 2.738 0 50 HFAA COc1c[nH]c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O 2356142169 HENQIDFZOSUBOP-XMMPIXPASA-N 416.481 2.961 0 50 HFAA CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1 4477095 UDFDAAVLLCLNEY-DYESRHJHSA-N 423.513 2.942 0 50 HFAA Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4)C3)ccc21 8609506 CHUCJWXAKSRFHQ-LJQANCHMSA-N 411.527 2.895 0 50 HFAA Cc1ccc(CNc2ncnc3sc(C(=O)N4CCC[C@@H](C(N)=O)C4)c(C)c23)o1 12132225 PSUDQTMWPALCRC-CYBMUJFWSA-N 413.503 2.851 0 50 HFAA COC(=O)[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 12428111 YGFNCFGLKQFTIY-QGZVFWFLSA-N 421.482 2.639 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n(C)n1 14733052 SFBTYHXSJIAVFN-OAQYLSRUSA-N 424.545 2.931 0 50 HFAA CCCNC(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 14981503 AJFLZBNZERNNHB-FQEVSTJZSA-N 400.567 2.641 0 50 HFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)o1 14990276 YHCZFRFMNTUNTD-UHFFFAOYSA-N 423.517 2.623 0 50 HFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2CCOC2=O)C1 15064982 FEYRXMFLFCRZBZ-FQEVSTJZSA-N 408.882 2.507 0 50 HFAA O=C(c1cc(S(=O)(=O)N2CCCCC2)cs1)N1CCN(c2ccccc2)CC1 16651755 HFWLGNONDGNBMD-UHFFFAOYSA-N 419.572 2.885 0 50 HFAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)[C@H]1CCCC[C@H]1C(=O)O 17092275 NBOUAFWGZWAPKT-UONOGXRCSA-N 420.531 2.929 0 50 HFAA CC(C)c1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 19800488 KBMMLLYFYFRQPV-UHFFFAOYSA-N 415.559 2.779 0 50 HFAA CCNc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc(C)n1 65362676 AXUQGEGBCXLNBD-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA Cc1nc(Nc2ccc(NC(=O)c3snnc3C)cc2)cc(N2CCOCC2)n1 67630213 ZRMSTMYTKZNHMX-UHFFFAOYSA-N 411.491 2.777 0 50 HFAA CC[C@H](CO)NC(=O)c1cn2cc(-c3cc(C)oc3C)n(CC=C(C)C)c(=O)c2n1 72407982 OOYDUKQDLVMLFR-MRXNPFEDSA-N 412.490 2.840 0 50 HFAA CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82117000 SMTKPQKTYIHMCR-LJQANCHMSA-N 413.591 2.873 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(OC)c4)n3n2)cc1 169778476 IXYUQCJHVOGYNL-UHFFFAOYSA-N 403.442 2.667 0 50 HFAA CCOC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)CC1(N2CCOCC2)CCCC1 225483245 VIMCKSCXDUMORR-FQEVSTJZSA-N 402.535 2.621 0 50 HFAA O=C(NCc1ccccc1)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)sc2c1CCC2 239377900 ODXAJUVPHCHZLB-OHDICMOHSA-N 422.506 2.834 0 50 HFAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 252444033 UDLSAKADJPPKSM-YJBOKZPZSA-N 407.470 2.969 0 50 HFAA C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 252497642 QLPHEINRRINEPW-SNVBAGLBSA-N 412.251 2.792 0 50 HFAA Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)ccc21 477934290 FIUJCCJDIHDJPV-KRWDZBQOSA-N 422.460 2.707 0 50 HFAA O=C(c1cnc(O)c2ccccc12)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857682786 SAUAMYVFDYCZPR-HSZRJFAPSA-N 403.438 2.830 0 50 HFAA C[C@]1(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)Cc2ccccc2C(=O)O1 1875257097 XEQRWMNHJNNNSG-PXDATVDWSA-N 418.493 2.734 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-n2ccnc2)nc1 1875264665 ISFIKUBQZTVQGX-LJQANCHMSA-N 404.430 2.543 0 50 HFAA COc1ncc(Br)cc1S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1 1875350194 DWMFFKTUPVRVNT-UHFFFAOYSA-N 419.684 2.554 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 1079059 ZNJAAESYXBFUAE-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA N=C(N)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2386102 QRELIJBJYZHTQU-IBGZPJMESA-N 410.474 2.632 0 50 HFAA in-vitro C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3233973 ZGPJIOACJZQOCU-OAHLLOKOSA-N 417.556 2.856 0 50 HFAA O=C(CCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 5936793 JSRQHCHPGXMMTE-UHFFFAOYSA-N 420.557 2.854 0 50 HFAA CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(O)cc2)NC(=O)N3C)cc1 6668389 RXFHATVALCQDFV-IBGZPJMESA-N 407.426 2.566 0 50 HFAA O=C1CCCN1CC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11817249 YBULKTMNROFCBO-QGZVFWFLSA-N 405.489 2.648 0 50 HFAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1C 11906638 BKYIDKZNWLJXCH-UHFFFAOYSA-N 410.517 2.734 0 50 HFAA COc1cccc(OC[C@H](O)CNC(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)c1 12278439 RAEXGYXSTPFITB-UZLBHIALSA-N 418.877 2.592 0 50 HFAA COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13736954 QIHNMORTFKEOBW-UHFFFAOYSA-N 403.460 2.613 0 50 HFAA CC(C)C[C@H]1C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@@H]2C(=O)N1C 14534517 FJOZSGRYDXGEJW-JKSUJKDBSA-N 412.317 2.533 0 50 HFAA Cn1nc(C(=O)NCCCN2CCN(c3ccccc3F)CC2)cc1C(F)(F)F 33321039 WUQFMBWNJPKYLG-UHFFFAOYSA-N 413.419 2.520 0 50 HFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c(OC)c1OC 39421363 GEJQMFVWKKFXSX-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA Cc1cccc(-n2ccnc2CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1 39454852 SHWMVJUSYDHDHH-HSZRJFAPSA-N 405.546 2.953 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)CC1 55133086 LJCAEJCZUJHBBP-VIOKTNGOSA-N 406.530 2.917 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101317999 WFMOHGIYKDRBIU-YFNVTMOMSA-N 400.478 2.721 0 50 HFAA Cc1cccc([C@H](NC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)O)c1C 225486711 LJVOHGMCOSHAFZ-KRWDZBQOSA-N 405.476 2.501 0 50 HFAA Cc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 253430461 ZPPJAAMIFVMJJR-FUHWJXTLSA-N 410.470 2.912 0 50 HFAA O=c1n(CCN2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)nc2ccccn12 328607522 WENIRADGZHZJLX-KRWDZBQOSA-N 408.437 2.912 0 50 HFAA COc1ccc(Cl)cc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670440761 DRKIRUPBPSRYKR-FCRSDJTPSA-N 411.933 2.646 0 50 HFAA Cn1nc2cccc(S(=O)(=O)NC[C@@H](c3ccccc3)N3CCCCCC3)c2n1 670446532 RMMSQWGXNZGVCH-IBGZPJMESA-N 413.547 2.864 0 50 HFAA Cc1ccccc1-c1cccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)c1 952985199 QNFXYQMOTPKMBX-UHFFFAOYSA-N 407.558 2.877 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(c2cccnc2)CC1 1857708113 VXRVGPUCDLHOCT-KRWDZBQOSA-N 406.490 2.573 0 50 HFAA CC(C)Cc1nc(-c2ccnn2C(C)C)n(-c2cc(S(N)(=O)=O)ccc2F)n1 2356163890 WAMAZAKIDZXXSF-UHFFFAOYSA-N 406.487 2.697 0 50 HFAA CCN1C=C(C(=O)OC)C(c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1 1170392 ONBAYSHCNDYYHZ-UHFFFAOYSA-N 424.247 2.711 0 50 HFAA CC(C)CCn1c2c(=O)nc(O)n(C)c2n2c(-c3c(F)cccc3Cl)nnc12 10964410 ZZQZVYFUIOBNEH-UHFFFAOYSA-N 404.833 2.989 0 50 HFAA CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)CCCCC1 12074880 OSHAXDSRGAJKTR-KRWDZBQOSA-N 401.507 2.593 0 50 HFAA COc1cccc(OC[C@H](O)CNC(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)c1 12278441 RAEXGYXSTPFITB-OXQOHEQNSA-N 418.877 2.592 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)N(CCO)Cc2ccccc2)o1 12455982 VYDONHZUORBCHI-UHFFFAOYSA-N 409.486 2.817 0 50 HFAA O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 14429791 VMWOJORKENJHRC-UHFFFAOYSA-N 414.405 2.979 0 50 HFAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccc(O)cc4)CC3)C2=O)cc1 14750863 XRQDWLVBNOZCPN-UHFFFAOYSA-N 409.486 2.830 0 50 HFAA CCN1CCN(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)CC1 20322208 WKJLJGMPWCRDEO-OAQYLSRUSA-N 409.578 2.948 0 50 HFAA CCN(CC)CCN(CC)Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC 22851490 JCDHIZCKHKXCFE-UHFFFAOYSA-N 416.632 2.513 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)c1 77299177 GJDPSCUCYQODQW-MTQWNXOMSA-N 417.509 2.639 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCOCC1 82121878 WMENPNDSWOYSRH-GOSISDBHSA-N 412.534 2.758 0 50 HFAA Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)c1 225433306 ZSGUDZNQDSPWJW-IRLDBZIGSA-N 407.514 2.506 0 50 HFAA COc1ccccc1NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252523128 BXMISHWSNJAQQH-GOSISDBHSA-N 406.442 2.873 0 50 HFAA COC(=O)c1ccc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)cc1 252537660 LZDFZGYXZDVLNC-MRXNPFEDSA-N 415.833 2.780 0 50 HFAA Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(S(=O)(=O)CC(=O)O)c1F 261494843 LMBKKRKJFOBJNR-UHFFFAOYSA-N 413.736 2.517 0 50 HFAA O=C1C[C@H](C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)c2ccccc21 299766939 DZYMYEHAQPOIQS-PXNSSMCTSA-N 422.481 2.920 0 50 HFAA O=C(CN1C(=O)COc2ccccc21)N1CCC(Cc2nc3ccccc3[nH]2)CC1 328591882 JIGKJSFNPQNHNW-UHFFFAOYSA-N 404.470 2.770 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H](CO)Cc3ccccc3)CCSCC2)o1 1776111638 IMFKXUWJWDLMEK-KRWDZBQOSA-N 417.527 2.529 0 50 HFAA O=C(O)[C@H]1CN(Cc2nc3ccccc3[nH]2)CC12CCN(Cc1ccncc1)CC2 1857702874 RYIHBGBXPSUGOT-GOSISDBHSA-N 405.502 2.757 0 50 HFAA O=C(Cc1noc2ccccc12)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857714557 DXQRIGMWCREDAR-NOXFTYBFSA-N 403.438 2.671 0 50 HFAA CN(C)[C@](C)(C(=O)NCCCNC(=O)[C@](C)(c1ccccc1)N(C)C)c1ccccc1 2325724272 ZNRQVEVQGZLWLG-DQEYMECFSA-N 424.589 2.563 0 50 HFAA Cn1cc(-c2nc(-c3ccnc(N4CCC[C@@H](O)C4)c3)no2)c(-c2cccnc2)n1 2325776743 RDKPGMMQXNUGNU-MRXNPFEDSA-N 403.446 2.555 0 50 HFAA CSCCNC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826425 ARLQOOMDQGNYNF-LJQANCHMSA-N 409.515 2.682 0 50 HFAA O=C(c1ccc2c(O)nncc2c1)N1CC[C@](O)(c2cccc(Br)c2)C1 2325869050 XGAZIAOZPRILHY-LJQANCHMSA-N 414.259 2.832 0 50 HFAA O=C1CC[C@H](N2Cc3c(NC(=O)c4ccccc4C(F)F)cccc3C2=O)C(=O)N1 2325895615 FISMPTFRCHKXPU-INIZCTEOSA-N 413.380 2.638 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncnc4)C3)[C@@H]3CCCC(=O)N23)c1 2356155841 OSAWUCJKLJBVER-KSCDAYEDSA-N 420.513 2.570 0 50 HFAA CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 1015554 WABSUZRKMBRAGJ-UHFFFAOYSA-N 403.342 2.909 0 50 HFAA CCOc1ccc(Cn2cc(NS(=O)(=O)c3cnn(CC)c3)cn2)cc1OCC 2804777 IJNHWMGDBDSDNI-UHFFFAOYSA-N 419.507 2.746 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2871828 OZXNLELFDQJJLF-CQSZACIVSA-N 420.462 2.652 0 50 HFAA COc1ccc(C(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 2953964 NTYSKRSTXHTNLF-SFHVURJKSA-N 401.484 2.973 0 50 HFAA COc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1OC 11815160 IFNBELHTFUDLRH-GOSISDBHSA-N 415.538 2.878 0 50 HFAA O=C(C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCc4sccc4C3)C2)CC1 12195284 FIIFKKMLRBMJEH-SFHVURJKSA-N 401.576 2.746 0 50 HFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CN2CCOC2=O)CC1 12612656 IJHMYDPHCWVSJJ-UHFFFAOYSA-N 417.550 2.844 0 50 HFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3snnc3C)C2)c1 14952818 VWUHTQVQQFMCNL-OAHLLOKOSA-N 402.520 2.804 0 50 HFAA COCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)CC1CCCCC1 20234593 DTWDLGAPLDSXOU-UHFFFAOYSA-N 410.540 2.504 0 50 HFAA Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c(C)o1 20452636 ZCQMYLZPIBWVSL-UHFFFAOYSA-N 415.444 2.754 0 50 HFAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)n1 72437272 NDVTVGQTAJOXMF-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C 77556369 NOSIVGGVCSCOJF-CIEVZJJWSA-N 403.482 2.643 0 50 HFAA COc1ccccc1CNC(=O)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169759857 XREVJAKRTNJSJY-OAQYLSRUSA-N 407.426 2.822 0 50 HFAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)cc1OC 169764112 AAGKEUNFXPFFST-UHFFFAOYSA-N 414.437 2.510 0 50 HFAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(C5CC5)n[nH]4)ccn3n2)c(C)c1 169775772 ABRUVQZOULGYGL-UHFFFAOYSA-N 416.485 2.810 0 50 HFAA COCCc1noc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)n1 225733818 OAPDZFJMHKXPGJ-DLBZAZTESA-N 402.495 2.751 0 50 HFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](C)CCc3ccccc3)N=C2O)cc1 252527643 DBQVUGAGFDRQSL-OXQOHEQNSA-N 409.486 2.848 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 409414663 NYCIXQRVEYXLSB-BOCKYXSRSA-N 413.518 2.779 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414715 VFTBHNFULQZKLJ-LAUBAEHRSA-N 412.534 2.617 0 50 HFAA biogenic COCC1CCN(S(=O)(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)CC1 670444435 YDMGDBWMCIRQCH-NRFANRHFSA-N 409.596 2.624 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccncc1)C[C@H]1CCCO1 952976608 WZBMSSMPJBBZGC-QGZVFWFLSA-N 404.488 2.613 0 50 HFAA Cc1cccc(F)c1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857712441 AZWZSTKVHISLGZ-FPOVZHCZSA-N 400.498 2.936 0 50 HFAA COCCC[C@@]1(CO)CN(C(=O)Cc2coc3c(C)c(C)cc(C)c23)CC[C@H]1O 1857739412 SEEYKQDYVFLCBR-XXBNENTESA-N 403.519 2.899 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 625085 HSEWQQQHWZHPOY-MTGKDYNDSA-N 422.481 2.937 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 692797 ZVGLDNGJPBZKRY-INIZCTEOSA-N 408.410 2.501 0 50 HFAA CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21 2876857 SHGQMUBZUJDXGE-UHFFFAOYSA-N 403.504 2.509 0 50 HFAA CCOc1ccc2nc(N3CCC(C(=O)NCCCn4ccnc4)CC3)nc(C)c2c1 12246462 XJVAOSUJVNSRAM-UHFFFAOYSA-N 422.533 2.956 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCC2CCCC2)cc1C 12439622 XRYXJGNYYVJGCL-FQEVSTJZSA-N 401.551 2.781 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2n1 13959247 NPMKARLPTSLAKF-PHIMTYICSA-N 422.411 2.706 0 50 HFAA O=C1CCCN1CCCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 15069724 ITOHRPBHOCWLNO-INIZCTEOSA-N 421.925 2.552 0 50 HFAA CCS(=O)(=O)c1ncc(CN2C[C@H](C)O[C@H](C)C2)n1CCCc1ccccc1 15075384 ZGEKHNLZLXDSGV-HDICACEKSA-N 405.564 2.919 0 50 HFAA Brc1ccc(OCc2cccnc2)c(CNCCN2CCOCC2)c1 23114587 QJBRNJJFMGWHAZ-UHFFFAOYSA-N 406.324 2.845 0 50 HFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598161 AULYPZKGWAPLEP-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA Cc1noc(C)c1CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82091609 YLLSXQFATPTLSK-HXUWFJFHSA-N 411.550 2.679 0 50 HFAA Cc1ccc2[nH]c([C@@H](C#N)C(=O)c3nc(N4CCCC4)ncc3Cl)nc(=O)c2c1 140594186 QVEUSOGETFFCDD-ZDUSSCGKSA-N 408.849 2.765 0 50 HFAA O=C(NCc1ccccn1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760249 HVTGJFUJUYDMGT-UHFFFAOYSA-N 413.481 2.748 0 50 HFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)n1 169777492 PXCHLPDEVVKDEC-UHFFFAOYSA-N 410.434 2.658 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)ccc1OC 170624294 QESMWSNNXJTCIK-SIFCLUCFSA-N 418.515 2.594 0 50 HFAA CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 225520400 CDVCGQLWGKMSPP-OAHLLOKOSA-N 424.272 2.633 0 50 HFAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253396951 BIHDBHLTHCBYIS-CYBMUJFWSA-N 400.383 2.916 0 50 HFAA biogenic O=C(O)CCNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240386 BCKCHAYBERZFOU-FQEVSTJZSA-N 408.454 2.991 0 50 HFAA N[C@@]1(C(=O)Nc2c[nH]nc2Br)CCc2c1ccc(F)c2Br 952879126 GSUMMQJPMKCTQV-ZDUSSCGKSA-N 418.064 2.813 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 952972601 KOCYEMHLLRDZRG-INIZCTEOSA-N 411.510 2.661 0 50 HFAA Oc1nc2ccccc2cc1CN[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 952987372 NHHHJFSPIITNSJ-JKJRPBHFSA-N 400.526 2.598 0 50 HFAA O=C(c1sccc1Cl)N1C[C@H]2CN(Cc3ccn4nccc4c3)C[C@]2(CO)C1 1772812241 JTVBDVPPOGDMPR-FOIQADDNSA-N 416.934 2.616 0 50 HFAA Cc1nc(C)c(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)o1 1857672182 AXEZFEQCPWGXMV-JOCHJYFZSA-N 405.458 2.969 0 50 HFAA CCOc1ccc([C@@H](CO)NC(=O)c2nc(=NCc3ccco3)[nH]cc2Cl)cc1 1875351129 LUFGQKFQOGOXMU-QGZVFWFLSA-N 416.865 2.619 0 50 HFAA COc1ccccc1[C@H]1[C@H](C(=O)NS(C)(=O)=O)CCC(=O)N1c1ccc(C)cc1 1875391123 RXFMNMLBQMPZFD-XLIONFOSSA-N 416.499 2.564 0 50 HFAA CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)NC(=O)CN2C 2325708748 UYLCNMKFHHYQKH-KSSFIOAISA-N 418.563 2.531 0 50 HFAA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c3cnccc23)CC1 2325819344 BNXPJDVBSNAWAF-UHFFFAOYSA-N 417.437 2.660 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)ccc21 2325889457 RCUKFJBBBIYEHW-UHFFFAOYSA-N 417.462 2.915 0 50 HFAA CN(c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1)S(C)(=O)=O 2356144588 FDAOWRFEYUKXCR-UHFFFAOYSA-N 420.556 2.848 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc2C)cc1 880151 GVCXCUQOIGLJQP-SFHVURJKSA-N 402.516 2.794 0 50 HFAA COC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 2850944 OEQDDLAOXVCLIA-UHFFFAOYSA-N 410.879 2.840 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1 4477093 UDFDAAVLLCLNEY-UTKZUKDTSA-N 423.513 2.942 0 50 HFAA CN(C(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1)c1ccccc1 19851991 BQSZMERLNRUJJR-UHFFFAOYSA-N 423.542 2.855 0 50 HFAA CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C[C@]2(CCOC2)O1 225443107 ITUBKFWUIJNTPR-BWKNWUBXSA-N 422.525 2.824 0 50 HFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cnc2ccccc2n1 241588561 PEBXVVBEAYAVJU-FQEVSTJZSA-N 409.471 2.699 0 50 HFAA CC(C)NS(=O)(=O)c1cccnc1N1CCC2(CC1)OCCc1ccsc12 432848533 VMMJCBONMJBALX-UHFFFAOYSA-N 407.561 2.898 0 50 HFAA O=C(Nc1ccc2c(c1)CCNC2=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 1476855245 QCXYZPGPFKRSKE-QGZVFWFLSA-N 412.877 2.943 0 50 HFAA Cc1cc(C)n(C2CN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)o3)C2)n1 1506415450 YFOSHJGVMSYCAE-UHFFFAOYSA-N 415.397 2.747 0 50 HFAA COCCCN(CC(=O)NCCc1ccc(OC)cc1)Cc1ccc(OC)cc1 1529168032 VVUZTNJQSRNPHL-UHFFFAOYSA-N 400.519 2.901 0 50 HFAA O=C(C1CCC1)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1704354716 IOJXZXDDOXCPAV-NFBKMPQASA-N 421.541 2.635 0 50 HFAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(Cc4ccc(F)cc4)CC3)CC2=O)s1 1857715826 KAWNQMLBZUXJMW-INIZCTEOSA-N 402.495 2.820 0 50 HFAA O=C1COc2cc(Br)cc(NCc3ncnn3-c3ccccc3)c2N1 1875320768 KEHNMCPLVXKYAI-UHFFFAOYSA-N 400.236 2.973 0 50 HFAA COc1cc2c(cc1F)CC[C@H]2NC(=O)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 2325701892 GZRZGPUXPNBYSB-QZTJIDSGSA-N 416.424 2.889 0 50 HFAA O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c2[nH]c(O)nc2c1 2325824053 NLOPSJYDEPHAGT-QGZVFWFLSA-N 410.861 2.768 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc(O)c1Cl)C[C@H]2O 2356150990 LULVITPAMODAOD-JWUVWSEFSA-N 400.906 2.758 0 50 HFAA Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@H]2C1 2777632 DQDRMGNXMWVQSW-NSHDSACASA-N 409.250 2.670 0 50 HFAA CC1(C)NC(=O)N(C[C@H](O)COc2ccc3ccccc3c2Br)C1=O 4801793 OKAWDOZJPGCTPH-LBPRGKRZSA-N 407.264 2.672 0 50 HFAA COc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(OC)cc2)cc1 5059942 DVLUYJXOHOWDGC-UHFFFAOYSA-N 413.518 2.576 0 50 HFAA CCCn1c2ccccc2c2cnn(CC(=O)N3CCC[C@H](C(=O)OCC)C3)c(=O)c21 6899995 OQOFNBKOUURDPX-INIZCTEOSA-N 424.501 2.563 0 50 HFAA O=C(c1nc2sccn2c1CN1CCN(c2ccccn2)CC1)N1CCCCC1 11664041 KUKKWDZACPWSJF-UHFFFAOYSA-N 410.547 2.739 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NCCCOc2cccnc2)o1 12431005 BPZGQGLEAYXRNZ-UHFFFAOYSA-N 410.474 2.776 0 50 HFAA O=C(O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(c3ccccc3)c3ccccc3)nc21 16696950 JGZVALGHHYRQFC-UHFFFAOYSA-N 419.397 2.542 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4OC)CC3)C2=O)cc1 18250483 IVTQBWBBHGTGCZ-FQEVSTJZSA-N 409.486 2.548 0 50 HFAA O=C(/C=C/c1cccs1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 19838829 HEMDCUJCKCXTNX-DVFFMCNPSA-N 415.534 2.684 0 50 HFAA O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCN1CCOC1=O 20449387 XEQRDVXNEDIMEF-UHFFFAOYSA-N 420.469 2.828 0 50 HFAA Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 20452321 XWNABOYXUHXGJM-UHFFFAOYSA-N 418.545 2.597 0 50 HFAA Cn1cc(CN2CCN(C(=O)c3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 20907668 LTQAQPWNLNYSIE-UHFFFAOYSA-N 424.526 2.878 0 50 HFAA CCCN1CCC(N[C@@H]2C[C@@H](C(=O)NC)N(Cc3ccc4ccccc4c3)C2)CC1 20998378 UWEFDTUDCCXGGB-RPWUZVMVSA-N 408.590 2.993 0 50 HFAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1 35375605 PZLWFOPWTMTBGK-UHFFFAOYSA-N 421.545 2.577 0 50 HFAA Cn1cc(-c2cc(C(=O)N3CCCN(c4ncccn4)CC3)c3ccccc3n2)cn1 63857760 DFAMAVPHNNHTAQ-UHFFFAOYSA-N 413.485 2.778 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 65365836 PBJLHJLBRRZEEC-UHFFFAOYSA-N 419.445 2.698 0 50 HFAA C[C@@H](CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)n1ccnc1 91626381 MNXHIWRNKNFUTR-NSHDSACASA-N 406.273 2.855 0 50 HFAA O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(C(=O)OC[C@H]2CCCN2)c1 170676798 XFCSWGMYLIWRRH-GOSISDBHSA-N 405.454 2.549 0 50 HFAA CCCCN(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 299757090 HORMDNRGMIEMPE-DEOSSOPVSA-N 407.514 2.970 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1)c1ccccn1 408521110 IWWGPZCZVGWJDX-UHFFFAOYSA-N 411.487 2.625 0 50 HFAA C[C@](O)(CNC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccsc1 740908935 DOSIBVYIOHNQOP-PXNSSMCTSA-N 403.504 2.573 0 50 HFAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c1=O 742946308 IOIZDBIQMCQSPU-LJQANCHMSA-N 411.477 2.706 0 50 HFAA O=C(CCC(=O)N1CCc2sccc2C1)N[C@@H](C(=O)O)c1cc(F)ccc1F 766955023 SKAAOGUBZYPIMN-GOSISDBHSA-N 408.426 2.633 0 50 HFAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H](c1cccnc1)N1CCOCC1 952968732 CZPWNIPOFYPHRV-OAQYLSRUSA-N 421.501 2.862 0 50 HFAA CN(CC1CCN(Cc2ccccc2)CC1)c1cc(C(=O)N2CCOCC2)ccn1 1529118411 KGTFJYMWSOLQOZ-UHFFFAOYSA-N 408.546 2.902 0 50 HFAA O=C(c1ccon1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2ncnc3ccsc23)CCO1 1857718597 MGOMAFPWAHTNSI-IKDJWVMYSA-N 411.487 2.722 0 50 HFAA CN(C)Cc1c(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)oc2ccccc12 2325745351 BMSQDDZDNCZPLM-UHFFFAOYSA-N 402.458 2.804 0 50 HFAA CCc1ccc(CNC(=O)c2ccc(=NCc3cnn(CC(F)(F)F)c3)[nH]c2)o1 2325825432 PTFLOKWQGYTVJF-UHFFFAOYSA-N 407.396 2.960 0 50 HFAA C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901707 UVBITKMOMHWLLM-YJYMSZOUSA-N 418.453 2.556 0 50 HFAA CCOc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 632213 DEZIPVVGSRQDID-QGZVFWFLSA-N 418.515 2.576 0 50 HFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(OC)c(OC)c(OC)c1Br 720134 ALTYBBRPPQNORC-VIFPVBQESA-N 414.252 2.525 0 50 HFAA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n(C)n1 2111374 KMOMDMRPGOECTI-UHFFFAOYSA-N 405.476 2.966 0 50 HFAA COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 2848185 VYPRAOQFXFIDRT-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)O)C(Cl)(Cl)Cl)cc1 3121978 RURNLGIPJMJCPU-SECBINFHSA-N 400.671 2.724 0 50 HFAA COc1ccc([C@@]2(CC(=O)N(C)[C@@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 12098406 VXXBLLMNRJQGSA-LHSJRXKWSA-N 415.515 2.696 0 50 HFAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCn2ccnc2C)CC1 12203529 BMEMQTMDEOTYBV-UHFFFAOYSA-N 404.898 2.665 0 50 HFAA Cc1nonc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14541340 QPQNQTOGTPTDFM-LJQANCHMSA-N 412.490 2.581 0 50 HFAA COc1ccc(-c2nn(-c3ccccc3)cc2CNCCN2CCNC2=O)c(F)c1 14969160 GLPDTAVPQHXPEE-UHFFFAOYSA-N 409.465 2.802 0 50 HFAA O=C(c1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl)N1CCOCC1 16579223 MQHWEEIBEIYFCR-UHFFFAOYSA-N 412.870 2.893 0 50 HFAA CCN1CCN(C[C@H](O)COc2ccc(CNCC3CCCCC3)cc2OC)CC1 20534717 ODUSGNMCSBLVAX-QFIPXVFZSA-N 419.610 2.742 0 50 HFAA CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3c(C)noc3C)ccc21 33270260 URVJLISISYLBOQ-KRWDZBQOSA-N 405.476 2.563 0 50 HFAA COC(=O)[C@H](CCSC)NCc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 39363082 IMOZPYRRFGKEPK-INIZCTEOSA-N 418.563 2.653 0 50 HFAA O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CC1 55072676 MLSNETVZULCWHV-JOCHJYFZSA-N 409.505 2.955 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 67601825 UCPNVUODHMZDHS-UHFFFAOYSA-N 404.518 2.758 0 50 HFAA COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)N[C@@H](C)C2CC2)c1=O 77343892 GIUOGWBLYLPYTQ-INIZCTEOSA-N 406.486 2.548 0 50 HFAA Cc1cccc(CN2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@H]2CCO)n1 104548855 VZMYBXJMIMKTKJ-GOSISDBHSA-N 403.910 2.841 0 50 HFAA O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N(Cc1ccccc1)c1ccccc1 328596583 DXZJTLJJFCEJEI-UHFFFAOYSA-N 411.465 3.498 0 50 HFAA Cc1ccc([C@@H](NC(=O)NCC2(CN(C)C)CCCC2)[C@H](C)S(C)(=O)=O)cc1 437852965 VVIDXFSJIWCGLY-HKUYNNGSSA-N 409.596 2.890 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)NCCOCC(F)F)CC2 472028185 DOFXASROZJLQRK-INIZCTEOSA-N 415.506 2.942 0 50 HFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@@H]2CSCCS2)c1 728835578 GDSCRVPMHIOWMN-SFHVURJKSA-N 401.557 2.966 0 50 HFAA CCN1C[C@@H](CN(C)C(=O)c2ccc(-n3nc(C)c4ccccc4c3=O)cc2)CC1=O 952990639 WUICDJLIDSXJFC-QGZVFWFLSA-N 418.497 2.635 0 50 HFAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCc1ccc(Cl)c(Cl)c1 1255269768 DINCAQRBSFJZDO-ZDUSSCGKSA-N 408.351 2.649 0 50 HFAA Cc1cc(C)n(C2CN(C(=O)c3c(N4CCOCC4)noc3-c3ccccc3)C2)n1 1704328547 LEKHVCZNDVSIAH-UHFFFAOYSA-N 407.474 2.689 0 50 HFAA Cc1c(-c2cn(C3CCN(C(=O)C[C@@H]4CC5(CCCC5)CO4)CC3)nn2)cnn1C 1875338363 VJBCTBCANHNPLB-GOSISDBHSA-N 412.538 2.890 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1 1875371891 OYTZXMIUYNLAGC-OLZOCXBDSA-N 400.401 2.653 0 50 HFAA CN(C)c1ccc(-c2ccnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1 2356166466 YTTIOMFWTLCFDC-UHFFFAOYSA-N 408.550 2.520 0 50 HFAA COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 652253 QAAXDQUWUHXBFP-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA COC(=O)Cc1csc(NC(=O)CSc2nnc3sc4ccccc4n23)n1 3242156 FMECMTUHCFEQAY-UHFFFAOYSA-N 419.513 2.847 0 50 HFAA Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 4810902 VKDBDAQYVVAOFT-UHFFFAOYSA-N 402.516 2.865 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 5069245 VTGHWZUHYAWLBY-SJLPKXTDSA-N 402.516 2.973 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10506970 RRTUQOPZMNYKKI-UHFFFAOYSA-N 418.423 2.718 0 50 HFAA CN(Cc1cnccn1)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 11816726 SBTIFKFEZTYDGH-DEOSSOPVSA-N 418.541 2.907 0 50 HFAA COCCn1c(CN(C)[C@@H](C)c2nccs2)cnc1S(=O)(=O)CC(C)(C)C 11936073 OOBACWUKYCOSMU-AWEZNQCLSA-N 414.597 2.999 0 50 HFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N[C@@H](C)c2nccs2)c1 11970442 VTLWKDCXYDQBCK-AWEZNQCLSA-N 413.503 2.797 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1cn[nH]c1)C2 12246887 XVEBUBUEKFCHCK-SNAWJCMRSA-N 407.499 2.703 0 50 HFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 14540746 VGUMLWJYHIORCO-SFHVURJKSA-N 417.550 2.780 0 50 HFAA O[C@H](COc1ccccc1CNCCCc1cccnc1)CN1CCSCC1 15065305 NZRBEQCHTWKTDU-NRFANRHFSA-N 401.576 2.593 0 50 HFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN2CCSCC2)C[C@@H](C)O1 15079326 DFILLGDTIYMCKQ-OKILXGFUSA-N 408.955 2.786 0 50 HFAA O=C(c1nc[nH]n1)N1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 15079671 ICQOJOIRHRGDQF-UHFFFAOYSA-N 413.485 2.820 0 50 HFAA O=C(Nc1cccnc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 16648792 GKQPLQKLDQHWND-FQEVSTJZSA-N 409.467 2.818 0 50 HFAA CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20029124 MFTIKCLEZCVXSV-FQEVSTJZSA-N 403.910 2.860 0 50 HFAA Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2cnn(C)c2n1 20606102 JQNWRDBQWSJIHR-UHFFFAOYSA-N 401.473 2.542 0 50 HFAA COc1ccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC 61719869 XVHHIRMVZXAFEK-UHFFFAOYSA-N 413.861 2.897 0 50 HFAA NC(=O)C[C@@H](c1cc2ccccc2nc1O)c1oc(CN2CCCCC2)cc(=O)c1O 253623662 DWHPPFSHOPNGEH-INIZCTEOSA-N 423.469 2.592 0 50 HFAA biogenic Cc1cc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)ccc1Cl 328605057 MCQYYLGNMKYTRB-QGZVFWFLSA-N 416.909 2.519 0 50 HFAA O=C(O)CC1(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CCOCC1 486035054 AYIHYSLBWUMPPO-UHFFFAOYSA-N 404.854 2.552 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2ncsc2c1 670433757 WMUIFKAZVVKZKD-QKTWPWEVSA-N 404.539 2.594 0 50 HFAA COc1ccc(CNC(=O)C2CCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 1506400915 HHFXCLJPQCXKRD-UHFFFAOYSA-N 420.513 2.990 0 50 HFAA O=C(CCc1ccncc1)N1C[C@@H]2CN(CCSc3ccccc3)C[C@]2(CO)C1 1772712598 VCPFHOHCJNVXQV-NZQKXSOJSA-N 411.571 2.559 0 50 HFAA Cc1c(F)cccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857722323 HTJADQOQIHHVGS-SFTDATJTSA-N 400.498 2.936 0 50 HFAA O=C1C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccc(Cl)cc1 2082929067 YWJZEPAEJNOLLL-CQSZACIVSA-N 416.886 2.645 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1 679991 AVEBPTNPJPLARC-UHFFFAOYSA-N 402.476 2.692 0 50 HFAA COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1O 828249 PAEKELPDGJTZKW-ZSOIEALJSA-N 403.257 2.934 0 50 HFAA CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 2873843 MPTUYAHEFFLYPL-UHFFFAOYSA-N 401.532 2.882 0 50 HFAA CCCN(Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1)CC1CC1 11716550 XPVQKQSPYOQOBB-NRFANRHFSA-N 406.567 2.514 0 50 HFAA C[C@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1 12200140 ULIGTTFJDBDIRG-GOSISDBHSA-N 404.518 2.655 0 50 HFAA O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@](CO)(CCOc2ccccc2)C1 12429348 JHJHEWBSMSKUFE-QHCPKHFHSA-N 410.470 2.665 0 50 HFAA Cc1nn(CC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(=O)c2ccccc12 12457785 NMVLKTRSZUYCFN-FQEVSTJZSA-N 404.514 2.528 0 50 HFAA O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 15061880 OEVCDMGOHAYMHB-UHFFFAOYSA-N 405.926 2.597 0 50 HFAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc(-c2ccsc2)nc1N1CCOCC1 20450623 ANHDOUVCJYNVLH-UHFFFAOYSA-N 411.531 2.959 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 20998275 XZIKZCNVXBNGNH-KRWDZBQOSA-N 411.550 2.503 0 50 HFAA Cc1ccccc1OC1CCN([C@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2O)CC1 72419320 RFUTVCDQGMFHFE-PMACEKPBSA-N 400.544 2.714 0 50 HFAA OC[C@@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C[C@H]1CO 72453892 KTZSFAZKVTVCFZ-GJZGRUSLSA-N 420.391 2.854 0 50 HFAA Cc1cc(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)n[nH]1 82091586 AMIAABFNFJQKSX-OAQYLSRUSA-N 409.578 2.753 0 50 HFAA O=C1CC2(CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)CN1Cc1ccccc1 95503237 SIOPUVGLTLRGKV-JOCHJYFZSA-N 403.526 2.742 0 50 HFAA COc1c(C)cnc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1C 169752396 ZVHYUXTUUOIUQL-UHFFFAOYSA-N 408.433 2.863 0 50 HFAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(-c3ccccc3F)o2)c1O 252509638 YSTRBKKPQNSVLW-NSHDSACASA-N 400.362 2.686 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 685076813 QUHMWGZPRDSJEF-QFBILLFUSA-N 416.547 2.688 0 50 HFAA COc1cc(NC(=O)CCSc2ccc3c(c2)OCCO3)cc(-n2cnnn2)c1 952971804 OWPXQPHVEMQGGZ-UHFFFAOYSA-N 413.459 2.563 0 50 HFAA O=C(O)CC[C@@]12CN(CCC(F)(F)F)C[C@@H]1CN(C(=O)CCc1ccncc1)C2 1772706095 OROZZGMRIGGWIL-APWZRJJASA-N 413.440 2.592 0 50 HFAA CN1CC[C@@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(Cc3cccc(F)c3)CCO2)C1 1857709207 LACIZHHXFJPJSL-FMRHZRETSA-N 415.553 2.892 0 50 HFAA Ic1cc2c(NC[C@H]3CN4CCC[C@H]4CO3)ncnc2s1 1875341324 OXIPFLFOUUUEIA-UWVGGRQHSA-N 416.288 2.571 0 50 HFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2ccc3c(c2)CCCO3)CCCCN1 2100533285 IUCVRTNNZCUDLC-NRFANRHFSA-N 413.562 2.999 0 50 HFAA Cn1ccc(Nc2ccc(C(=O)N3CCc4c(sc5ncnc(N)c45)C3)cc2)n1 2325879434 VOUMARPJTNODGB-UHFFFAOYSA-N 405.487 2.949 0 50 HFAA O=C(NC[C@H]1CCCO1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 630900 WLNCKIQOSALLNU-QGZVFWFLSA-N 408.907 2.727 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 815590 XSWKDXTXUYRIEB-YJBOKZPZSA-N 404.488 2.550 0 50 HFAA CCN(CC)C(=O)c1sc(NC(=S)Nc2cnccn2)c(C(=O)OC)c1C 2850830 XBKQDFZNTFETPC-UHFFFAOYSA-N 407.521 2.924 0 50 HFAA CC(=O)NCC(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 11783841 UIYVLWGGFFOHEY-CQSZACIVSA-N 406.891 2.827 0 50 HFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2cnn(-c3ccccc3)n2)c1 12056526 MHANGQOXAHXIOB-FQEVSTJZSA-N 405.502 2.947 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(O)nc4)C3)C2)c1OC 12072860 RZLDUTXXBCZDAX-QHCPKHFHSA-N 411.502 2.933 0 50 HFAA CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 12201141 FXIVLUMFRMGFMM-OAHLLOKOSA-N 401.463 2.699 0 50 HFAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc(OCCO)cc3)N3CCC[C@@]123 12432037 IVTJICMAYQKWLJ-CVJWPJSTSA-N 418.537 2.963 0 50 HFAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 16050609 OOBNSAGNIAHUAT-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)c(C)c2)cc1 19913721 AQXSWKNRHDKUQP-UHFFFAOYSA-N 415.559 2.581 0 50 HFAA CC(=O)OCC1=C(COC(C)=O)CC2=C(C1)CC(COC(C)=O)=C(COC(C)=O)C2 43198993 UPTROHKWLAXATF-UHFFFAOYSA-N 420.458 2.716 0 50 HFAA CCN1CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Br)cc2)OC3)CC1 169776489 XXZINCMPIMWESI-SFHVURJKSA-N 419.323 2.695 0 50 HFAA CCO[C@H]1C[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C12CCC2 170638866 SPJTWLQSMLMFSF-CVEARBPZSA-N 423.307 2.638 0 50 HFAA COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](CN(C)C)c2ccccc2)c1C 225434959 GRPYPCSHCHPENR-SFHVURJKSA-N 401.507 2.510 0 50 HFAA CCN1C(=O)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[C@@H]1Cc1ccccc1 225558727 BXTJTNYILQSUFI-IBGZPJMESA-N 404.470 2.884 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 252514747 DBNXODGUIPCCQD-JFCAZQBUSA-N 418.545 2.684 0 50 HFAA C[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ccccc1-n1cccn1 670439677 BJVDDPSQCFBNGP-KRWDZBQOSA-N 403.486 2.997 0 50 HFAA Cc1cc2c(SCC(=O)N(CCN(C)C)Cc3[nH]cnc3C)ncnc2s1 1704309250 LXRAUHXHNHWQHU-UHFFFAOYSA-N 404.565 2.714 0 50 HFAA COc1cccnc1CN1C[C@@H]2CN(Cc3scnc3C)C[C@]2(CCC(=O)O)C1 1772808189 IGONUEYZTKBSCN-IERDGZPVSA-N 416.547 2.654 0 50 HFAA O=C(NCc1n[nH]c2c1CCCCC2)c1cc2c(s1)C1(CCNCC1)OCC2 1857691215 AFDIITCUGBUAMW-UHFFFAOYSA-N 400.548 2.822 0 50 HFAA COc1ccc(C(=O)NCCCn2ccnc2)cc1Oc1cccc(OC)c1CN 1857694055 YPGLVFOXPNJMEN-UHFFFAOYSA-N 410.474 2.971 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1 641926 FIAAGQKYVFEMGC-WOJBJXKFSA-N 422.572 2.871 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792485 NIZSAJYORFTASC-AWEZNQCLSA-N 421.346 2.689 0 50 HFAA COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 4740195 SUQHCFLWQQPERJ-PCCBWWKXSA-N 421.497 2.976 0 50 HFAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 5059063 BUNNZYDTDDLTAU-VQIMIIECSA-N 414.527 2.959 0 50 HFAA CN(Cc1ccc(OC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1)Cc1ccon1 11868159 BPKVJHNPYXLIPF-FQEVSTJZSA-N 423.517 2.821 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCN2CCCC2=O)C1 11951034 KBDBCFAHBPJSSN-JOCHJYFZSA-N 422.472 2.692 0 50 HFAA CN(C)C[C@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 12206538 FETKCSYQQSCCBL-NRFANRHFSA-N 403.954 2.964 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1I 15418444 UFEGLCHWRLSUSJ-UHFFFAOYSA-N 420.206 2.916 0 50 HFAA CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 16625973 CDZIQZNSYWJSTC-OAHLLOKOSA-N 420.556 2.920 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccc1 55035888 DHDQVUCVCGTWOJ-SYZXBLONSA-N 421.541 2.648 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 72442286 URAVCXTVZCTVTC-UHFFFAOYSA-N 412.881 2.595 0 50 HFAA COc1ccccc1C1CCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 219025945 OMDUMRXMJFEVLD-JOCHJYFZSA-N 402.491 2.695 0 50 HFAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCC2 225764429 BPFSYJSIHHQYFS-UTJXIGIESA-N 418.515 2.726 0 50 HFAA C[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 253406319 YAYMLDODNYEWLD-JLSDUUJJSA-N 411.468 2.916 0 50 HFAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2ccc(-c3ccco3)nc2O)C1 253536154 FUIDZNUARWBWSK-ZENOOKHLSA-N 402.447 2.506 0 50 HFAA C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 328604270 JECYIJIIHKJQSN-HZPDHXFCSA-N 416.547 2.528 0 50 HFAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 428858520 XZNMEOYTGVOLQM-INIZCTEOSA-N 416.279 2.550 0 50 HFAA O=C(Cc1cnn(-c2ccccc2)n1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766738942 QHGRTHQBFHOLSM-CQSZACIVSA-N 413.840 2.524 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2c(C)nn4ncccc24)C3)cc1 1775980123 SJLIKRPULGPBFY-UHFFFAOYSA-N 400.442 2.583 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857714240 NQNQZPSJBVGXAQ-QGZVFWFLSA-N 421.526 2.578 0 50 HFAA CCC(=O)NCc1cnc2c(c1)CN(C(=O)c1cc(-c3ccccc3)nn1C)CC2 1875244673 YXQRDVMEQOLUSS-UHFFFAOYSA-N 403.486 2.707 0 50 HFAA Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3C[C@H](CO)C[C@@H](CO)C3)c2Cl)cc1 1875342251 HEEYGMPWGMQBJF-JNVNVXKGSA-N 417.937 2.664 0 50 HFAA CN(C(=O)c1cc(Cl)ncc1F)C1CN(C(=O)c2cc(Cl)ncc2F)C1 1875368773 OYSUYUSFBDBBHZ-UHFFFAOYSA-N 401.200 2.658 0 50 HFAA CCCn1cnc(NC(=O)[C@H]2CC(=O)N(c3nc4ccc(OCC)cc4s3)C2)n1 1940197838 WAKVRAHXGXWMKI-LBPRGKRZSA-N 414.491 2.688 0 50 HFAA Cc1cccc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1C 2082943396 YIXDTGGNROKCBA-INIZCTEOSA-N 410.495 2.608 0 50 HFAA CCOCCN1C(=O)[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)c2ccccc21 2100539725 VSOVLLRYLDFAKV-QHCPKHFHSA-N 404.470 2.730 0 50 HFAA CCC(CNc1ncc(C(N)=O)cc1Cl)CNc1ncc(C(N)=O)cc1Cl 2325725117 LOPPGPVDVAKXKI-UHFFFAOYSA-N 411.293 2.531 0 50 HFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OCC)c(=O)c2c1C 791133 DXBFCWROQASLRO-UHFFFAOYSA-N 415.471 2.981 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 810444 OKZFWUSUIHGKLC-UHFFFAOYSA-N 410.517 2.589 0 50 HFAA CCOC(=O)c1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1 1145222 SPOVYPCSWAFMDE-UHFFFAOYSA-N 403.438 2.872 0 50 HFAA biogenic CCOc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C(C)C)cc1 6764512 YVABYKAOWRYTBP-CEXWTWQISA-N 401.507 2.708 0 50 HFAA COCCNC(=O)CCC1CCN(Cc2cnn(-c3ccccc3OC)c2)CC1 12076711 DYRAHAGIRREXJW-UHFFFAOYSA-N 400.523 2.636 0 50 HFAA COCCSc1nnc(CCNC(=O)Cc2csc(-c3ccccc3)n2)n1C 12213726 UCJORCLZDKZDPN-UHFFFAOYSA-N 417.560 2.579 0 50 HFAA COc1ccc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)c(OC)c1 12296513 LHWQOAIOWNKRNW-UHFFFAOYSA-N 408.458 2.892 0 50 HFAA biogenic CCOC(=O)C[C@H](CC(C)C)NC(=O)Cn1cc(NC(=O)c2ccccc2F)cn1 14889619 OSQYUINVKKHFDS-HNNXBMFYSA-N 418.469 2.759 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1)NCc1ccccc1Cl 20537630 NBTBCZYNVRDSTN-SFHVURJKSA-N 421.969 2.697 0 50 HFAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCN1CCOCC1 20707704 RQJCGBVQMKKBDD-UHFFFAOYSA-N 401.894 2.583 0 50 HFAA O=C(/C=C/c1ccccc1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 22851274 UYHUBDXQYVWXPY-ZJVFBWDJSA-N 419.569 2.522 0 50 HFAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)C[C@@H](C)O)nc2c1=O 72432690 QZXTUJOXRWVPOO-OAHLLOKOSA-N 412.465 2.721 0 50 HFAA CN1CCC(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)(N(C)C)CC1 91305358 IBAPTGSOTYAJBR-QFIPXVFZSA-N 401.551 2.613 0 50 HFAA Cc1ccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c(C)c1 91626166 VXFPJFVMNVWXGS-QUCCMNQESA-N 402.539 2.638 0 50 HFAA COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=O)N[C@H](C3(C)CCCCC3)C2=O)c1 170595697 YSQGKTCROCDJGP-KUHUBIRLSA-N 417.506 2.772 0 50 HFAA COc1ccc(Nc2nc(N(C)CC[C@H](C)O)cc(N(C)CC[C@H](C)O)n2)cc1 225651539 AHNCQXXSSCFXKW-HOTGVXAUSA-N 403.527 2.643 0 50 HFAA CC(C)Oc1cccc(CC(=O)N2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)c1 328602939 DGINYYCRGNKXTN-IBGZPJMESA-N 410.518 2.647 0 50 HFAA Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1NC(=O)CCN(C)C 468829926 DSRFSROKJMQUSB-UHFFFAOYSA-N 412.519 2.659 0 50 HFAA NC(=O)c1csc(S(=O)(=O)NCC[C@H]2CCCCN2Cc2ccccc2)c1 670440181 FXDSSDBKYLDRAR-QGZVFWFLSA-N 407.561 2.570 0 50 HFAA O=C(O)c1ccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1Cl 743257547 ZBMOTPKVXNREKX-UHFFFAOYSA-N 414.842 2.815 0 50 HFAA c1ccc(-c2noc(CNCc3cc4ccccc4nc3N3CCOCC3)n2)nc1 952872180 IVEMCLPWHVVUTG-UHFFFAOYSA-N 402.458 2.806 0 50 HFAA O=C(c1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 952965382 OYYLOROJHMTXJZ-OAHLLOKOSA-N 402.472 2.527 0 50 HFAA COc1cnc(N2CCC3(CCCC3)C2)c(S(=O)(=O)NCCC23CC(CO2)C3)c1 1875335757 FWXSUSMOWSLYPU-UHFFFAOYSA-N 421.563 2.708 0 50 HFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2cc(Br)ccc21 1157368 WTEZBIPUKFOTQU-LJQANCHMSA-N 418.243 2.657 0 50 HFAA Cn1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)c(C(N)=O)n1 2802119 QULZJJDFDPSLHB-UHFFFAOYSA-N 419.235 2.706 0 50 HFAA Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(C(=O)O)cc1 2861246 BXARHESJLHDIFK-UHFFFAOYSA-N 406.179 2.997 0 50 HFAA O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 4838602 HUZHMAUCVLUFKA-OCCSQVGLSA-N 421.346 2.689 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 5581004 ASZJDTFIBZKMPC-UHFFFAOYSA-N 404.300 2.768 0 50 HFAA COc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCOCC1 9063821 FCLHWPSFEKQYAT-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA CCCC[C@H]1CN(CC(=O)NC[C@@H]2CCN(CCOC)C2)Cc2ccccc2O1 11870513 OSFLDXAZVINGPV-FPOVZHCZSA-N 403.567 2.524 0 50 HFAA CC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4F)nn3)CC2)cc1 12437769 LGVNNDLOPUOPRR-UHFFFAOYSA-N 407.449 2.631 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3)cc2)CC1 12708755 YFVOYXBEGUSUKX-JOCHJYFZSA-N 412.530 2.601 0 50 HFAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1nccs1)C2 14749232 VPCQYJJROGUEDJ-UHFFFAOYSA-N 410.547 2.879 0 50 HFAA CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 15005185 UVHBUWKMLQDQAP-CQSZACIVSA-N 415.519 2.655 0 50 HFAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1c(F)c(F)cc(F)c1F 20607366 YDECCGWTWSEZNV-UHFFFAOYSA-N 417.322 2.777 0 50 HFAA O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 58900764 VVYBBSXAHQREFI-IBGZPJMESA-N 401.463 2.777 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cccnc3)[C@@H]4C2=O)cc1C 77406736 KTJSYWRTGVXXQJ-BLRYILKCSA-N 403.482 2.643 0 50 HFAA CC(C)(C)n1cc2c(n1)[C@H](N)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2 79012808 HONRUHZLFCRMIC-MRXNPFEDSA-N 408.506 2.972 0 50 HFAA CCCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82137169 OKOCHTBUXZJAOQ-GOSISDBHSA-N 402.539 2.811 0 50 HFAA CCOC1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 91486722 VTNRLYLKDHSRSE-OAQYLSRUSA-N 414.594 2.786 0 50 HFAA C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)C[C@H]1COc2ccccc2O1 248117943 MAZYXEKZYYXGQI-PXNSSMCTSA-N 411.502 2.622 0 50 HFAA C[C@H](NC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 248244092 INOLKJOONOEYCD-DOPJRALCSA-N 415.540 2.858 0 50 HFAA CN(CC(=O)N1CCOCC1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 477316317 JLBDLAMCOSAYEI-UHFFFAOYSA-N 412.877 2.610 0 50 HFAA COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)CC3OCCCO3)c2C)c1 952887836 AYFYNMCICRGOCD-LJQANCHMSA-N 415.490 2.551 0 50 HFAA Cc1ncccc1CN1C[C@@H]2[C@H](CNC(=O)Cc3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1857719358 JIKMYUXJGSZESI-JVNMPXIPSA-N 409.505 2.867 0 50 HFAA CN(CCCN(C)c1nc(C2CCCC2)nc(=N)[nH]1)C(=O)c1nc(Cl)ccc1F 1875387389 FYHNSSKYZUADHS-UHFFFAOYSA-N 421.908 2.728 0 50 HFAA Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O 637488 CBKHFTIKKJOFHI-UHFFFAOYSA-N 417.513 2.721 0 50 HFAA O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 812256 PMSRBHOVTZKOTD-LLVKDONJSA-N 407.319 2.687 0 50 HFAA CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cn1 1051974 MKIIKRAULASGKC-UHFFFAOYSA-N 406.489 2.505 0 50 HFAA COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1157465 KSOOBPUKJJUJNI-UHFFFAOYSA-N 404.488 2.743 0 50 HFAA COc1ccccc1-n1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4626215 FZDIJLPGGAWXJM-UHFFFAOYSA-N 415.453 2.660 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCC2CCCC2)cc1 12195056 NEGBMLYEHUZFOB-NRFANRHFSA-N 401.551 2.862 0 50 HFAA COc1cc(CNC2CCN(C)CC2)ccc1OC[C@H](O)CN1CCCCCCC1 12299150 PTRIMDJATPSRBG-JOCHJYFZSA-N 419.610 2.885 0 50 HFAA COCC1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCCCC3)c2)CC1 12456159 NXJGUIAOAOIOBU-OAQYLSRUSA-N 406.567 2.779 0 50 HFAA O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)c1ccc2c(c1)OCO2 12597774 LTBMDTLYMFVFGH-UHFFFAOYSA-N 422.489 2.788 0 50 HFAA CCn1c(CNC(=O)c2ccccc2F)nnc1S[C@@H](C)C(=O)NC(C)(C)C 13956533 BNZTVUBYDDLCNK-LBPRGKRZSA-N 407.515 2.762 0 50 HFAA O=C(NCCn1cccn1)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 14969660 HNFDMACFADEQCX-UHFFFAOYSA-N 422.533 2.522 0 50 HFAA CN1C(=O)[C@@](CC(=O)N2CCc3n[nH]cc3C2)(Cc2ccccc2)c2ccccc21 71764970 ZYNVUFMIVPDUFX-XMMPIXPASA-N 400.482 2.842 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 137137374 BLCQWDZVRSEUHR-KIQACKJLSA-N 424.840 2.994 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@H]2CCCO2)[C@@H](c2ccncc2)C1 225720032 JKVFALUPIGHNNN-RTBURBONSA-N 419.522 2.788 0 50 HFAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 247889837 SUTNMNSFISDCJM-LEAZDLGRSA-N 422.506 2.853 0 50 HFAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)C1=O 252443974 HRTIZSGWLGQLQO-QFBILLFUSA-N 418.544 2.509 0 50 HFAA CN1CCCCC[C@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccncc1 299758161 NZPCKZGXAJHWOL-SFTDATJTSA-N 412.578 2.634 0 50 HFAA O=C(O)C[C@@H](NC(=O)Cn1c(O)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 485736240 SQMIQCKBFVWHBD-CQSZACIVSA-N 423.347 2.973 0 50 HFAA O=C(c1cccc(-c2ccccc2F)c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 952989853 STRJILNDSGNXEB-UHFFFAOYSA-N 417.506 2.591 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc3c(c2)CCCO3)cc1OC 1529113125 BUZXIJLVPWETKL-FGZHOGPDSA-N 413.470 2.603 0 50 HFAA O=C([C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CC(c2ccncc2)C1 1857716220 CBMBXZMPBADNAJ-QGZVFWFLSA-N 419.510 2.503 0 50 HFAA Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CCO2)o1 1875253267 VUXBNQLQOUOKPB-PXNSSMCTSA-N 418.515 2.589 0 50 HFAA CN1CC[C@H](O)[C@H](C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)C1 2100540587 MERUEYRFSIYVRP-UZLBHIALSA-N 402.926 2.749 0 50 HFAA CC(C)(Oc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)NC[C@]1(C)CC1(Cl)Cl 2325849795 AQXBSURJCVPBMW-INIZCTEOSA-N 400.262 2.887 0 50 HFAA Cc1ncoc1CNC(=O)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)cc1 2325863418 JDEPDLZTWQVYSC-UHFFFAOYSA-N 419.441 2.837 0 50 HFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 1025336 CLGAUAFRQHSWEG-UHFFFAOYSA-N 405.863 2.881 0 50 HFAA Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 1150196 XGFWFPBBCLZZEZ-UHFFFAOYSA-N 403.504 2.538 0 50 HFAA CCCc1ccccc1OCCNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 2875658 HUUHIQFBWJWROJ-UHFFFAOYSA-N 404.532 2.675 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 4820454 ACGJACCOWUEIIE-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCN(c2ccccc2)C(=O)C1 11774080 JRBSHEDCDCYOJN-UHFFFAOYSA-N 411.465 2.969 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cnccn3)c2)s1 12595759 CLZNRVQTDWIULE-KRWDZBQOSA-N 408.487 2.937 0 50 HFAA C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 20992271 DKAMZZGTLSLPJV-AWEZNQCLSA-N 412.444 2.501 0 50 HFAA O=C(c1ccncc1)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777621 JBNJGJFKRSAWGV-KRWDZBQOSA-N 401.430 2.867 0 50 HFAA Cc1sc(=O)n(CC(=O)Nc2cc(C(=O)N(C)C)ccn2)c1-c1ccc(F)cc1 752628351 MMOHJIINWWJKMZ-UHFFFAOYSA-N 414.462 2.760 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)CC1CCN(Cc2ccccc2)CC1 952966391 VVKWTMGACDSAQM-UHFFFAOYSA-N 406.490 2.912 0 50 HFAA CCNC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1Cl 952971044 QQFLDSNTZUTNFB-UHFFFAOYSA-N 414.893 2.976 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)Nc1ccccc1CN1CCCC1 952978920 GBYMFTRCCOSCOB-JOCHJYFZSA-N 424.520 2.751 0 50 HFAA O=C(CN1CCOc2ccccc2C1)NCc1noc(-c2c(F)cccc2F)n1 952980535 RAAWJJKGEOGXQJ-UHFFFAOYSA-N 400.385 2.526 0 50 HFAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(OC)c(OCCN4CCOCC4)c3)C[C@@H]21 1704300435 VYBPSPPIHCFRMA-ZFGGDYGUSA-N 418.578 2.779 0 50 HFAA COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c(O)n3ccccc3nc2=O)cc1 1776111709 MEHQZDULINKXEM-GOSISDBHSA-N 419.437 2.840 0 50 HFAA Cc1c(-c2ccncc2)[nH][nH]c1=NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 1875254358 YKBYFTXXUAUPRW-GOSISDBHSA-N 401.470 2.682 0 50 HFAA C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CCN1c1ccccc1F 1875262044 FYLYBCMPAYJWKY-JXFKEZNVSA-N 404.507 2.519 0 50 HFAA C[C@H](OC(=O)c1cnc2c(c1)CCC(=O)N2)c1nc2cc(Br)cnc2[nH]1 2325824197 SYAZWZRYTKWZCX-QMMMGPOBSA-N 416.235 2.918 0 50 HFAA C[C@H](C1CC1)N1C[C@H](C(=O)Nc2nc3cc(Br)ccc3n2C)CC1=O 2325826659 ITLGISCYTGDMNT-ZYHUDNBSSA-N 405.296 2.921 0 50 HFAA CO[C@@H]1CC[C@@H](C)N(c2nnc(-c3cc(F)ccc3C)n2CCC(=O)N(C)C)C1 2325840010 LQAPZCKKZNDGFG-NVXWUHKLSA-N 403.502 2.875 0 50 HFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)CCOC32CCNCC2)n1 2356141206 YBIYHFUBZJVQCK-CYBMUJFWSA-N 404.536 2.972 0 50 HFAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 894972 VVFSYWMRIQEVPN-DEOSSOPVSA-N 407.466 2.936 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 1110792 LLTSIGWQDZNTKO-GFCCVEGCSA-N 410.879 2.920 0 50 HFAA CCn1cc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)n1 6490257 GQQXQLJPBYAKIA-GOEBONIOSA-N 422.526 2.629 0 50 HFAA CCn1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C)C3)n1 6730552 UKEGKMFZZBAACH-ZDUSSCGKSA-N 402.520 2.814 0 50 HFAA CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCCC2 13894870 UDNXYHMUVDLLRO-UHFFFAOYSA-N 407.517 2.926 0 50 HFAA CCOC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)/C=C/c2cnn(C)c2C)nc1C 13961416 IIAPWCAOOVCBGB-ROJDOSBLSA-N 418.519 2.896 0 50 HFAA COc1cccc(CN2CCC[C@H](NC(=O)c3cccc(N4CCNC4=O)c3)C2)c1 19147019 DUSRKZYOEWUNBM-IBGZPJMESA-N 408.502 2.619 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CNC(=O)NC(C)(C)C)(O4)[C@@H]3C2=O)cc1Cl 169677720 VAMPMQGOGIZPGR-PTDBIEIZSA-N 417.893 2.559 0 50 HFAA O=C(COc1ccccc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 247730721 GXJNWHHPFBRQBH-OTVXOJSOSA-N 417.897 2.503 0 50 HFAA CNS(=O)(=O)c1c(Br)cc(Br)cc1Br 306715374 SHQCYWHHMPDRDL-UHFFFAOYSA-N 407.909 2.882 0 50 HFAA Cc1ncc(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)c(O)n1 426518295 ITHPIHFJXCYJIW-QHCPKHFHSA-N 408.502 2.578 0 50 HFAA CCc1ccc(C(=O)N2CCN([C@H]3CCN(c4ccccc4OC)C3=O)CC2)cc1 464865454 GQJLFHJBDMXNEH-NRFANRHFSA-N 407.514 2.821 0 50 HFAA O=C1CCCN1CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875245136 LKKXEEQQOLSVKL-LEWJYISDSA-N 408.454 2.679 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 2325889214 FVNIVULQOXGQNY-MRXNPFEDSA-N 418.925 2.831 0 50 HFAA Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c12 936983 MBUWRFFZKNAQER-UHFFFAOYSA-N 411.270 2.811 0 50 HFAA COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2279237 FIPZNFQJCGQCDG-UHFFFAOYSA-N 410.923 2.684 0 50 HFAA CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1I 4845953 SHAXFHUWANCHAI-RVDMUPIBSA-N 406.223 2.808 0 50 HFAA O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 4938176 QBMRHADNLXPNPJ-UHFFFAOYSA-N 402.472 2.885 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 12713862 QPNRIWUTQRHWLB-OAQYLSRUSA-N 413.606 2.827 0 50 HFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1ccc(Cl)cc1 14744882 ONOBNRCPWWHFRA-BZSNNMDCSA-N 403.910 2.508 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 14745243 ISIJJBVGOIJBQT-UHFFFAOYSA-N 414.531 2.589 0 50 HFAA O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3ccccc13)CCC2 35406237 LQPAHHGDDHIRAA-UHFFFAOYSA-N 404.470 2.713 0 50 HFAA biogenic O=c1c2ccccc2ncn1CCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2 65382124 WXGBIWJLADFGJK-UHFFFAOYSA-N 401.426 2.826 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c(C)c1 72116005 NXYRLABOTGGGMH-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA Cc1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(-n2cccn2)n1 82230304 ICFBNCRDHHXYHU-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCCN4CCCCC4)c(=O)n1c23 100663175 UKMKUQHDWJPJRJ-CQSZACIVSA-N 401.482 2.959 0 50 HFAA COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)c1 170606661 RDUSOMMWSZPAKM-UHFFFAOYSA-N 411.483 2.532 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1 241338649 MCRXYUFUOBRTPJ-CAXGVCPASA-N 409.552 2.633 0 50 HFAA CCOc1cccc(C=c2sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)c1 254556405 OVHQISHLWBJUFG-KRWDZBQOSA-N 407.451 2.610 0 50 HFAA CC(C)(CNC(=O)NCCn1c(O)nc2ccccc21)c1ccc2c(c1)OCCO2 428390804 PIMPNAGZIZDOJH-UHFFFAOYSA-N 410.474 2.790 0 50 HFAA CS(=O)(=O)CCOc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 751280949 INSRRZWEFGMKJU-UHFFFAOYSA-N 407.872 2.703 0 50 HFAA CC(C)(O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 806890570 JUCGNRIHRFSSGD-MRXNPFEDSA-N 403.429 2.526 0 50 HFAA COc1cc(S(=O)(=O)NCc2nncn2C2CCCCC2)c(OC)cc1Cl 824555032 GCEBRHBXNPTFHF-UHFFFAOYSA-N 414.915 2.932 0 50 HFAA Cc1cc(CN2CC3(CCN(c4cnc5ccccc5n4)CC3)OCCC2=O)on1 1857710319 QOZOTMZDACLZMB-UHFFFAOYSA-N 407.474 2.714 0 50 HFAA O=C1O[C@H](C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)Cc2cccc(Cl)c21 1875340680 MSIBDHLUGQCUIC-ZDUSSCGKSA-N 404.213 2.894 0 50 HFAA CCN(C)C1(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CCCCC1 1940196640 XKDZDXLBRVPXQK-RTWAWAEBSA-N 401.551 2.664 0 50 HFAA CCc1cc(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc2c[nH]nc12 2325839731 COEUXYQMCIXSIP-UHFFFAOYSA-N 408.458 2.997 0 50 HFAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 2631422 DUSYOAOODGJTEY-UHFFFAOYSA-N 406.479 2.551 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)CC1 4593646 YLRKNTGFUHQUEV-UHFFFAOYSA-N 402.516 2.916 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C(C)(C)C 4937501 HUJOQVXCGGJPNF-UHFFFAOYSA-N 406.504 2.732 0 50 HFAA Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(C)(C)C2 20555699 NEMHCIKQTSJLDP-UHFFFAOYSA-N 408.502 2.991 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1 32576572 ZSSKZNBAULVHEI-IRLDBZIGSA-N 413.587 2.904 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@@H](C)O)nc2c1=O 72436754 UVUYAESTXOUMAP-CQSZACIVSA-N 414.893 2.893 0 50 HFAA O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(OC(F)(F)F)cc1 100660576 JDQMTYZDNBPEHO-CQSZACIVSA-N 408.332 2.736 0 50 HFAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ncccn2)CC1 169681398 PTKZVOVYTQPIKW-KRWDZBQOSA-N 409.534 2.926 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239174107 PHFVBFGLQBLXIV-JWDKAUQWSA-N 407.466 2.553 0 50 HFAA COC(=O)C[C@H](c1ccc(Br)s1)c1c(O)ncc(C(=O)OC)c1O 252482942 DQWCFXYFZUUBSJ-SSDOTTSWSA-N 416.249 2.798 0 50 HFAA CCc1nc(C)c(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)s1 496283673 MJFSTZFSJJDPTI-SFHVURJKSA-N 412.559 2.750 0 50 HFAA C[C@H](C(=O)NCCc1nc(-c2cccnc2)n[nH]1)N1C(=O)c2cccc3cccc1c23 670467078 HXAIICDXWJAXLB-CQSZACIVSA-N 412.453 2.728 0 50 HFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 952968418 JUCOJCLUFLCQAA-UHFFFAOYSA-N 415.519 2.585 0 50 HFAA CN1C(=O)N(C)C2(CCN(C(=O)c3ccc(CSc4ccccn4)cc3)CC2)C1=O 952972644 KXIMYOBCAXUKPQ-UHFFFAOYSA-N 424.526 2.873 0 50 HFAA O=C(CCn1cnc2ccccc2c1=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952986943 HBAOITPEZYDJBR-UHFFFAOYSA-N 418.457 2.607 0 50 HFAA O=C(CN1CCc2ccccc2C1)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1613881785 HFYDGRMBAXCKGR-URXFXBBRSA-N 401.510 2.967 0 50 HFAA Cc1nnc(N2C[C@H](C(=O)N(C)CCCOc3cccc(Cl)c3)CC2=O)s1 1857729877 IJPFCIWNSVCPJO-CYBMUJFWSA-N 408.911 2.780 0 50 HFAA COc1ccccc1N(C[C@@H](O)Cn1nc(C)cc1C)S(=O)(=O)c1ccccc1 895748 QRSHGBBEMOJSGI-SFHVURJKSA-N 415.515 2.765 0 50 HFAA CCOC(=O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OCC)cc1 4023807 FWGADZIZUNJCAU-CAPFRKAQSA-N 410.470 2.926 0 50 HFAA biogenic O=C(COc1ncnc2ccccc12)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11662927 FVFILDJYGBVAJG-LJQANCHMSA-N 402.498 2.757 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCN2CCCO2)C1)NCc1ccc(F)c(F)c1 11932682 KJYTZDMKVANUHY-MRXNPFEDSA-N 409.477 2.627 0 50 HFAA CCn1nc(C)cc1C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 11969647 ACACVRPSIIKERO-OAHLLOKOSA-N 411.437 2.550 0 50 HFAA Cc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14749488 TZZDPICETATCIG-FQEVSTJZSA-N 410.562 2.967 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 19837607 HEBVWJNJTGYFGP-MRXNPFEDSA-N 415.515 2.803 0 50 HFAA CSc1ccc(CC(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cc1 19838195 LPBQEMMYNJYALP-LJQANCHMSA-N 403.592 2.744 0 50 HFAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 21795292 OHCDVTBQBNYRTM-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)c1 55326066 GLCOSIIFCJBPNU-MRXNPFEDSA-N 400.450 2.979 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)NCc4nnc5n4CCC5)cc3o2)cc1 95510816 NQXRJRIMPATCOF-UHFFFAOYSA-N 403.442 2.895 0 50 HFAA Cc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2nonc2C)C3)s1 299796252 QCGSTTSHGWGLPE-UHFFFAOYSA-N 411.487 2.580 0 50 HFAA COc1ccccc1C1=C/C(=C(\O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)N=N1 334159211 DTTVGTSYXYTZSS-JQFQCSHJSA-N 415.475 2.628 0 50 HFAA CC(C)Cn1nc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c2ccccc2c1=O 490017821 KETPAGQKKUDVHL-UHFFFAOYSA-N 408.506 2.768 0 50 HFAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 768999609 NTFFBCNNSTZPEX-WBVHZDCISA-N 420.465 2.895 0 50 HFAA O=S(=O)(NCc1nncn1C1CCCCC1)c1c(Cl)nc2sccn12 825619253 VSHMTDZZZYZINX-UHFFFAOYSA-N 400.917 2.624 0 50 HFAA O=C(c1cnccn1)N1CCC(N2CCCN(c3nc4ccccc4s3)CC2)CC1 952973219 NCHSZISWIXGZMC-UHFFFAOYSA-N 422.558 2.903 0 50 HFAA Cc1ccc(-c2nc(CNC(=O)[C@H](C)Cn3cncn3)[nH]c2-c2ccccn2)cc1 952975149 MAXMNIOHGSIYSK-MRXNPFEDSA-N 401.474 2.991 0 50 HFAA COc1ccc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@]3(CN(C)C)C2)cc1Cl 1772707549 UYLJYACEUHSCIA-VGOFRKELSA-N 419.953 2.611 0 50 HFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cn4)[C@@H](C)C3)o2)c1C 1857673152 NOJVLKKXBBQORS-LBPRGKRZSA-N 419.482 2.720 0 50 HFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(OCC(=O)N2CCCCC2)c1 1857679556 MPFDQOFEXCMZPL-NOXFTYBFSA-N 400.519 2.844 0 50 HFAA CC[C@@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1cn2cccnc2n1 1857688991 AIZMWUWFSWPHMG-OAHLLOKOSA-N 411.531 2.823 0 50 HFAA Cc1nc(O)cc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)n1 1857719410 KKRYCXYMDMPCCS-UHFFFAOYSA-N 401.854 2.818 0 50 HFAA Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(F)c1 2325819546 IGKAHGMGYOUXCW-QAPCUYQASA-N 418.490 2.690 0 50 HFAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CC(Oc2ccccc2)C1 2356154265 PAERRAYODWGKEA-NKNQFRNOSA-N 403.482 2.608 0 50 HFAA Cn1nccc1CNC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 2800407 LEMFBGPZAFUBAH-UHFFFAOYSA-N 424.686 2.999 0 50 HFAA CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cccc(F)c2)c1 4414471 VSRFTYXHWPIYFS-UHFFFAOYSA-N 413.449 2.923 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1CCOC1 12387438 IZKXPJOCFWSCBB-HNNXBMFYSA-N 402.882 2.989 0 50 HFAA O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCOCC1 12867117 IWIJASMTSBHMQU-UHFFFAOYSA-N 414.527 2.620 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1cccnc1 13495489 URNPIWCKWVTTSD-UHFFFAOYSA-N 423.494 2.528 0 50 HFAA Cc1cccc(CN2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CCO)n1 23375012 VZMYBXJMIMKTKJ-SFHVURJKSA-N 403.910 2.841 0 50 HFAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)[C@H]1CCOC1 72436227 VNTPTTAAVWLJMA-SFHVURJKSA-N 406.486 2.896 0 50 HFAA Cc1cnn([C@@H](C)C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c1 77298817 HXXZAXCYCLSOPH-SFHVURJKSA-N 412.490 2.645 0 50 HFAA COC(=O)[C@@H](NC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12)C(C)C 170625493 HRSJMJRWARDNMV-FQEVSTJZSA-N 408.454 2.927 0 50 HFAA Cc1nc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)nn1-c1ccc(Cl)cc1 225331917 ZCRXINJLGGHQDF-KZNAEPCWSA-N 403.914 2.553 0 50 HFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(F)cc1 239331305 KLRHIQVZIOFVSA-OSLXHZNNSA-N 408.351 2.732 0 50 HFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3c(Cl)cccc3N3CCOCC3)C2)n1 239367107 AHNILKIHJUVZGQ-INIZCTEOSA-N 417.941 2.570 0 50 HFAA COc1ccc(CCN(C)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)cc1OC 241124283 JGWMQHPYHIRAPM-BRLLKYFNSA-N 403.523 2.882 0 50 HFAA C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)C1=O 888105504 FTFXLSHTRDFDME-YKSBVNFPSA-N 406.482 2.693 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2C)C[C@@H]2CCCO2)cc1 1506409883 APHHOBQJHJHBRP-IBGZPJMESA-N 402.516 2.725 0 50 HFAA CC(C)[C@H]1CN(C(=O)CSc2nncn2C)CCCN1Cc1ccc(F)cc1 1506417957 CWPBCBLLQLAFJQ-GOSISDBHSA-N 405.543 2.805 0 50 HFAA Cc1cnc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cc3c(cc2Cl)OCO3)cn1 1800410599 WVKIQMTUCIMVLG-IRXDYDNUSA-N 400.866 2.543 0 50 HFAA COc1ccc(-c2nc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)c(C)o2)cc1O 1857679736 SDNUMJXKKOGJOM-UHFFFAOYSA-N 416.455 2.698 0 50 HFAA Cc1[nH]nc(CN2CCC[C@@]3(CCCN(Cc4nccn4C)C3=O)[C@@H]2C)c1Cl 2100557270 YZYMTYIQUFHIJH-MGPUTAFESA-N 404.946 2.898 0 50 HFAA Cc1sc(O)nc1C(=O)N1CCN(C(=O)C/C=C/c2ccccc2F)[C@H]2C[C@@H]21 2325841257 LQTCTKIXDWZBDR-IRJXADNDSA-N 401.463 2.825 0 50 HFAA CC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2nn[nH]n2)cc1 2325871670 UPXDCNMHHXOREE-KRWDZBQOSA-N 418.379 2.625 0 50 HFAA CN(C)C/C=C/C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 2325883707 QMDYCOXZLGSAAE-RMKNXTFCSA-N 406.530 2.634 0 50 HFAA COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)cc(OC)c1O 771854 PDGMWMPMYJLDFI-HNAYVOBHSA-N 423.494 2.964 0 50 HFAA CCN(CC)C(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(N)=O)c1C 1200020 LNNPXWRJOQMIQV-UHFFFAOYSA-N 403.460 2.618 0 50 HFAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1 4973676 MAMXMDVLRIWXNO-UHFFFAOYSA-N 405.545 2.521 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)CC2=O)cc1 4998874 WRCLSWZSHHUBLZ-SFHVURJKSA-N 406.486 2.620 0 50 HFAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(C(F)(F)F)c1 6182693 HRURUJLVFYUPSC-UHFFFAOYSA-N 400.422 2.830 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2nonc2C)O3)n1 12031231 JGQCGZPXEYLKCM-GFCCVEGCSA-N 417.878 2.944 0 50 HFAA CC[C@H](C)[C@H](NC(=O)CC[C@@]1(Cc2ccc(OC)cc2F)CCC(=O)N1)C(=O)OC 12039119 ALOBEHQVRDUZEP-FSJXIACGSA-N 422.497 2.510 0 50 HFAA CC1CCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)CC1 18271430 GLNCJORFGALERL-LJQANCHMSA-N 417.937 2.942 0 50 HFAA NC(=O)[C@@H]1CCCN1C(=O)CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 19837495 LPMRPYZSAVTXCJ-PZJWPPBQSA-N 411.477 2.628 0 50 HFAA O=C(c1ccc2[nH]cnc2c1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71759304 GPDGUOWNJBNCBP-SFHVURJKSA-N 409.534 2.502 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)cc1 169775874 KCGIHNXKMJQXFG-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Oc1ccc(Br)cc1 195340507 YXLOWKBVOAIKOB-RIMFYDMWSA-N 416.271 2.798 0 50 HFAA CCc1nn(C)c(CC)c1CC(=O)N1CCC(OC)(c2nc(C3CC3)no2)CC1 225838678 PLKJRLGITDCGHD-UHFFFAOYSA-N 401.511 2.512 0 50 HFAA COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c(C(=O)OC)c1C 229969075 WDISHEQPWKDDNP-CHWSQXEVSA-N 415.533 2.973 0 50 HFAA COC(=O)[C@H](NC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12)C(C)C 252536155 HRSJMJRWARDNMV-HXUWFJFHSA-N 408.454 2.927 0 50 HFAA Cc1cc(C(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)ccc1Cl 328605056 MCQYYLGNMKYTRB-KRWDZBQOSA-N 416.909 2.519 0 50 HFAA COc1cc(F)c(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cc1OC 1704280510 MIGBLSZXJGLEFJ-UNMCSNQZSA-N 403.450 2.723 0 50 HFAA C[C@H]1CN(C2CC2)CCN1C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 2100482211 HJUZPPLDNRYLFD-SFHVURJKSA-N 416.525 2.682 0 50 HFAA O=C(Cn1ncc(=O)c2ccccc21)N[C@H]1C[C@]12CCc1cc(Br)ccc12 2325818652 PHVXUBSZIAQVQM-FPOVZHCZSA-N 424.298 2.932 0 50 HFAA COC(=O)CN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 1138318 JOWTXZLFAQTVJU-VZUCSPMQSA-N 416.249 2.676 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCCCC1 6703567 VFMDKUBZERQORW-UHFFFAOYSA-N 400.500 2.829 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2sc(C)nc2C)CC1 12093256 LHUKTCVGAAHQMS-GOSISDBHSA-N 406.596 2.993 0 50 HFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 12386998 OWNRROXGNQUHAY-SFHVURJKSA-N 410.518 2.753 0 50 HFAA CCS(=O)(=O)N1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 19520357 VNSCEDGBUNIJQZ-UHFFFAOYSA-N 404.532 2.742 0 50 HFAA Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 20045069 WTDFOUHCQMYTHK-UHFFFAOYSA-N 403.335 2.542 0 50 HFAA O=C(Cc1ccc2c(c1)OCCCO2)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 36354028 PSWQBUQXBJRYDR-UHFFFAOYSA-N 419.481 2.856 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2C(F)(F)F)CN1Cc1cccc(O)c1 55074341 CAVHOIWRKFGQEJ-KSSFIOAISA-N 422.403 2.957 0 50 HFAA CS(=O)(=O)CC[C@@H](c1nc(-c2ccccc2)no1)N1C(=O)c2ccccc2C1=O 225525713 YMWHEKIPFFXMHZ-INIZCTEOSA-N 411.439 2.509 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCCc1nc2ccccc2[nH]1 252551814 UHLWRNHCXJYIMC-LJQANCHMSA-N 419.485 2.717 0 50 HFAA Cc1cccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299770830 MVSBLFWJSOFHFA-JOCHJYFZSA-N 413.493 2.800 0 50 HFAA CC(C)c1nc(CNC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)no1 828146958 KCVXADXLVBCWMO-UHFFFAOYSA-N 406.442 2.793 0 50 HFAA O=C1C[C@H](CNCc2cc3ccccc3nc2N2CCOCC2)CN1C1CCCC1 952985566 CHJMOIQBQNWOFU-GOSISDBHSA-N 408.546 2.952 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc(OC)c(OC)cc2F)cc1OC 1529112306 KANVSGBILWOFKO-FGZHOGPDSA-N 421.465 2.795 0 50 HFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@H]2CCn3nccc3C2)CC1 1857667848 YDYXZAVQCDIVKJ-KRWDZBQOSA-N 402.926 2.631 0 50 HFAA CCc1noc(CNC(=O)c2ccc(OC)c(Oc3cc(F)cc(CN)c3)c2)n1 1857684561 SNSBIFPNJRAHIF-UHFFFAOYSA-N 400.410 2.961 0 50 HFAA O=C(NCCCN1CCCC1=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857701349 PIDNGRUNFUIRHG-CQSZACIVSA-N 404.898 2.826 0 50 HFAA CN(CC(=O)N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1)Cc1ccncc1 1857734418 IXLPRVVMPRZWJK-UHFFFAOYSA-N 423.561 2.813 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](C(=O)OC)C3(CCC3)C2)(c2ccccc2)CC1 1875370659 XNRBCWKMYGYJFW-IBGZPJMESA-N 410.514 2.535 0 50 HFAA CCc1nc(O)ccc1C(=O)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197928 CESGLCXDIOEYRV-WMZHIEFXSA-N 412.486 2.650 0 50 HFAA COc1cccc([C@H](N=c2ccc3nnc(-c4ccccn4)n3[nH]2)c2nccn2C)c1 2325840271 VXPNHJOGZJQTQA-FQEVSTJZSA-N 412.457 2.552 0 50 HFAA CNC(=O)CN(C)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1c(C)cccc1C)C[C@H]2O 2356166214 XLZQSSZAAFOSRD-OQUNMALSSA-N 421.585 2.558 0 50 HFAA Cc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 880260 IVKCSWQATNWFCB-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA CCc1nnc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)O)cc4)cc3C2=O)s1 1163502 OVZPOPWJWJYMQC-UHFFFAOYSA-N 407.407 2.830 0 50 HFAA CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 3557714 SMSQOQAJRAMOEJ-UHFFFAOYSA-N 404.488 2.531 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 12021507 FHRMFTVTYSKNOB-FQEVSTJZSA-N 417.594 2.603 0 50 HFAA CCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccccc1OC 12099743 PPJYPODYFHBRDR-UHFFFAOYSA-N 408.502 2.793 0 50 HFAA CCOC(=O)N1CCC(N[C@H]2CCC(=O)N(Cc3ccc(OC)cc3)CC2)CC1 12219113 GJUUNMPOHGVBHL-SFHVURJKSA-N 403.523 2.787 0 50 HFAA O=C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CCN1 12315368 APAVGOIMLMEGNQ-UHFFFAOYSA-N 404.470 2.649 0 50 HFAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 12382146 ZJBIJSUYQLDEFH-MOKGIYGOSA-N 400.431 2.675 0 50 HFAA Nc1nonc1-c1noc(COc2ccc(Br)cc2Br)n1 12428442 QSKGTUQEHHYAEL-UHFFFAOYSA-N 417.017 2.806 0 50 HFAA CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 14980151 FUMLEVYYKBEBKN-IBGZPJMESA-N 400.498 2.778 0 50 HFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O 19771116 GDTNUBDCJPYULZ-GOSISDBHSA-N 412.467 2.646 0 50 HFAA CCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 23360639 IOBRWKKCGJIQLO-CTNGQTDRSA-N 407.002 2.881 0 50 HFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)nc1 72436837 HJYWSJFNXICIDZ-UHFFFAOYSA-N 418.457 2.615 0 50 HFAA CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1 169772929 STBVYJQFFQUDRT-SNVBAGLBSA-N 402.455 2.744 0 50 HFAA C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 170599753 SQZAUBZSEFMMCS-HDMKZQKVSA-N 409.502 2.617 0 50 HFAA CCn1nccc1-c1nc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)no1 221643144 VDBFXYOECSNOOQ-UHFFFAOYSA-N 401.492 2.830 0 50 HFAA CCOc1ccc(-c2nc(CN(C[C@@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 225571722 RGRLKYUPPHWHST-OAHLLOKOSA-N 424.588 2.969 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239174109 PHFVBFGLQBLXIV-ZVFUOGKTSA-N 407.466 2.553 0 50 HFAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1C(=O)N1CCCCCC1 245311380 OLVIEUISBAUOJQ-RBUKOAKNSA-N 424.563 2.635 0 50 HFAA CC(C)/C=C/C(=O)N1CCC([C@]2(Cc3ccccc3Cl)NC(=O)NC2=O)CC1 299768145 JOAUNEGNMGMRFL-CQQBXOTJSA-N 403.910 2.912 0 50 HFAA COc1cccc2c1OC[C@H](NC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2 824801352 NJYRNLHHFIYUTD-LJQANCHMSA-N 412.461 2.806 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)Cc4ccsc4)C[C@@]3(CN(C)C)C2)c(C)o1 1772707921 YHLAPBNDZPLAPG-AVRDEDQJSA-N 415.559 2.663 0 50 HFAA CCCc1ccc(CN2C[C@H]3CN(C(=O)c4nsnc4C)C[C@]3(CN(C)C)C2)o1 1772808748 AHJKWUSCQDIMHL-KKSFZXQISA-N 417.579 2.528 0 50 HFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCCc3nc(-c4ccncc4)no3)CC2)O1 1857709941 ZJPJJYGFVYSBJB-MSOLQXFVSA-N 414.506 2.765 0 50 HFAA CCCc1cnc(C)nc1N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857711774 LWOSBJYXTNCHSM-UHFFFAOYSA-N 424.549 2.554 0 50 HFAA Cc1ccc(C(=O)N[C@@H]2COCCN(C(=O)COc3ccccc3Cl)C2)cc1 1875361676 YXBWAJYWYGSMCC-KRWDZBQOSA-N 402.878 2.685 0 50 HFAA NS(=O)(=O)c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 1875389188 FWPMTICXVCLIQX-UHFFFAOYSA-N 411.527 2.834 0 50 HFAA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C 2325809484 AKKQLJFUOARIAX-KRWDZBQOSA-N 403.479 2.673 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(F)cc3NS(C)(=O)=O)ccc21 2325889786 VWEDJRGOVAEAAB-UHFFFAOYSA-N 417.462 2.915 0 50 HFAA CCOC(=O)CN(C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 14539679 NSGLDMFKJRAWRO-QGZVFWFLSA-N 404.555 2.517 0 50 HFAA O=C1CC[C@](CCC(=O)N2CCN(c3ccccc3)C(=O)C2)(Cc2ccc(F)cc2)N1 14885079 HAKUOBZFXOSKFS-DEOSSOPVSA-N 423.488 2.673 0 50 HFAA C[C@H]1CN(CCC(=O)NCC(C)(C)N2CCOCC2)Cc2cc(Cl)ccc2O1 15005499 XXNYVUCYKOEYCN-INIZCTEOSA-N 409.958 2.540 0 50 HFAA COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)c1 38163176 GYBRWYGHTJXDSF-RDJZCZTQSA-N 423.439 2.940 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnccc2C)CC3)no1 77470411 BRRJUIWZUPWQFY-UHFFFAOYSA-N 412.471 2.686 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)on1 82120102 XWPNRIJRDCVJOA-HXUWFJFHSA-N 411.550 2.713 0 50 HFAA Cc1cccc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1 91505409 GITGVLCRSKZRNF-NRFANRHFSA-N 407.562 2.778 0 50 HFAA COc1ccc2nc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)sc2c1 222434153 YFHZNJBODSYVNJ-HEHGZKQESA-N 406.533 2.969 0 50 HFAA COc1ccc(F)cc1CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 253406040 VFGYXMSAEPNSHT-UHFFFAOYSA-N 417.447 2.753 0 50 HFAA COc1ccc(-c2cc3n(n2)[C@H](NCc2ccc(OC)c(OC)c2)CNC3=O)cc1 263618681 UYSIXGTZVFPCIV-NRFANRHFSA-N 408.458 2.608 0 50 HFAA O=C(O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(F)c1 479563837 BXIRTSSXTKDDLJ-KRWDZBQOSA-N 406.435 2.706 0 50 HFAA C[C@@H]1c2nncn2CCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 481751100 QCCHKRUCEBCZHK-GFCCVEGCSA-N 409.450 2.943 0 50 HFAA CC(C)c1noc([C@@H](C)NC(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)n1 670457217 NHPZIBWRETZAJC-CQSZACIVSA-N 424.457 2.787 0 50 HFAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)c1ccc2c(=O)n3c(nc2c1)CCCCC3 683310065 PQYDILNTZCCQKZ-DEOSSOPVSA-N 417.465 2.779 0 50 HFAA CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 952974161 HQFGAWIPLJIPAJ-OAQYLSRUSA-N 422.529 2.795 0 50 HFAA COc1cccc(Oc2ccc(NC(=O)c3cn(C[C@H]4CCCNC4)nn3)cn2)c1 952986753 GAQHSTYJLDDRHS-HNNXBMFYSA-N 408.462 2.726 0 50 HFAA COc1cccc(OCCN2CCN(C(=O)c3ccc(-n4cccn4)c(F)c3)CC2)c1 1319385136 ZRSAWLJWNOZBEK-UHFFFAOYSA-N 424.476 2.857 0 50 HFAA Cc1ccc(C(=O)N2C[C@H]3CN(c4nnc(C)s4)C[C@@]3(CCC(=O)O)C2)cc1 1772812367 GPWDIXCXHFPLNC-OXJNMPFZSA-N 400.504 2.598 0 50 HFAA Cc1cnc(N2CCC3(CC2)OCCc2cc(C(=O)NC4CCC4)sc23)[nH]c1=N 1857703153 WHWVIYVLASHOAV-UHFFFAOYSA-N 413.547 2.610 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)CC1 1875365633 ILTLOIDHWYWFSO-SFHVURJKSA-N 401.532 2.568 0 50 HFAA C=CC(=O)N1CCC(C(=O)N(C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1875369502 RWNNPDVOIUJMSH-SFHVURJKSA-N 405.539 2.802 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1 1875371890 OYTZXMIUYNLAGC-CHWSQXEVSA-N 400.401 2.653 0 50 HFAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3Cc2ccc3cnccc3c2)CC1 2325744673 OOBAYBFAEZZGRU-UHFFFAOYSA-N 422.554 2.734 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3ccc4c(c3)OCO4)C1)CC2 2356146442 GXEXUDGESVWCKD-HSZRJFAPSA-N 408.502 2.711 0 50 HFAA COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 943834 KWQLPHONKKWVPD-NSHDSACASA-N 412.467 2.894 0 50 HFAA CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccccc2C)c1=O 9935470 ASBVVABDEDFJDN-UHFFFAOYSA-N 416.275 2.893 0 50 HFAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@H](O)CN1CCCCC1 11820398 CIPFRTAKEVVYPF-HXUWFJFHSA-N 402.539 2.584 0 50 HFAA CN(CC[C@@H]1CCCCO1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 12049839 IDALFGGUDBYPQY-INIZCTEOSA-N 401.463 2.739 0 50 HFAA COCCSc1nnc(CCNC(=O)C2(c3ccc(OC)cc3)CCCC2)n1C 12279334 ZQXHLAATRCINPW-UHFFFAOYSA-N 418.563 2.733 0 50 HFAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CO)(CCc2ccccc2)CC1 12429845 NAMYBARUUJWDND-UHFFFAOYSA-N 411.955 2.778 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CN2CCCCC2=O)C1 12702420 IBGUIAVHYYANHW-QFIPXVFZSA-N 404.482 2.553 0 50 HFAA CC(=O)N1CCC(N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)CC1 14746776 RRRJBIWIAUCGBS-NRFANRHFSA-N 419.541 2.522 0 50 HFAA CN1CCN(Cc2c(NC(=O)C(Cl)(Cl)Cl)oc3ccccc3c2=O)CC1 19203149 VINZOGLFQSGJKC-UHFFFAOYSA-N 418.708 2.849 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CNC3(c4ccccc4)CC3)c2)CC1 19340313 WDQCDQZOEDHFHI-QHCPKHFHSA-N 409.574 2.843 0 50 HFAA CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 19851165 ZXSAGOYIOSYZJN-UHFFFAOYSA-N 401.532 2.714 0 50 HFAA Cc1nonc1N1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 55089485 PWARHMXTBPQPTH-UHFFFAOYSA-N 408.384 2.693 0 50 HFAA O=C(N[C@H](O)C(Br)(Br)Br)c1ccc(F)cc1 71769992 DXAQCJFEDIJXPW-MRVPVSSYSA-N 419.870 2.712 0 50 HFAA Cc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 100427131 QNPPOHQNSDTRLK-GOTSBHOMSA-N 403.526 2.802 0 50 HFAA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 239347168 MGAWQAGSHLAJGP-MAUKXSAKSA-N 400.500 2.735 0 50 HFAA Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc(C)c1Br 239432975 XAMLEPRSSQACAL-ZPPJNMKPSA-N 422.275 2.745 0 50 HFAA COC(=O)c1cn(CCCc2nc(-c3ccc(Cl)cc3)no2)cc2c(=O)[nH]nc1-2 263588597 WBRILXLODIGMNB-UHFFFAOYSA-N 413.821 2.799 0 50 HFAA CCn1nc(C)c(NC(=O)CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1704340266 XUBJZLHPHQQFAX-WIYYLYMNSA-N 407.518 2.542 0 50 HFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857683113 CMICGPBFOWPFHF-HSZRJFAPSA-N 402.454 2.762 0 50 HFAA COCCC(=O)N1CCC[C@@]2(CN(Cc3cccc(OCC(C)C)c3)CC[C@H]2O)C1 1857684167 BKZCREWLABZXAW-ISKFKSNPSA-N 418.578 2.933 0 50 HFAA CC(C)(C)NC(=O)COc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)cc1 1857739678 NULNRYBPEUNZMT-UHFFFAOYSA-N 405.520 2.593 0 50 HFAA O=C(c1ccnc(NC2CCC2)c1)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 1875316294 GYQSQXMNEWCHJX-UHFFFAOYSA-N 403.490 2.794 0 50 HFAA CSC[C@H](NC(=O)C(=Cc1ccccc1F)NC(=O)c1ccccc1)C(=O)O 2049286245 FIXCNOZROSYGJD-KRWDZBQOSA-N 402.447 2.529 0 50 HFAA O=C1OC[C@H](C(=O)N[C@@H]2CCCCC[C@H]2NC(=O)c2ccc3c(c2)CCCS3)O1 2325872386 VJVZLAIMGKUDBI-BRWVUGGUSA-N 418.515 2.808 0 50 HFAA CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1)C(=O)O 2325877708 YKBSUKDYBQBINQ-QKKBWIMNSA-N 424.497 2.880 0 50 HFAA O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 716858 YZXUALRIOJRHRR-UHFFFAOYSA-N 423.402 2.724 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1COc2ccccc2O1 913122 VUQSIXJQUSJEHO-MRXNPFEDSA-N 417.468 2.722 0 50 HFAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2)CC1 1454298 JCVZUFUUAGOVGF-UHFFFAOYSA-N 413.543 2.824 0 50 HFAA CN(C)CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 4957877 DBWIYXLNKGIGDI-UKTHLTGXSA-N 413.293 2.590 0 50 HFAA COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)c1 11764636 WRYIVPVQUDUABF-SFHVURJKSA-N 407.470 2.960 0 50 HFAA Cc1nn(CC(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(=O)c2ccccc12 11816455 HDJJXFOUSBBPPG-FQEVSTJZSA-N 404.514 2.828 0 50 HFAA C[C@]1(C2CCN(Cc3ccccn3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O 12157110 CHNHKVJRWQOKCJ-XMMPIXPASA-N 404.514 2.772 0 50 HFAA COCc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)o1 12298264 MDZDLMYKISTUTR-INIZCTEOSA-N 408.520 2.625 0 50 HFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)CCC2=NNC(=O)CC2)CC1 12439007 DAHOJEGWDHUZIJ-UHFFFAOYSA-N 413.518 2.837 0 50 HFAA CCOC(=O)c1[nH]ncc1CN1CCc2c(cccc2NC(=O)c2ccncc2)C1 20911391 ZUMWWDSKDSIHCX-UHFFFAOYSA-N 405.458 2.792 0 50 HFAA CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 35354319 PDYCCCVVRQIIHF-HXUWFJFHSA-N 401.532 2.755 0 50 HFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 65362892 KJTASSPHAVALGB-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA O=C1[C@@H]2[C@H](C(=O)N3CCC[C@H]3c3ccccc3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77555601 REHVRXLSGXYQAP-SREISXPZSA-N 415.493 2.727 0 50 HFAA O=C(CN1CCCCc2c(Br)cccc21)N1CCN(C(=O)C2CC2)CC1 170594161 SSWGZTNDKYUGOK-UHFFFAOYSA-N 420.351 2.673 0 50 HFAA CCCCS(=O)(=O)N1CCC(C(=O)NC[C@](C)(Cc2ccccc2)[C@H](C)O)CC1 170611700 WCNBIQOMNNLGFQ-AVRDEDQJSA-N 424.607 2.574 0 50 HFAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239306119 GLLCMJANBCAWNW-IIIIREBLSA-N 413.857 2.508 0 50 HFAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 328607949 XRFDNTOAXCHUHP-OAGGEKHMSA-N 410.474 2.584 0 50 HFAA COc1ccc(-c2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)nn2-c2ccccc2)cc1 494736196 CBESRHXUVJOGCE-INIZCTEOSA-N 404.470 2.851 0 50 HFAA O=C(NOCC(F)F)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 760143785 JSFMJLPQSXPZED-UHFFFAOYSA-N 410.384 2.863 0 50 HFAA CC1CCN(C(=O)COc2ccc(CN3C[C@H](Cc4ccccn4)[C@@H](O)C3)cc2)CC1 1615734194 BPEPKECEQVYLAY-URXFXBBRSA-N 423.557 2.754 0 50 HFAA Cc1cccc(CS(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)c1 1857528208 WGDDOFCTRINHDR-UHFFFAOYSA-N 416.478 2.718 0 50 HFAA CCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCn2ccnn2)CC1 1857695930 FJPIMTDVUICNAQ-UHFFFAOYSA-N 403.534 2.569 0 50 HFAA O=C(c1ccc2c(c1)CCCO2)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857735095 HZMLBTOVGDZNGB-IMSXRSKXSA-N 404.466 2.926 0 50 HFAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(Cc4c(-c5ccccc5)nc5ncccn45)C[C@@H]13)O2 2356136169 IXQMOUOKPIUXIW-HGBASVHRSA-N 403.530 2.937 0 50 HFAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1C 630789 TUWVAWWDTJUNCI-UHFFFAOYSA-N 416.543 2.871 0 50 HFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 994641 CUCHZXSDJHHHIW-UHFFFAOYSA-N 403.387 2.538 0 50 HFAA COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)c(OC)c1 1137466 WAYAXWLXRQUXRL-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccco1 2890464 LEBONLQEWLUVQP-UHFFFAOYSA-N 406.504 2.894 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 10331096 XPTANSQKKRXOOQ-UHFFFAOYSA-N 424.748 2.559 0 50 HFAA Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)c(=O)[nH]c1C 11844276 JISPXKCTZMKGFQ-OAHLLOKOSA-N 401.894 2.927 0 50 HFAA CC(C)(CNC(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCOCC1 12052942 XHWWVALYEHJWPS-HSZRJFAPSA-N 423.557 2.849 0 50 HFAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2CCCCN2C)CC1 19147993 DOUQBJMTDQTHRO-QFIPXVFZSA-N 407.562 2.817 0 50 HFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1 39403965 NMOWJHQGKLKQIE-UHFFFAOYSA-N 400.435 2.906 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(I)c2)CC1 45862805 DYWUNSKOZOZBCR-UHFFFAOYSA-N 416.259 2.984 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 67604978 HHGSFCDMUYVQMM-UHFFFAOYSA-N 417.513 2.737 0 50 HFAA O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 165865768 JMQHDPGEFRNBMV-XBJMDHIQSA-N 405.498 2.551 0 50 HFAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 230140182 KLVTYKAAOHEMGM-YQQAZPJKSA-N 419.497 2.988 0 50 HFAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1cc(C=O)c2ccccc21 253405202 IMXFRIWNYSNADC-UHFFFAOYSA-N 421.453 2.712 0 50 HFAA CCOC(=O)c1cc(S(=O)(=O)Nc2csnc2C(=O)OC)c(F)cc1Cl 253424690 JTBOALZSDHYSFP-UHFFFAOYSA-N 422.843 2.700 0 50 HFAA Cc1nc(-c2cc(NC(=O)[C@H]3CCc4nnc(C)n4C3)cc(C(F)(F)F)c2)n[nH]1 1452038568 BWOUZEALWZTMSB-NSHDSACASA-N 405.384 2.900 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)N[C@H]3COC[C@@H]3Cc3ccncc3)CC2)cc1 1616081859 QXGSKJPTXBWBQM-VXKWHMMOSA-N 407.514 2.616 0 50 HFAA OC[C@@]12CN(Cc3nccs3)C[C@@H]1CN(C1CCN(c3ccc(F)cc3)CC1)C2 1772711092 YQCSZIQVDBMGSY-VGSWGCGISA-N 416.566 2.677 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(OC)cc2)C1 1857690736 QSKRMZVOKOOHFX-ZFGGDYGUSA-N 415.578 2.524 0 50 HFAA O=C(OCCc1ccc2c(c1)CCO2)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 2325870923 UUXAHJSPAIQCKC-HXUWFJFHSA-N 415.511 2.702 0 50 HFAA Cc1c(C(=O)N2C[C@H]3C[C@@H](NC(=O)c4cncs4)CC[C@H]3C2)sc2nccn12 2325876075 JWPAANJHQWLOCZ-MJBXVCDLSA-N 415.544 2.831 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(c4cc(N)ncn4)C3)[C@@H]3CCCC(=O)N23)c1 2356154113 ILHSQWWOMIWQDW-UMGGQSCQSA-N 407.518 2.516 0 50 HFAA COc1cccc(CC2(C(=O)N3CCC4(CC3)OCCc3ccsc34)CNC2)c1 2356159807 RAKGVPSBOSOUTQ-UHFFFAOYSA-N 412.555 2.979 0 50 HFAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1Br)CCCC3 651008 LUIMTQRUOVSPMU-UHFFFAOYSA-N 422.308 2.525 0 50 HFAA COCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 2958244 XLZLGCBJPYFPQN-UHFFFAOYSA-N 416.421 2.663 0 50 HFAA COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)cc1 3020257 REKBEBABTZSQBS-UHFFFAOYSA-N 406.479 2.939 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697493 ZLANLSMOQLXPEC-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 11818530 USKBMUWBGQOZIX-KRWDZBQOSA-N 403.523 2.945 0 50 HFAA O=C(NCc1cccc(F)c1F)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12052833 YMDLSOJCJOYGLV-KRWDZBQOSA-N 405.489 2.694 0 50 HFAA CS(=O)(=O)c1ncc(CN(Cc2ccccc2)CC2CC2)n1C[C@H]1CCCO1 12316943 PFWRXZZCHNJFSS-HXUWFJFHSA-N 403.548 2.878 0 50 HFAA COC(=O)[C@@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 12428110 YGFNCFGLKQFTIY-KRWDZBQOSA-N 421.482 2.639 0 50 HFAA COc1ccc(CCc2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)cc1 19791093 SHAPIQKUTFTEGO-UHFFFAOYSA-N 412.534 2.883 0 50 HFAA O=C1c2ccccc2C(=O)N1CN1CCN(Cc2ccccc2Br)CC1 20045361 MQKCAFAHONVQHF-UHFFFAOYSA-N 414.303 2.820 0 50 HFAA COc1ccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)c(F)c1 104313849 LBYMKUNACGGNQD-MRXNPFEDSA-N 400.585 2.552 0 50 HFAA CN(C)c1cccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1 169778636 OQCQRQOWPLGMAT-UHFFFAOYSA-N 407.478 2.749 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239135351 LCTXSWVICRZEPS-FXEQNPHBSA-N 421.493 2.799 0 50 HFAA COc1ccc([C@@H](CC(=O)NC(C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC 253412869 SIEYBPSSPKBDFI-CQSZACIVSA-N 405.447 2.726 0 50 HFAA biogenic O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC(N2CCCNC2=O)CC1 748905854 FXBKOTUBZILQOR-UHFFFAOYSA-N 421.423 2.911 0 50 HFAA Cc1c(NC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)n[nH]c1C(C)C 1465900154 MRGWZDDFIDALAF-UHFFFAOYSA-N 420.901 2.957 0 50 HFAA CC[C@@H](N=c1[nH]c(C(F)F)nc(=N)[nH]1)c1cc(OC)c(OC)cc1Br 1875334844 HQHOOVDZYWQVMO-SECBINFHSA-N 418.242 2.987 0 50 HFAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c(C)cccc3F)C2)CCC1=O 2325864190 IMKRUWGEBWWHNH-SJORKVTESA-N 403.498 2.504 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(Cn2cccn2)CC1 2356145453 NLFVFFXTZTUPNY-UHFFFAOYSA-N 400.548 2.648 0 50 HFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I 728211 WARCGMRPZFWALK-ZDUSSCGKSA-N 400.216 2.824 0 50 HFAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(CCS(=O)(=O)c2ccc3ccccc3c2)S1 859531 VXYYQYLMYACMOO-LJQANCHMSA-N 419.528 2.722 0 50 HFAA COc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1155167 KAPAHEHTTSEGHO-HNNXBMFYSA-N 413.904 2.855 0 50 HFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 1187651 PRMHTLRRSMUGEA-UHFFFAOYSA-N 414.815 2.848 0 50 HFAA CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C 5713956 SXSUKFQJCFUOTC-UHFFFAOYSA-N 402.580 2.938 0 50 HFAA CC[C@@H](C)C(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)c2cccs2)C1 12182551 KBFKTYRELHZITO-CYBMUJFWSA-N 407.561 2.861 0 50 HFAA COCCn1c(CN2CCCC[C@@H]2c2nccs2)cnc1S(=O)(=O)CC1CC1 12445996 UQIXOBAISFVVHU-QGZVFWFLSA-N 424.592 2.897 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@H]1CCSC1)CC2 14746345 RBCWGAFAHOCPDE-SFHVURJKSA-N 402.564 2.842 0 50 HFAA O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 15066063 TXEXGZFQIHVDJK-OAQYLSRUSA-N 411.571 2.920 0 50 HFAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2cc(C)c(C)[nH]c2=O)CC1 19228961 VXJSGWGFUQGOBX-KRWDZBQOSA-N 404.507 2.736 0 50 HFAA Cc1ccn(CC(=O)N(Cc2cc3ccc(F)cc3nc2N2CCOCC2)C2CC2)n1 19885074 XNBKXODPYPKDHD-UHFFFAOYSA-N 423.492 2.907 0 50 HFAA CCOC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77340830 FMQLJMRZDASOLM-UHFFFAOYSA-N 404.488 2.559 0 50 HFAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(C)(C)C)CC2 77439274 PMNYLYWPBAZQDC-UHFFFAOYSA-N 407.561 2.895 0 50 HFAA O=C(NCCc1ccccn1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82172091 XFQMSULXLWMZSU-OAQYLSRUSA-N 407.562 2.512 0 50 HFAA CCOC(=O)c1c[nH]c2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c1=O 102826351 QJJYUIWOFMFUCM-UHFFFAOYSA-N 419.441 2.785 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1 206241211 AESHWVOODVVSIO-GOSISDBHSA-N 406.442 2.636 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H](CC)CN1CC(C)(C)O 230255721 PJCJLBWSTCSOOH-ROUUACIJSA-N 400.527 2.745 0 50 HFAA Cc1nc(CCC(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3=O)C2)n[nH]1 426693882 UZGAQUIXZDGLFV-JOCHJYFZSA-N 401.555 2.857 0 50 HFAA CCC[C@H]1[C@@H](C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 464180809 HNIYUJQZTXAPJN-HOCLYGCPSA-N 400.566 2.810 0 50 HFAA Cn1ncc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1Cc1ccccc1 469763135 GAMXFWKZVAXNQH-NRFANRHFSA-N 404.514 2.508 0 50 HFAA Nc1c(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cnn1-c1ccccn1 498211413 HOVDJKKLLYNCIC-LBPRGKRZSA-N 400.845 2.651 0 50 HFAA O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H](c1ccccc1)N1CCCCCC1 670465125 XFEXXKFGCQSPCE-QFIPXVFZSA-N 420.517 2.775 0 50 HFAA O=C(NCc1csc(-c2cnccn2)n1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 827696491 PSPLFXQYUJOUBY-LBPRGKRZSA-N 413.890 2.923 0 50 HFAA COc1ccc(NC(=O)c2cccc(OCC(=O)N3CCCCC3)c2)c2nonc12 952864099 XYJJEFOVTGFVSY-UHFFFAOYSA-N 410.430 2.875 0 50 HFAA C[C@@H](C1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)CC1)N1CCN(C)CC1 1506417328 IQKRSBKJFOYLIN-HNNXBMFYSA-N 400.498 2.568 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(OC(F)F)cc2)cc1OC 1529173841 QEYIQVKZQCZYJL-RTBURBONSA-N 423.412 2.880 0 50 HFAA CN(CCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704326409 WFZQGJRNYGGFOM-LVCYWYKZSA-N 404.986 2.699 0 50 HFAA CC(=O)N1C[C@H]2CN(C(=O)CSCc3ccccc3Cl)C[C@]2(CCC(=O)O)C1 1772805321 KLCRYWARKSCQEN-JXFKEZNVSA-N 424.950 2.745 0 50 HFAA O=C1COc2ccc(C(=O)N[C@H]3CC[C@H](CN4Cc5ccccc5C4=O)CC3)cc2N1 1775942422 LEXQVOFNJQRJJZ-RZDIXWSQSA-N 419.481 2.962 0 50 HFAA CN1CCN(c2ncc(CN3CCC(c4nc5cccc(F)c5[nH]4)CC3)cn2)CC1 2325720049 NPDFYPRTLMJLFD-UHFFFAOYSA-N 409.513 2.623 0 50 HFAA CN(C)c1cc(Br)ccc1C(=O)NCc1ccc(-c2nc(=O)o[nH]2)s1 2325849803 AXCZYTHQYHUPEG-UHFFFAOYSA-N 423.292 2.850 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3nc(-c4ccncc4)n[nH]3)C2)c2cccc(=O)n21 2356137777 ZDJCNCYQGGZGLQ-KSZLIROESA-N 418.501 2.558 0 50 HFAA COC(=O)c1nn(-c2ccc(C)cc2C)c(I)c1C(=O)OC 1100674 IHBKDTUACUIKNL-UHFFFAOYSA-N 414.199 2.667 0 50 HFAA COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 2871597 MOSPGCNMZMLMON-UHFFFAOYSA-N 407.517 2.509 0 50 HFAA C=CC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl 5495534 OMZWNUDZMNEFOV-GFCCVEGCSA-N 409.726 2.930 0 50 HFAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cccc4ncccc34)CC2)O1 11814882 KWWZROUXCNYCRA-LJQANCHMSA-N 419.529 2.912 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCn2cncn2)C1 12204897 HYMIUENWDROKJO-HNNXBMFYSA-N 419.913 2.988 0 50 HFAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O 12207251 OPTQECLEVFDSNN-JPYJTQIMSA-N 416.518 2.520 0 50 HFAA CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1C(C)(C)O 17094061 QFFXESKPELBHJY-UHFFFAOYSA-N 424.548 2.593 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCN(C)CC3)c2)CC1 67602025 USWOKYSQECYLFS-UHFFFAOYSA-N 413.971 2.585 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1OC 72410950 MDNUJCMXSOCPMP-HSZRJFAPSA-N 401.551 2.613 0 50 HFAA CC[C@@H](O)CNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72447370 UTXQLITXWXSMAL-MRXNPFEDSA-N 414.893 2.727 0 50 HFAA C[C@@H]1Oc2c(cccc2C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)NC1=O 170621577 HGSSTRGNLQQMIM-HNNXBMFYSA-N 409.442 2.753 0 50 HFAA COc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](NC(=O)COc4cccc(C)c4)[C@@H]3C2=O)cc1 229648570 RGCCJKOSPLTQPG-KCZVDYSFSA-N 420.465 2.633 0 50 HFAA CC(=O)NC(C)(C)c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 253425513 FLKVHVVXMJSLAS-NSHDSACASA-N 407.268 2.724 0 50 HFAA COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c(OC)c1 299790060 AOSKJSTXHNPJPV-UHFFFAOYSA-N 401.511 2.518 0 50 HFAA CS(=O)(=O)NC1CCN(C(=O)c2ccc(CSc3ccccn3)cc2)CC1 828157754 JBIPLTAABXIUFU-UHFFFAOYSA-N 405.545 2.528 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cn(-c3ccccc3)nn2)CC1 1506425292 ABOMKTBDHQBQNN-UHFFFAOYSA-N 404.518 2.832 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 1875256757 FSZOLPLFFZSMLR-LJQANCHMSA-N 404.474 2.894 0 50 HFAA CC[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC)c2noc(C)n2)cc1)c1noc(C)n1 2325739477 OSSUNRGEMYJCCS-HOTGVXAUSA-N 412.450 2.832 0 50 HFAA COc1cccc(OCCN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356151542 MZBOKTJNFNBDRU-YDHSSHFGSA-N 402.535 2.835 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(OCc2ccccc2)cc1 2872339 ZKBNVPAICOHKMC-UHFFFAOYSA-N 414.483 2.941 0 50 HFAA Cc1n[nH]c(O)c1[C@H](c1cccc(I)c1)c1c(O)n[nH]c1C 4663864 UNZVIEUSJNJXBJ-UHFFFAOYSA-N 410.215 2.946 0 50 HFAA CCc1cc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1 11840177 QDOFDDIEFBZJJE-SFHVURJKSA-N 415.465 2.960 0 50 HFAA CSc1ccc(C[C@]2(CCC(=O)N(C)CCc3cnn(C)c3)CCC(=O)N2)cc1 11872507 NYIVZRQWLBSSIR-JOCHJYFZSA-N 414.575 2.815 0 50 HFAA O=C(NCCc1cn2ccccc2n1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11935533 NYBHPMAJIBSBHQ-HXUWFJFHSA-N 404.514 2.864 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1F 13590992 DSVCSZTWDQSWBX-ITICKHJUSA-N 422.481 2.937 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 14755652 SCADDPOZGJXHBF-UHFFFAOYSA-N 408.502 2.527 0 50 HFAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3(C)CC3)CC2)c(Cl)c1 14957063 GABNDMZJSNSBAK-UHFFFAOYSA-N 407.942 2.801 0 50 HFAA Cc1cc(C)c(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 19367199 AYCYOSZYAUIZTP-NRFANRHFSA-N 412.530 2.898 0 50 HFAA CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc(Br)cc1 20614237 SVNOJOXVATXXTL-UHFFFAOYSA-N 423.130 2.766 0 50 HFAA CCOC(=O)[C@H]1CC2=C(C[C@@H]1C(=O)OCC)C[C@@H](C(=O)OCC)[C@H](C(=O)OCC)C2 43763036 YNQKNULDIXEKQJ-BALXVJCKSA-N 424.490 2.588 0 50 HFAA COc1ccc(CNC(=O)c2cccnc2C(=O)NCc2ccc(OC)cc2)cc1 95495582 IARGPDKLIDYILP-UHFFFAOYSA-N 405.454 2.959 0 50 HFAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100578531 AVWGGFRYGBQBJS-GOSISDBHSA-N 415.490 2.863 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(F)cc4)ccn3n2)c1 169777068 CMNZPAOOXSMPNJ-UHFFFAOYSA-N 420.444 2.670 0 50 HFAA CCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2cnc3onc(CC)c3c2)cc1 241316896 LVWBKUCBKWPCDE-IBGZPJMESA-N 400.504 2.683 0 50 HFAA CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)NCCCOC[C@H]2CCOC2)C1 253417390 WVIWNBGXJRJZSR-KGVIQGDOSA-N 410.555 2.973 0 50 HFAA CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 263615247 BJGYUGCNVIRCEF-HXUWFJFHSA-N 410.518 2.841 0 50 HFAA CCN1CCCN(c2cc(C(F)(F)F)nc(N3CCCN(CC)CC3)n2)CC1 301509587 HYMHIFRJEZWETR-UHFFFAOYSA-N 400.493 2.559 0 50 HFAA COc1ccc2cc1OCCNCc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857740556 JPHUQAOEARRPMU-UHFFFAOYSA-N 420.513 2.862 0 50 HFAA C=CC(=O)Nc1cc(NC(=O)CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F 1875369485 RCRIEOFTMXXHSS-AWEZNQCLSA-N 407.442 2.915 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(CCCc2ccccc2)CC1 2100482657 PALAHGVDIRQOCD-UHFFFAOYSA-N 408.546 2.931 0 50 HFAA CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CC(Cc2cn(-c3cccc4ccccc34)nn2)C1 2325851137 QAMSCWCDBOFOSZ-BTYIYWSLSA-N 420.517 2.504 0 50 HFAA COCCn1ccc(-n2nc(C3CC3)nc2-c2ccc3c(c2)C(C)(C)C(=O)N3C)n1 2325873110 ZRSLYCJTWAVFOS-UHFFFAOYSA-N 406.490 2.909 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC[C@H]1[C@@H]1CCN(C(=O)c2cncc3nc[nH]c23)C1 2332239577 QRQHSMFBXLCMJV-QRWLVFNGSA-N 419.485 2.739 0 50 HFAA O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 858092 MMKIKYYBMRHEPS-NVXWUHKLSA-N 403.818 2.700 0 50 HFAA CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 2696520 RLTVRLFPXXUJGL-UHFFFAOYSA-N 402.472 2.720 0 50 HFAA Cc1cc(C)n(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c(=O)c1 2787144 VCHOZMQBCINBJB-UHFFFAOYSA-N 421.217 2.912 0 50 HFAA CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4689440 BSDFIWKZXGOOMK-LJQANCHMSA-N 401.463 2.509 0 50 HFAA CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCC(C)CC2)n1C 10803293 XOBWGUFJHFPCNT-UHFFFAOYSA-N 415.563 2.909 0 50 HFAA C[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 11788298 YHLKFHMELWFJJK-OPAMFIHVSA-N 419.953 2.547 0 50 HFAA C[C@H](C(=O)N1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1 11969712 VGZVFRHOKBIADE-FYSMJZIKSA-N 423.488 2.989 0 50 HFAA Cc1ccccc1-c1cccc(CNCCCn2cc(C(=O)N3CCOCC3)nn2)c1 14981681 RSQKOIUSRPKYKY-UHFFFAOYSA-N 419.529 2.906 0 50 HFAA COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)c(F)c1 39532753 ADTOZRAIIHACHQ-GOSISDBHSA-N 412.509 2.790 0 50 HFAA CN(Cc1ncc[nH]1)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67757780 LRUBSDXPNPEXOS-VMPITWQZSA-N 420.517 2.501 0 50 HFAA O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82108060 LXFBMVCUJXLONU-NRFANRHFSA-N 408.546 2.780 0 50 HFAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)Cn1ccccc1=O 95512031 CQLPWCPQPDNWPV-IBGZPJMESA-N 401.938 2.915 0 50 HFAA COCCN1C[C@@]2(CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CCC1=O 95523012 JNDSVDYLQHYYMP-JOCHJYFZSA-N 402.539 2.949 0 50 HFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 116031752 SJMXTAMGEGPJRF-LBPRGKRZSA-N 423.494 2.905 0 50 HFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(CC)CC)cc1 169293149 PINLPLCLAXZGLQ-URFJDIBFSA-N 419.518 2.699 0 50 HFAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cccc(F)c1 169764810 RKVHPJQBYKYLBC-GOSISDBHSA-N 415.808 2.995 0 50 HFAA C[C@@H]1[C@@H](C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1C(=O)OC(C)(C)C 170605147 VEGOHEUOUHPTFJ-CVEARBPZSA-N 413.522 2.857 0 50 HFAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(N)=O)C1 239173970 PAJFERHLFUXCEV-FKHLYAMYSA-N 406.504 2.569 0 50 HFAA COc1ccc([C@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 239235384 VWIWPYCZKOWENP-NQIIRXRSSA-N 418.501 2.767 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C/C=C/c1ccccc1)CC2 299800909 JLNWECALFGYFJC-JXMROGBWSA-N 407.514 2.664 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 483586399 WOWDHIMXPHDUDW-APWZRJJASA-N 419.485 2.563 0 50 HFAA CN(c1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1)S(C)(=O)=O 952962451 DOHBYBWIYIHEQF-IBGZPJMESA-N 404.488 2.893 0 50 HFAA Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330493 XETSBLSHXDZKFS-JOCHJYFZSA-N 423.542 2.854 0 50 HFAA COc1ccc(C2=CC(=C(O)N=c3cc(C)[nH]n3[C@H]3CCS(=O)(=O)C3)N=N2)cc1 2083582970 XIWRGKJGIKIDHI-AWEZNQCLSA-N 415.475 2.628 0 50 HFAA Cc1ccccc1C(=O)N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl 808688 HKWBQUKZMKYJDD-ZDUSSCGKSA-N 410.754 2.628 0 50 HFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 1142079 YPQKRQQZTWUOFN-AWEZNQCLSA-N 421.494 2.759 0 50 HFAA O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)O)c1 4756962 KJEWUDFRXIKMOW-UHFFFAOYSA-N 400.206 2.646 0 50 HFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCc2nc3ccccc3[nH]2)c1=O 11784801 MSXJOPBEAMBEMT-UHFFFAOYSA-N 409.490 2.621 0 50 HFAA COc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)ccc1O 12431575 VIVPPFZRUCWNSO-GOSISDBHSA-N 403.567 2.946 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 12586971 QEYFVDQXMKSQFZ-FQEVSTJZSA-N 421.545 2.766 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12596357 VQIIZDDHZBQMRN-IBGZPJMESA-N 409.486 2.674 0 50 HFAA O=C(NCCCN1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 13667584 AYLHOVFEXVSELD-UHFFFAOYSA-N 413.971 2.730 0 50 HFAA COc1cc(CNC(C2CC2)C2CC2)ccc1OC[C@@H](O)CN1CCSCC1 15064422 ZPQLWKUUBMSLAX-IBGZPJMESA-N 406.592 2.762 0 50 HFAA Cn1cnnc1SCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19278314 JBSZBJYSSXTYDW-UHFFFAOYSA-N 407.543 2.841 0 50 HFAA CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cn1 20044989 UOYNIGWPQDJUSX-UHFFFAOYSA-N 403.335 2.716 0 50 HFAA CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 20481822 YLDZKEKLSCFOEK-UHFFFAOYSA-N 411.568 2.548 0 50 HFAA COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c(OC)c1 61719286 CHRVAHIQUFSQNU-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA COc1ccc(Br)c(C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 170591275 PJNJUBJFORUBAU-DYVFJYSZSA-N 408.296 2.920 0 50 HFAA O[C@H]1CN(c2ncccc2Cl)CC[C@@H]1N1CCN(CCc2ccccc2)CC1 214953215 ZQPKNCBMDBVPLV-SFTDATJTSA-N 400.954 2.535 0 50 HFAA CCOC(=O)c1csc(CCNC(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)n1 299769435 NFIYJUOZOIIJDE-MRXNPFEDSA-N 405.451 2.505 0 50 HFAA CCc1ccc(CN2C[C@@H](C(=O)Nc3ccc(OC)c(C(=O)N(C)C)c3)CC2=O)cc1 823517597 IYKPWQGLSSOIFW-SFHVURJKSA-N 423.513 2.947 0 50 HFAA COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc(-c3n[nH]c(C)c3C)o1)C2 824804714 IARXUBFPODJDMI-AWEZNQCLSA-N 403.460 2.577 0 50 HFAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2 1704308821 LLJUZICKGBEPAU-CVEARBPZSA-N 402.535 2.916 0 50 HFAA CCCC(=O)c1cn(CC(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c2ccccc12 1704351940 MNWXFPKXFJQMNR-OPAMFIHVSA-N 408.502 2.718 0 50 HFAA COc1cccnc1CN1C[C@@H]2CN(Cc3scnc3C)C[C@@]2(CCC(=O)O)C1 1772808190 IGONUEYZTKBSCN-IIBYNOLFSA-N 416.547 2.654 0 50 HFAA C=CC(=O)N[C@H]1CN(C(=O)c2cc(-c3ccn(C)n3)on2)CC[C@@H]1c1ccc(F)cc1 1875383301 OBUSXLBQTFLLSF-APWZRJJASA-N 423.448 2.515 0 50 HFAA Cc1cc(F)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819609 KUBGIOGIPAMEEE-GOEBONIOSA-N 404.463 2.549 0 50 HFAA COc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 879918 DLHRNJBQRBMQKY-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 2880260 DZRUUJYRFXDOAO-HNNXBMFYSA-N 404.488 2.868 0 50 HFAA CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(C(=O)OC)o1 4204791 NLTFNNXKOGTGNP-DYVFJYSZSA-N 407.444 2.832 0 50 HFAA CC[C@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 4698959 LYGQFQMZLSHWHN-CVEARBPZSA-N 419.503 2.795 0 50 HFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cn2nc(Cl)ccc2=O)c1 12455575 GMXWHUFUNZPQEL-QGZVFWFLSA-N 411.893 2.893 0 50 HFAA COc1ccc2cc([C@@H](C)NC(=O)Cn3nnnc3CN3CCC(C)CC3)ccc2c1 12593687 DNJNSRGNPXTCBC-QGZVFWFLSA-N 422.533 2.944 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCCc1ccccn1)CC2 14535326 NSDATQSKQRYVFI-HXUWFJFHSA-N 403.530 2.777 0 50 HFAA COc1cccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)c1 14744528 HVNKNXUQASBVFM-UHFFFAOYSA-N 422.529 2.952 0 50 HFAA Cc1nc(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cs1 55107953 KKQZQJZLMYLYJK-SFHVURJKSA-N 402.539 2.946 0 50 HFAA CCN(CC)C(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82091835 MMCQNRVWUWONNV-NRFANRHFSA-N 414.594 2.984 0 50 HFAA CN1CCC(N(C)C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1 91651172 WDOVXTFQIKUGQK-UHFFFAOYSA-N 409.317 2.834 0 50 HFAA Cc1ccccc1N1CCC(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)CC1 91966335 IBJYDIRQJIVHAV-QPPBQGQZSA-N 401.595 2.759 0 50 HFAA COc1cccc(-c2cc(C(=O)N3C[C@H]4CC[C@H]3C4)cc(-n3cnnn3)c2)c1OC 102376180 JXIIEFYRWMKSOJ-YOEHRIQHSA-N 405.458 2.971 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)cc1 245256356 PPCULKCDHKMEBI-WKILWMFISA-N 403.504 2.814 0 50 HFAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 328592113 UXJMDXRTXBNUSI-SOUVJXGZSA-N 406.429 2.863 0 50 HFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328603151 FDZHJNUANXDXOC-GOSISDBHSA-N 419.485 2.894 0 50 HFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)on1 952970391 KOTLFWIOSZJKEA-GOSISDBHSA-N 407.536 2.690 0 50 HFAA COCCn1nc([C@H]2CCOC2)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857679518 XQCHSNXBSCLOBB-INIZCTEOSA-N 412.494 2.657 0 50 HFAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CCCC12CCN(Cc1cncnc1)CC2 1857727911 FLGOJIRIJOJZKX-OAQYLSRUSA-N 404.518 2.847 0 50 HFAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(C(=O)c3nc(C)n4c3CCCC4)CC2)c1 1875261173 APJMQCPFFJJETC-GOSISDBHSA-N 424.545 2.897 0 50 HFAA CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1)c1ccc(F)cc1 1875326263 OEDUYCSGENJPJN-NSISKUIASA-N 402.441 2.769 0 50 HFAA CSC1(C(=O)N[C@@H]2CN(C(=O)c3occc3Br)CC[C@H]2C)CC1 1875345563 BRCPMZRQVGYCOW-ZYHUDNBSSA-N 401.326 2.905 0 50 HFAA CCOC(=O)[C@@]1(NC(=O)Cc2csc(N3CCCC3=O)n2)CC12CCCCC2 2325827211 ZIQQTKXLZGGAEQ-FQEVSTJZSA-N 405.520 2.585 0 50 HFAA CCc1c(NC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C 2325851615 DWUFOOFMLGIXKH-INIZCTEOSA-N 408.433 2.942 0 50 HFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccccc2OC(F)(F)F)C1=O 2356145163 DJOPCMMIQOLVNG-GOSISDBHSA-N 400.397 2.829 0 50 HFAA CC(C)N1C(=O)CO[C@H](C(=O)NCCOc2ccc(F)cc2)[C@H]1c1ccccc1 2356164934 MFIKXARGNHSCNB-RTWAWAEBSA-N 400.450 2.698 0 50 HFAA Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc3ccccc23)n(C)c1=O 2426287 IAGDZZSIVHLVCH-UHFFFAOYSA-N 403.486 2.626 0 50 HFAA O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2991469 LXBSAOZQBKKSMC-UHFFFAOYSA-N 409.514 2.886 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)c(C)c1 11697865 AQSIAFAAFUVTSB-UHFFFAOYSA-N 412.519 2.931 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)CC1 11947124 VCGVJYCBJSLVRQ-LJQANCHMSA-N 404.530 2.642 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3Cc3cnc(N)nc3)cc2)n1 12075548 AGTGCIMUUVZCNG-HXUWFJFHSA-N 405.506 2.855 0 50 HFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C1CCSCC1)CC2 14532139 BYZXWVRSVURSNW-UHFFFAOYSA-N 402.564 2.638 0 50 HFAA CC(C)NC(=O)c1cn([C@H]2CCCN(C(=O)/C=C/c3ccccc3Cl)C2)nn1 14971610 KKEYMWBWVMTXAS-SCOAYWHSSA-N 401.898 2.947 0 50 HFAA CCN1CCC[C@@H](N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)C1 20539601 UYFOORLWEJBFIG-OAQYLSRUSA-N 416.610 2.648 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1C 23373395 SPYPDQOXFBCYJE-FQEVSTJZSA-N 400.519 2.787 0 50 HFAA COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1Cl 30320494 JIRACZKSKYAPKT-UHFFFAOYSA-N 402.944 2.662 0 50 HFAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2ccc(C)nc2)C3)cc1 67841050 GURYSSGSVKCVSI-UHFFFAOYSA-N 420.469 2.735 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72436903 CTNANABAMLZLKT-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA Cc1nnsc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95505325 LQKOIWOEVDDOEN-UHFFFAOYSA-N 400.504 2.556 0 50 HFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2cnc(NC(C)C)nc2)CC1 95520387 KEHDRSJRPKXKOB-UHFFFAOYSA-N 400.479 2.804 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc(-c2nc[nH]n2)c1 170625597 JDPJAUZUJVIQIY-INIZCTEOSA-N 424.848 2.574 0 50 HFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1 225500169 CULLLXMOUXPCQL-KRWDZBQOSA-N 407.522 2.933 0 50 HFAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 239173697 OLZRPHJNCWOXLH-PLLRWEIOSA-N 406.276 2.855 0 50 HFAA COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3C[C@H]3C)C2=O)cc(OC)c1OC 253411637 MQSBRRYKZXDKEO-GAXBVXIKSA-N 420.487 2.521 0 50 HFAA Cc1cccn2c(=O)c(C(=O)NOCc3ccc(F)cc3Br)cnc12 781878655 FSINPFFQJHXJAU-UHFFFAOYSA-N 406.211 2.766 0 50 HFAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 824801302 IYWXYXAWUQETTD-IBGZPJMESA-N 421.497 2.850 0 50 HFAA C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1323077555 KMWWSAWDWZRNSF-XMHCIUCPSA-N 410.449 2.709 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(Cc3nnc(-c4cccnc4)o3)CC2)O1)c1ccco1 1506403331 XWDAPYOFBDBETJ-KRWDZBQOSA-N 423.473 2.668 0 50 HFAA c1ccc(CN2CCCO[C@@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 1506419262 YENLRWUODQEUNN-QHCPKHFHSA-N 423.557 2.824 0 50 HFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857676327 FPNNBOQDYKXGDQ-QHCPKHFHSA-N 402.454 2.966 0 50 HFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3ccc(OC)c(Cn4cncn4)c3)CC2)O1 1857696507 DMABZGGBQYKSAW-UXHICEINSA-N 400.523 2.620 0 50 HFAA COc1ccc2c(c1)C=C(CN1CCC3(CCC[C@@H]3NS(C)(=O)=O)CC1)CO2 1857710713 LPFVSNWTAHUXJR-FQEVSTJZSA-N 406.548 2.655 0 50 HFAA NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](Oc2cccc(F)c2)c2ccccc2)c1 1875256407 UTWCSYHIJIQZQW-NRFANRHFSA-N 421.428 2.800 0 50 HFAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC 672519 XVXVVLWXNKKGAA-UHFFFAOYSA-N 420.487 2.749 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(O)c(OCC)c1 997901 YTXGWZYBZNQHQJ-CYBMUJFWSA-N 415.309 2.909 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1 1162155 NJULXBRLLWEJIH-UHFFFAOYSA-N 405.495 2.861 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2n1 2779102 BSNSMHRXVZQVQP-GHMZBOCLSA-N 422.411 2.706 0 50 HFAA COc1ccc(/C=C/C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 2900037 HBESTCBHMTZDAB-YRNVUSSQSA-N 400.500 2.959 0 50 HFAA COc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(C)cc1 2900161 KIZGPZSKZWFHQX-UHFFFAOYSA-N 407.513 2.779 0 50 HFAA CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccncc1 9236046 GSHDYQQLXWESNV-UHFFFAOYSA-N 424.530 2.927 0 50 HFAA O=C(C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1)N1CCCC1 11933111 YZGXFKMTVMEGTK-UHFFFAOYSA-N 413.507 2.525 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccnn3C)c2)s1 12053688 YRPWVFZOMPFRDA-INIZCTEOSA-N 410.503 2.880 0 50 HFAA COc1ccc(CCNC(=O)c2cn(Cc3c(F)cccc3F)nn2)c(OC)c1 12429768 DUHRAHHDMBHFBI-UHFFFAOYSA-N 402.401 2.594 0 50 HFAA CCOC(=O)C1(CCOC)CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 12592129 KSAWECZERQQDBZ-UHFFFAOYSA-N 409.479 2.534 0 50 HFAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ocnc3C)C2)c1 14534167 JUYRYLPRFAREGW-IBGZPJMESA-N 415.490 2.517 0 50 HFAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(C1CCSCC1)CC2 14748185 CADYPQOPMUNKGW-UHFFFAOYSA-N 410.628 2.589 0 50 HFAA CCC(CC)CN1CCc2c(C(=O)OC)c(OC[C@@H]3CCCCO3)cc(=O)n2CC1 14879666 QMZZILMWZLIKQN-SFHVURJKSA-N 420.550 2.877 0 50 HFAA O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCN(c2cccc(Cl)c2)CC1 20109722 AMNXHYRFNZHOTP-LJQANCHMSA-N 404.894 2.768 0 50 HFAA COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 20255053 UUNAOZXVFAERRR-IBGZPJMESA-N 418.921 2.997 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1 64800202 HSFNBJKVFBLYSP-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA O=C(CCNC(=O)c1ccncc1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 139697814 NRNKENDHTITBNM-UHFFFAOYSA-N 417.391 2.722 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 225404748 JUXFBGRIZJOUGA-HNAYVOBHSA-N 403.504 2.897 0 50 HFAA COc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c1OC 263618219 RUABRCDRIWSFIH-GOSISDBHSA-N 412.421 2.636 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCc3csc(N)n3)csc2C1 426691308 QDMLASOOLLQDIK-UHFFFAOYSA-N 403.533 2.880 0 50 HFAA COc1ccccc1-c1csc([C@H]2CCCN(Cn3nc4cnccn4c3=O)C2)n1 773346323 WWGFOQOKBVIGDG-HNNXBMFYSA-N 422.514 2.860 0 50 HFAA CN(C)c1ncc(CN2CC[C@@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)n1C 952891652 BGPHGYNTKGKWKJ-GOSISDBHSA-N 421.427 2.637 0 50 HFAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 952970963 GELZRQCOAHDHPK-UHFFFAOYSA-N 417.491 2.911 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NCCc3nc(C)c4c(n3)CCC4)o2)c1C 1506426297 FWSJNKPVDOPUAH-UHFFFAOYSA-N 402.476 2.660 0 50 HFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)Cc1ccc(-n2nnnc2C)cc1 1529145715 FYFNLGIWERWEBU-UHFFFAOYSA-N 417.473 2.869 0 50 HFAA COCc1cc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)[nH]n1 1857672956 BGJODOZTOBPHCP-GFCCVEGCSA-N 403.870 2.884 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2ccc(F)cc2)cn1 1857705557 MGTDZKSRQHPMJS-UNMCSNQZSA-N 400.498 2.556 0 50 HFAA O=C(Cc1cccnc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857710544 CJMMQAZLHKHTLN-QHCPKHFHSA-N 401.470 2.688 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccn2C(F)F)cn1 1857711728 DTFXDNBIMHDWDP-ROUUACIJSA-N 407.465 2.685 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCC4CCN(C)CC4)C3)nc2c1 1857738539 MPGMKVAIHRNAEF-QGZVFWFLSA-N 400.523 2.901 0 50 HFAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)CC4CCN(Cc5ccccc5)CC4)C[C@@H]13)O2 2356168983 RHCNQDQRNPGIFW-FVEXOFTDSA-N 411.590 2.856 0 50 HFAA CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 4821318 OFVMDRJLESVWAM-UHFFFAOYSA-N 412.895 2.607 0 50 HFAA CC[C@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)n1c(=O)[nH]c2ccccc2c1=O 8974959 IFLKKRMUFRIQPK-HXUWFJFHSA-N 420.513 2.607 0 50 HFAA CCN1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1 11937012 LBIYYCNYQVNJRK-UHFFFAOYSA-N 408.546 2.903 0 50 HFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 12138773 RKNVQIXHPCBAEL-QGZVFWFLSA-N 401.463 2.861 0 50 HFAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 14966836 YHNYIPBSXWSCRV-UHFFFAOYSA-N 407.474 2.934 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)CC1 20451846 APVNAFDMDKFNST-QFIPXVFZSA-N 400.567 2.894 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NC3CCN(C)CC3)c2)cc1 67338921 UTZZJEAETFURND-UHFFFAOYSA-N 401.532 2.644 0 50 HFAA O=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 104529527 IRZZJTHBFUXJFL-RIFVQYRRSA-N 414.521 2.853 0 50 HFAA C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)nc2)CC(c2ccccc2Cl)=NO1 225798580 GQWYGNKEHPNCIQ-NRFANRHFSA-N 414.893 2.771 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)c1 229749762 VYZDKHNTTOUGJU-MNEFBYGVSA-N 422.547 2.663 0 50 HFAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 229803287 KWIBAVICXNVZAL-BXWFABGCSA-N 420.554 2.862 0 50 HFAA CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252346809 FBOFDJFMOZCIEN-CTVDGRRTSA-N 407.514 2.655 0 50 HFAA biogenic CS(=O)(=O)c1nccc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)n1 253428957 GCTGCNXQLPPGGT-UHFFFAOYSA-N 411.487 2.976 0 50 HFAA COc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)c1 263616731 KGPBOAFPBPACMN-UHFFFAOYSA-N 418.453 2.611 0 50 HFAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2ccccc12 437221146 SHRPMENVIVYFMT-FQEVSTJZSA-N 407.495 2.957 0 50 HFAA C[C@H]1CN(c2ccnc(C(=O)N[C@H]3COc4c(F)cc(F)cc4C3)c2)C[C@@H](C)O1 1353871467 BPSKDUVFMIVSRY-DVOMOZLQSA-N 403.429 2.707 0 50 HFAA O=C(c1ccn(C(F)F)n1)N1CCCN(Cc2cc(-c3ccncc3)no2)CC1 1772808195 IKFZSRHANFIUIQ-UHFFFAOYSA-N 402.405 2.676 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc(C(C)C)no3)CCSCC2)o1 1776111270 KOGLPTZQWSSEQG-UHFFFAOYSA-N 407.492 2.632 0 50 HFAA CC(C)COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1857678800 RQWRFFYPMRGZMP-SFHVURJKSA-N 400.519 2.638 0 50 HFAA COc1cc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc(OC)c1 2356134339 JPGCWRRYDISRGB-DNVFCKCGSA-N 402.535 2.964 0 50 HFAA CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Oc2ccccc2)cc1 881373 GNMKATCSEPIQMF-IBGZPJMESA-N 404.488 2.540 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 953222 OVDWSQMCKVRUNG-HNNXBMFYSA-N 423.535 2.524 0 50 HFAA Cc1c(Cl)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)nn1C 2777659 HAJJTWOJEJNYNS-MRVPVSSYSA-N 405.911 2.970 0 50 HFAA O=C(O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Br)cc1 5059801 HDUZFMRLCJYKQE-UHFFFAOYSA-N 400.206 2.646 0 50 HFAA Cc1ccc(NC(=O)CSc2nnc(CN3C(=O)COc4ccccc43)n2C)cc1 9295618 ZJOXICQNYXZXIE-UHFFFAOYSA-N 423.498 2.780 0 50 HFAA O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 12075122 FBFKSQLPMRGLAK-MRXNPFEDSA-N 412.515 2.610 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2csc(C)n2)C1 12464588 XJMZJBPIEXKMTF-HNNXBMFYSA-N 403.504 2.508 0 50 HFAA CCNC(=O)[C@@H]1C[C@@H](NC2CCN(CC)CC2)CN1Cc1ccc2ccccc2c1 20918838 JOTAOSPAPYUQIR-RPWUZVMVSA-N 408.590 2.993 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35395525 XPWBBEMNOBHQEX-UHFFFAOYSA-N 413.952 2.655 0 50 HFAA Cc1c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)[nH]c2c(F)cccc12 92107374 YQWCAYAIVJLKIT-APWZRJJASA-N 403.498 2.551 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1 225566692 OAAZPEJPUFQNAN-UYAOXDASSA-N 418.538 2.745 0 50 HFAA O=C1CC[C@H](CCNCc2ccccc2)N1C[C@H](c1cccnc1)N1CCOCC1 299762154 LMLPKRRJXXQXRS-DHIUTWEWSA-N 408.546 2.626 0 50 HFAA C[C@H]1c2nncn2CCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 481751101 QCCHKRUCEBCZHK-LBPRGKRZSA-N 409.450 2.943 0 50 HFAA CNC(=O)c1cccc(S(=O)(=O)N(Cc2cccc(C)c2)C[C@H]2CCCO2)c1 823836591 RHBVKDNWIVUZAI-LJQANCHMSA-N 402.516 2.725 0 50 HFAA Cc1ncccc1CN1CCC2(CC1)CC(=O)N(Cc1nccn1C1CC1)CCO2 1857689139 GWNWODPWMIOKCX-UHFFFAOYSA-N 409.534 2.705 0 50 HFAA Cn1c(=O)c(-c2nccn2CC[C@H]2CCCCN2S(C)(=O)=O)cc2ccccc21 1857692274 WXFBNGMHAQZFRP-QGZVFWFLSA-N 414.531 2.606 0 50 HFAA CN(C)Cc1nc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cs1 1857737169 ZQZQIMFWZCXGNK-SOLBZPMBSA-N 420.966 2.802 0 50 HFAA CCC1(C(=O)N[C@@H]2CN(C(=O)c3cccc4nc(O)[nH]c34)C[C@H]2OC)CCCCC1 1875334116 YTYYMPCUSPLIEL-IAGOWNOFSA-N 414.506 2.585 0 50 HFAA Cc1noc(Cn2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cn2)n1 2325822885 UQGLZFNRPWTXDR-UHFFFAOYSA-N 401.854 2.960 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnccn4)C3)c3cccc(=O)n32)c1 2356143286 BLJOHJAPTKADDU-FGSXEWAUSA-N 416.481 2.690 0 50 HFAA O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1NC1CCCCC1 652264 DUBFMJAOHJIICT-UHFFFAOYSA-N 402.900 2.804 0 50 HFAA COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 2841811 GUEXNQXVHMDDCJ-UHFFFAOYSA-N 406.504 2.888 0 50 HFAA C[C@@H](Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1)C(=O)NC1CCCCC1 4414063 GQINSZXXGHPMAX-MRXNPFEDSA-N 417.531 2.776 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1)[C@@H]1CCOC1 11843320 CMXIOEAJCSGNKC-CYBMUJFWSA-N 413.503 2.878 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12745193 ZGQKLHDBKVNTBR-QFIPXVFZSA-N 401.482 2.906 0 50 HFAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CN2CCCCC2=O)C1 15069267 SHSSTFWNSGJYFD-QHCPKHFHSA-N 416.518 2.640 0 50 HFAA CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CCCC2)C1 17088031 HQYILQMNTJOLHX-LBPRGKRZSA-N 408.520 2.975 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)CC1 20351961 ZZETYFZXZHBUBY-OAQYLSRUSA-N 411.550 2.919 0 50 HFAA Cc1ccc(-c2n[nH]c3c2CN(C(=O)Cc2ccc4c(c2)NC(=O)CO4)CC3)cc1 20601247 SPPSEDFHOOFSMH-UHFFFAOYSA-N 402.454 2.843 0 50 HFAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 64800210 IYZLFPFJXSPBQZ-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA Cc1ncc2c(c1CNC(=O)[C@H]1CCCO1)CCN(C(=O)c1ccc3cc[nH]c3c1)C2 299779285 FAHATIRVSOJPMO-JOCHJYFZSA-N 418.497 2.865 0 50 HFAA O=c1cc(N2CCOCC2)cnn1[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 328607726 WUNKFRTYSIMSBK-INIZCTEOSA-N 406.889 2.710 0 50 HFAA CC[C@@H]1CCc2nc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3C)sc2C1 441942638 QAIGDTWGJDVEOH-GFCCVEGCSA-N 408.549 2.936 0 50 HFAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1 1506414255 NGANZTZODSIIPN-UHFFFAOYSA-N 421.588 2.785 0 50 HFAA COc1cccc([C@H]2CCN(Cc3cc(=O)n4nc(SC)sc4n3)C2)c1OC 1529146836 QVLDZMPSSWWZNG-LBPRGKRZSA-N 418.544 2.880 0 50 HFAA COC(=O)c1ccc2nn(Cc3cc(Br)cc4cccnc34)c(=O)n2c1 1875264768 KBLGBGDPAIRPND-UHFFFAOYSA-N 413.231 2.642 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@H]3CCC[C@@H](C(=O)O)C3)nn2)s1 1875324551 CPSDARGIJGKJCP-ZBFHGGJFSA-N 405.524 2.920 0 50 HFAA Cn1ccc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O 2356135475 GRDIDYLHQCRQHM-DEOSSOPVSA-N 400.482 2.963 0 50 HFAA CN(c1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 839976 ZELAQPDPALHABB-OAQYLSRUSA-N 410.495 2.975 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 916250 VHOIXMHEIAPBLB-INIZCTEOSA-N 402.516 2.825 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 973871 WSVOPNBHZSWPSN-ZDUSSCGKSA-N 417.259 2.847 0 50 HFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12050014 WBSGVBBQCUMCGO-INIZCTEOSA-N 421.473 2.857 0 50 HFAA COc1cc(CNCCC2=CCCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 12198524 CEOWRVAOURUPFN-QFIPXVFZSA-N 418.578 2.872 0 50 HFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCN(C2CCCC2)C(=O)C1 12717214 WZHGCACSJANBSS-UHFFFAOYSA-N 405.401 2.759 0 50 HFAA CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 19938846 GPEZTPKOWWBHEV-IBGZPJMESA-N 404.518 2.904 0 50 HFAA O=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2C12OCCCCO2 20123783 JPANHIDGCUHZHX-UHFFFAOYSA-N 411.477 2.932 0 50 HFAA CN(Cc1ccn[nH]1)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20448678 HEHOUOPIBOWBAE-VMPITWQZSA-N 420.517 2.501 0 50 HFAA O=C1CN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c2ccccc2N1 30755601 QIZGORGQJJEPPR-UHFFFAOYSA-N 413.499 2.601 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc(C(C)C)s2)n1 49550466 JWKYGBZQUXFJPM-UHFFFAOYSA-N 403.439 2.672 0 50 HFAA CN(Cc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 55099221 SBPRPIDHIDHRQM-HXUWFJFHSA-N 403.548 2.878 0 50 HFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 67602084 DEKLACHYLMYLAA-UHFFFAOYSA-N 404.902 2.867 0 50 HFAA O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 72437711 RFYNDMVEHBHEDB-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77391748 LONOGFHDDTUGKD-VAWZGJIGSA-N 413.518 2.755 0 50 HFAA CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 170611628 VDNMTYWJCAHMSM-AEFFLSMTSA-N 402.516 2.602 0 50 HFAA CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C(=O)OC)c1ccc(Br)cc1)CC2 229751733 PPFISGBDSLVTRJ-BRWVUGGUSA-N 412.324 2.915 0 50 HFAA CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252515138 HNXMRFFSBDYNOJ-REXBTKMOSA-N 419.566 2.785 0 50 HFAA CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)NCCCOC[C@@H]2CCOC2)C1 253417391 WVIWNBGXJRJZSR-NPPFBWRTSA-N 410.555 2.973 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257198595 DBNXODGUIPCCQD-BUPNWXMQSA-N 418.545 2.684 0 50 HFAA biogenic CCCC(=O)N1CCC([C@@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 299764543 ALZNUXSYKPZKCG-JOCHJYFZSA-N 415.490 2.655 0 50 HFAA O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@H](CCCc1ccccc1)c1ccccc1 730520466 LQSRMQKIVFVEJO-HXUWFJFHSA-N 401.470 2.952 0 50 HFAA Cc1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)N2)cccc1C(=O)Nc1nccs1 952870274 ZMWDNCWRPFKXSY-KRWDZBQOSA-N 406.467 2.997 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 952968872 GCWGNYXCRXIFCU-KRWDZBQOSA-N 411.527 2.990 0 50 HFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)CCc1c(C)nc2ncnn2c1C 952970376 VEGBIBOSAQGAMC-UHFFFAOYSA-N 405.506 2.950 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(Cn3cccn3)cc2)cc1OC 1529152327 JHRDMKLNDWPVKH-DNQXCXABSA-N 423.513 2.883 0 50 HFAA Cc1cc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)c2ncccc2c1 1704312997 DEKGFHZOUIZDAG-OAQYLSRUSA-N 409.515 2.584 0 50 HFAA Cn1nc(C(F)(F)F)cc1-c1nc(C2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 1857680551 KRIAFRSXORIJLZ-NSHDSACASA-N 403.430 2.715 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)C1 1875371957 RMCIQCZZFMKGPQ-NVXWUHKLSA-N 407.308 2.774 0 50 HFAA CC1(C)OC2(CO)CC1(NC(=O)Nc1cc(Br)cnc1OC(F)F)C2 2325826533 DZINSNKXYKEECQ-UHFFFAOYSA-N 422.226 2.640 0 50 HFAA CCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864724 YCMFGIFXUHPZQC-QZTJIDSGSA-N 419.953 2.882 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cn3cnc4ccccc4c3=O)C2)[C@@H]2CCCCN12 2356137835 BIUCZWMUIJQUGV-UDKICSLYSA-N 408.546 2.898 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 662108 ARRWFVOTWJZOHQ-AWEZNQCLSA-N 420.487 2.665 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(O)cc1Br 5049770 SYGBWEFUNCKANV-CYBMUJFWSA-N 401.282 2.519 0 50 HFAA CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 9268944 FJKQFIUUNACKFL-SFHVURJKSA-N 404.488 2.795 0 50 HFAA Cn1cc(CNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cn1 12092351 JXBWXQYJSLVCBK-UHFFFAOYSA-N 416.529 2.899 0 50 HFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14731476 PIUPYZNTPPHPIM-UHFFFAOYSA-N 418.541 2.910 0 50 HFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](NC2Cc4ccccc4C2)CC3)o1 14743718 LTARHCNCZWZUAC-GOSISDBHSA-N 404.514 2.866 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2 20911435 AXUQMBDDHFNTNU-GFCCVEGCSA-N 419.407 2.838 0 50 HFAA Cc1cccc([C@@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)c1 72117593 RUGPGXPOUJRWGL-NRFANRHFSA-N 415.559 2.719 0 50 HFAA Cc1cncc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3C2)c1 77322796 SQZNIELQIFDDBR-UHFFFAOYSA-N 412.471 2.686 0 50 HFAA CCCc1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)cs1 95504873 UXBGSAXZJSRGPZ-UHFFFAOYSA-N 401.536 2.745 0 50 HFAA COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)c(C(=O)OC)c1C 239386639 PUYKTQZJBQVOMB-OLZOCXBDSA-N 415.533 2.831 0 50 HFAA CC[C@H]1CN(c2cc(C)nc3nc(C(F)(F)F)nn23)[C@H](CC)CN1CC(C)(C)O 241684922 QGLINCGPSOVOPE-UONOGXRCSA-N 414.476 2.902 0 50 HFAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C 248174243 YGYZTFOHAYDOBI-SMOZNVCYSA-N 419.456 2.874 0 50 HFAA O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC(S(=O)(=O)c2ccccc2F)C1 328596598 HABWJRVFVCWMLR-INIZCTEOSA-N 420.462 2.683 0 50 HFAA COc1ccc(C(=O)N2CCC(C(=O)NCCCNc3ccc(C)cn3)CC2)cc1 824648723 XLWHFKBQBITWDC-UHFFFAOYSA-N 410.518 2.869 0 50 HFAA NC1(CCNC(=O)N2CC[C@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)CC1 952894904 UQRKYWRIMGIXOM-SFHVURJKSA-N 409.412 2.833 0 50 HFAA COC[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccc2)Cc2ncccc2C)C1 1506425611 GIWXTRPANKXMRC-HXUWFJFHSA-N 403.548 2.995 0 50 HFAA COc1cc(-c2onc(N3CCC4(CCC(=O)N4C)CC3)c2C(=O)O)ccc1F 1704308784 JUJNFOCFMOTOQR-UHFFFAOYSA-N 403.410 2.779 0 50 HFAA Cc1cc(NC[C@H]2CN(S(C)(=O)=O)CCO2)c2ccc(C(F)(F)F)cc2n1 1704341697 ZPPDUAZKNNZYGM-ZDUSSCGKSA-N 403.426 2.634 0 50 HFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccccc2)CCCN1 1875240502 VNFAWCDXQAFLNL-HXUWFJFHSA-N 407.514 2.719 0 50 HFAA Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)CCO2)o1 1875253139 WIQKCELZNHKYFG-WBVHZDCISA-N 424.544 2.650 0 50 HFAA CC(C)(CNC(=O)CCc1ccccc1C(=O)O)Cn1cc(-c2cncs2)nn1 1875327509 XWGWOPBJACKIDU-UHFFFAOYSA-N 413.503 2.875 0 50 HFAA COc1ccc(CN2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1Cn1cccn1 2356162422 JWDPLMASSRBMAK-HSZRJFAPSA-N 404.518 2.623 0 50 HFAA N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 2040856 DEFAKPKFXYITPZ-FQEVSTJZSA-N 403.486 2.840 0 50 HFAA biogenic,in-vitro COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O 6477803 JWHAPJYGJYEYKT-WOJGMQOQSA-N 407.451 2.608 0 50 HFAA O=C(c1ccc(Cl)cc1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12387631 BPQVTNZDEDTLRZ-UHFFFAOYSA-N 419.953 2.515 0 50 HFAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CSc3ncccn3)C2)o1 12454664 RJADHOPRIDZHFN-INIZCTEOSA-N 402.520 2.805 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2cccc(F)c2)c1=O 14951643 FTZVMBNKXOFMRP-UHFFFAOYSA-N 407.445 2.715 0 50 HFAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C 15003460 RKEPPBWJXMIKES-NRFANRHFSA-N 415.538 2.577 0 50 HFAA OCCOc1cccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 19300056 JTIOJIACOASSOA-QHCPKHFHSA-N 413.537 2.983 0 50 HFAA CN(CCc1cnn(C)c1)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 19334179 XZGFAQISEKNZJD-DEOSSOPVSA-N 422.573 2.966 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3cccc(Cl)c3)C[C@H]2C(=O)NCC)CC1 23362767 QSGOTMRCLCCTDU-FPOVZHCZSA-N 407.002 2.883 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)cc3OC)n2)c(F)c1 61718520 XTFOOSWJOQLTSL-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)ncn1 67614161 DMTDUQDQLZFOSF-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)no1 82137455 UJWYIGXFPWSAPO-HXUWFJFHSA-N 411.550 2.713 0 50 HFAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1ccccc1)c1nccn1C 218498536 RSCFZXWHPJDZQA-CTNGQTDRSA-N 420.513 2.897 0 50 HFAA O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cc(F)ccc1F 263616090 GZBMKPNZRCSCMT-UHFFFAOYSA-N 408.368 2.929 0 50 HFAA CC[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1C)c1nnc2n1CCCCC2 431813478 WMYHEJXXLWINMF-INIZCTEOSA-N 413.526 2.817 0 50 HFAA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 670467116 DFCAIUKMTUVCQL-LJQANCHMSA-N 409.511 2.911 0 50 HFAA CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccsc1C(=O)O 720046166 WNOPZKVXNASTQW-UHFFFAOYSA-N 408.545 2.979 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)Nc2cccc(CN3CCCC3)c2)o1 952977070 JDIHPQXDKNMXNQ-OAQYLSRUSA-N 410.518 2.513 0 50 HFAA COC(=O)[C@@H](NC(=O)c1cccs1)c1nnc(Nc2ccc(OC)cc2)s1 1775976150 KGTYRUYTRFZZKJ-ZDUSSCGKSA-N 404.473 2.996 0 50 HFAA COc1ccc(Cc2nc([C@H]3CC[C@@H](N)[C@H](O)C3)n(-c3ccccc3)n2)cc1OC 1857735722 HZMNDCVVSYEHIW-QXAKKESOSA-N 408.502 2.831 0 50 HFAA CCO/C=C/[C@](O)(CNC(=O)c1nc(Br)n2ccccc12)C(F)(F)F 1875334854 IBTNPFIAYPZDAM-OWNNVSBGSA-N 422.201 2.670 0 50 HFAA CCCCCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CC)n1 2100544939 BUCOZFGFBXESJC-UXHICEINSA-N 402.495 2.977 0 50 HFAA COc1cccc(Cl)c1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819843 RRPLUZNZRCTRHE-UHFFFAOYSA-N 412.870 2.634 0 50 HFAA O=C1CN(c2ccccc2NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CCN1 2325876370 SOKUUTJCGLDTBR-UHFFFAOYSA-N 415.906 2.835 0 50 HFAA COc1ccc(CCCC(=O)N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)cc1 2356153150 UMAHATYKHJVMNA-ZJSXRUAMSA-N 411.498 2.925 0 50 HFAA CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1cccc(OC)c1 1125719 NBUNQZCEDIIGOF-KRWDZBQOSA-N 416.455 2.575 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccn1 1173965 BQTGDBLFGXUQBF-UHFFFAOYSA-N 405.495 2.861 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2n1 2779103 BSNSMHRXVZQVQP-QWRGUYRKSA-N 422.411 2.706 0 50 HFAA COCCCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 2817596 VJBAUPQUFTYZBK-UHFFFAOYSA-N 424.950 2.992 0 50 HFAA O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCCCC1 3299979 MINXRHMQKUOIKA-UHFFFAOYSA-N 402.472 2.885 0 50 HFAA CCN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 4806247 ISKPIMOHNJWBNK-UHFFFAOYSA-N 421.950 2.943 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC(=O)Nc2ccccc21 4999578 MTOYBMWXPRAHGJ-UHFFFAOYSA-N 413.499 2.769 0 50 HFAA CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(c3cccc(OC)c3)C(=O)[C@]23CCCN13 11664581 ZALWKBWZIYDIDC-SDYXESRWSA-N 410.474 2.537 0 50 HFAA Cc1ccc(CN2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)o1 12041632 MIUVPSWAZHZUKH-KRWDZBQOSA-N 409.486 2.685 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CCO)n1CCc1ccccc1 12434397 XVCSKRPJEVHCLF-LJQANCHMSA-N 405.564 2.656 0 50 HFAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1C(=O)CSC1=O 12585177 IEYODURHFIAPSP-MRXNPFEDSA-N 423.966 2.748 0 50 HFAA COc1ccc(CNC2CCOCC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12703411 HRJMHZLCCGOLKM-NRFANRHFSA-N 406.567 2.970 0 50 HFAA CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2CC2)CC1=O 14749583 STQNQJIQFDFWTB-KRWDZBQOSA-N 414.424 2.960 0 50 HFAA COCCN1CCC(CN(Cc2ccc(C(=O)OC)cc2)C[C@@H]2CCCO2)CC1 15064365 RJAAHCSCYHASIF-QFIPXVFZSA-N 404.551 2.813 0 50 HFAA CCc1nn2c(ncc3c(=O)n(-c4nnc(C)[nH]4)ccc32)c1-c1ccc(OC)cc1 20734503 JXSWBYPKOSTSTK-UHFFFAOYSA-N 401.430 2.698 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3ccc(F)c(F)c3)C[C@H]2C(=O)NCC)CC1 23358761 LUSYZJAOMNAGQN-UTKZUKDTSA-N 408.537 2.508 0 50 HFAA Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(Cl)c1 36708105 ABBKHWLSXJBXAQ-UHFFFAOYSA-N 404.902 2.817 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@H](c4ccccc4)C3)n2)c(F)c1 44921369 PILDYLDNTIFGOQ-NRFANRHFSA-N 423.444 2.658 0 50 HFAA CCN1CCC(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 55091092 DHEYFJQRGSMLME-QFIPXVFZSA-N 402.558 2.671 0 50 HFAA Cc1ccn(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)n1 72437334 DFDPGPKFDMLZDQ-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA O=C(NCCC1(O)CCCC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82106519 PHVDRKLJVQOTOC-OAQYLSRUSA-N 414.594 2.569 0 50 HFAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc(Cl)c1 248289326 JBDYTQAKOZTYJP-APHBMKBZSA-N 404.850 2.552 0 50 HFAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1nnc2ccc(OC)nn12 252484617 GARLLEHHPHEWOZ-KRWDZBQOSA-N 420.473 2.749 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252498836 RNEWONJCLMSXPD-HKUYNNGSSA-N 408.502 2.850 0 50 HFAA CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 253429006 MFKJBHDOMSMGDC-AWEZNQCLSA-N 421.924 2.565 0 50 HFAA Cc1ccc(C)n1CCCC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 253623668 FGATXTREAAYTGP-UHFFFAOYSA-N 407.518 2.878 0 50 HFAA COCC[C@H]1COCCN1C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 328594223 ZQCJBHZTQABWSU-GJZGRUSLSA-N 401.429 2.581 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(O)c4)CC3)CC2)cc1 825168526 RAWAHUUEYZQZNT-UHFFFAOYSA-N 407.514 2.902 0 50 HFAA CCn1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)c(=O)c2ccc(C)nc21 1506420742 QKOSULPMHNGJGA-IBGZPJMESA-N 404.514 2.854 0 50 HFAA O=C(CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)Nc1ccccn1 1875262200 UILGYJYPROPDDE-UHFFFAOYSA-N 400.523 2.782 0 50 HFAA O=C(NCc1cccc(F)c1F)c1cn2c(n1)CCN(Cc1cnsc1)CC2 1940196553 RUOCZSNGGWYDPP-UHFFFAOYSA-N 403.458 2.606 0 50 HFAA Cc1sc(O)nc1C(=O)N1CCN(C(=O)C/C=C/c2ccccc2F)[C@H]2C[C@H]21 2325841256 LQTCTKIXDWZBDR-INCBCAAFSA-N 401.463 2.825 0 50 HFAA C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)NC(=O)[C@H]1CC[C@H](C)CC1 2325872912 RMEJIEXOMBTJEP-DXSYMUGCSA-N 417.525 2.792 0 50 HFAA CCC[C@]1(C(=O)O)CCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C[C@H]1O 2356151527 MIWJZIKFBRNJKT-DYVFJYSZSA-N 402.417 2.538 0 50 HFAA CCc1ccc(-c2cc(C(=O)N3CCC[C@]4(CCc5c[nH]c(=N)nc54)C3)n[nH]2)cc1 2356153031 OCPXSUMYPNCBTQ-QHCPKHFHSA-N 402.502 2.962 0 50 HFAA CN(Cc1cc[nH]n1)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1CCSCC1)C[C@H]2O 2356166049 UXWFTMWRKGYZBV-SSGKUCQKSA-N 412.603 2.814 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 647781 TYEPRAWEEJOQLD-UHFFFAOYSA-N 410.879 2.921 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1 2648268 BJFYTJCQTUYLIK-UHFFFAOYSA-N 402.516 2.993 0 50 HFAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 2869364 XGSJJLRRNXQIRF-LLVKDONJSA-N 413.293 2.763 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4877552 YNEVDAHDPGZONZ-UONOGXRCSA-N 409.489 2.773 0 50 HFAA CCn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(=O)c2ccc(C)nc21 6635220 DDAKIIWMQZVTSZ-UHFFFAOYSA-N 401.369 2.799 0 50 HFAA CC(C)CC[C@]1(C2CCN(C(=O)C(C)(C)C)CC2)NC(=O)N(CCN(C)C)C1=O 11788598 HACJNWIODAPKTQ-JOCHJYFZSA-N 408.587 2.560 0 50 HFAA C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCOCC1 12380532 OPKGAKLBEVPFAW-MRXNPFEDSA-N 409.511 2.784 0 50 HFAA COc1cccc(CNC(=O)Cn2cc(NC(=O)CCOc3ccccc3)cn2)c1 12511583 XKWKIGZQRMQGLE-UHFFFAOYSA-N 408.458 2.616 0 50 HFAA O=C(C1CCN(C2CCN(Cc3cccc4nccnc34)CC2)CC1)N1CCCC1 12703513 SBULXJYPTDATCE-UHFFFAOYSA-N 407.562 2.929 0 50 HFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)C(C)C)cc1 13519474 YVABYKAOWRYTBP-IPMKNSEASA-N 401.507 2.708 0 50 HFAA CCOc1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 16578404 LFPVFSFBUHTIGA-CQSZACIVSA-N 420.487 2.650 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860854 MZQRYSLSCORILH-QGZVFWFLSA-N 407.923 2.593 0 50 HFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2ccon2)C[C@@H](C)O1 20450059 YQTWJLKYDRLVCE-OKILXGFUSA-N 417.897 2.857 0 50 HFAA COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 20512247 HYOGEDYQZJXHPP-UHFFFAOYSA-N 401.894 2.883 0 50 HFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 39515657 ISWZRPGUBDCKMX-INIZCTEOSA-N 402.501 2.726 0 50 HFAA NC(=O)[C@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1cccc(Br)c1 222170799 YLVOCRARDJWVJN-JVUKJRRLSA-N 421.335 2.813 0 50 HFAA C[C@@H]1[C@@H](N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)CCC[C@H]1C 248147901 IFIRXTQZNUEPRU-ZFMNYDKASA-N 411.546 2.644 0 50 HFAA CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 253423139 ONHHUXSNVFTMJO-LJQANCHMSA-N 415.534 2.803 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1)c1ccco1 408521028 FWLRECJLERBTPE-UHFFFAOYSA-N 400.460 2.823 0 50 HFAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCCN(Cc2cccs2)CC1 952869234 GPOJSUQFXXTOAD-UHFFFAOYSA-N 406.533 2.936 0 50 HFAA Nc1ccnc(N2C[C@H]3CN(Cc4ccc(Cl)s4)C[C@]3(CCC(=O)O)C2)n1 1772809084 LWFIWTUSFKSMGC-KZULUSFZSA-N 407.927 2.577 0 50 HFAA O=C(NCc1nnc2n1C[C@H](C(=O)O)C2)OCC1c2ccccc2-c2ccccc21 1775954997 GOOICKRNWVSZAD-CYBMUJFWSA-N 404.426 2.574 0 50 HFAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857671576 IWIDKJDVRSUPRK-MCEIDBOGSA-N 409.438 2.577 0 50 HFAA Cc1cc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c2c(C)noc2n1 1857676354 RFZVZUSSKLIXOQ-JOCHJYFZSA-N 406.442 2.729 0 50 HFAA NS(=O)(=O)c1ccc(-n2nc(CC3CCCCC3)nc2CCc2ccon2)cc1 1875347983 DOAQVRXZTXQTRO-UHFFFAOYSA-N 415.519 2.811 0 50 HFAA CCCn1cnc(S(=O)(=O)Nc2cc(C(=O)OC)c(F)cc2Br)c1 2325716566 JFKPPGZVROTQTF-UHFFFAOYSA-N 420.260 2.782 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCc2cn(Cc3ccccc3)nn2)CC1=O 2325742973 FSDFPVAFTAVESX-FXAWDEMLSA-N 404.470 2.979 0 50 HFAA CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c1 2325822060 ASBHEGJUPHBNAZ-IBGZPJMESA-N 418.515 2.741 0 50 HFAA O=C(Cc1ccc(F)cc1Cl)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356157695 RECWNOITNVJHJC-WIYYLYMNSA-N 405.853 2.929 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 2883104 PRNNXPYODRYKQY-KRWDZBQOSA-N 416.499 2.937 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 5042729 LMASSKVXFIWDJA-UHFFFAOYSA-N 401.366 2.696 0 50 HFAA O=C(N[C@H](C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 5043504 UJNYIVVZFKHOOB-LZGZYFLISA-N 400.494 2.999 0 50 HFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 10462407 BQKJMXMTHZSXSM-YLJYHZDGSA-N 407.470 2.587 0 50 HFAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCOc2ccccc2C1 12596407 MNNNSQHBFVCLEF-UHFFFAOYSA-N 407.426 2.743 0 50 HFAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccccc2)C4)cn1 19740687 CUROBYAFKKDVHO-QGZVFWFLSA-N 405.527 2.887 0 50 HFAA Cc1nc(NCCNC(=O)c2ccc(Cl)cc2Cl)cc(N2CCOCC2)n1 65362048 ULGHBMAUXNYQHS-UHFFFAOYSA-N 410.305 2.770 0 50 HFAA Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 67339026 FHJCEXZKDHUMQA-UHFFFAOYSA-N 401.532 2.644 0 50 HFAA COc1ccc(CCC(=O)N2CCC(Cc3nc(-c4cnccn4)no3)CC2)cc1 169759453 BHNXOAZQQKSBAC-UHFFFAOYSA-N 407.474 2.949 0 50 HFAA O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@H]1CCC2(CCCCC2)O1 170611584 DXYDBUZNWISHHY-LJQANCHMSA-N 413.518 2.541 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)cc1 195641333 GJCZJNCMVCRZDX-UHFFFAOYSA-N 411.477 2.595 0 50 HFAA COCCn1c([C@@H](C)NC(=O)[C@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 252492680 MSDTUDTZQOANRB-CVEARBPZSA-N 406.486 2.904 0 50 HFAA COC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1 252517655 OBMSOHARYWIODS-WKWVNEEDSA-N 414.502 2.739 0 50 HFAA COc1ccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)cn1 252523273 CGFOAMKXROLBHH-OAHLLOKOSA-N 402.838 2.787 0 50 HFAA COc1ccc(OC)c(CNC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 328602114 AGAMHJYABWMNFR-HRAATJIYSA-N 400.523 2.915 0 50 HFAA COc1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1N1CCNC1=O 460723547 KMJXCTMGLMQTJU-UHFFFAOYSA-N 417.469 2.609 0 50 HFAA COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21)Cc1cccc2ccccc12 1293297750 UEUNBUXRFXOIGT-UVUJQTEASA-N 422.525 2.983 0 50 HFAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 1506418088 OOXPGSFDKLZWTG-QMMMGPOBSA-N 409.411 2.561 0 50 HFAA C[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC32CCN(CCO)CC2)CCN1C 1857699784 YFPJGGJDXSNBGI-LJQANCHMSA-N 421.589 2.556 0 50 HFAA COc1ccc(-c2nc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)c(C)o2)cc1O 1857711904 PJJNMVSYWRIBDM-CQSZACIVSA-N 400.431 2.856 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3c[nH]c4ccccc34)CC(=O)N2[C@H]1c1ccccc1 1857722228 SBESPBSCDNEZMA-ZJBJCVSYSA-N 417.465 2.755 0 50 HFAA CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(N)c3N)CC[C@H]2C1 1875329970 MQEFOZVOIUMHSK-ARFHVFGLSA-N 424.549 2.758 0 50 HFAA Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(=NCCc2cnc[nH]2)[nH]1 1875377789 NMRIOJHLVFZPJQ-UHFFFAOYSA-N 406.416 2.964 0 50 HFAA O=C(N[C@@H](C(=O)N1CCC(CO[C@@H]2CCNC2)CC1)c1ccccc1)c1ccccc1 2325869688 YEFOHDCEXOVMTE-DHIUTWEWSA-N 421.541 2.775 0 50 HFAA Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N1CCCC1)n2Cc1ccccc1 629099 JXTQTDKWTFPMOD-UHFFFAOYSA-N 415.497 2.594 0 50 HFAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 2865468 JRYSIBYTLZQSLH-MRXNPFEDSA-N 404.488 2.795 0 50 HFAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1 4973536 QCHSRXFFLAZIRO-UHFFFAOYSA-N 405.545 2.521 0 50 HFAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 12078836 KLPMVSAAWUISNW-SFHVURJKSA-N 409.465 2.833 0 50 HFAA CCn1cc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)c(C)n1 12440500 PUDMUVNABBAMEZ-SFHVURJKSA-N 400.523 2.627 0 50 HFAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1OC 14953382 AXOFNVBNMCGIRP-LJQANCHMSA-N 400.523 2.525 0 50 HFAA COCCNC(=O)c1c(CCc2ccccc2)n(Cc2ccncc2)c(C)cc1=O 14997564 OUSBDLVSGFLGHW-UHFFFAOYSA-N 405.498 2.761 0 50 HFAA Cc1cccn2c(CN3CCC[C@H](O)C3)c(C(=O)N(C)CCc3ccccc3)nc12 19113058 IKLFADLXHJFBAE-FQEVSTJZSA-N 406.530 2.914 0 50 HFAA CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19848934 MUQQAMPVUMLYOY-UHFFFAOYSA-N 406.529 2.644 0 50 HFAA CN(C)CCOc1cccc(CNC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)c1 55099370 FZVQXZZWKXPELX-JXALWOEJSA-N 415.553 2.910 0 50 HFAA Cc1nonc1C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 67675650 JMWXKBOOGMDHQK-KRWDZBQOSA-N 423.439 2.824 0 50 HFAA NC(=O)C(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 77537234 OTILLFKIYNOQAK-HXUWFJFHSA-N 413.477 2.625 0 50 HFAA CCOCCCN1CC[C@H](NCC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 221892572 JIEGBNLZBMECOC-ROUUACIJSA-N 418.607 2.682 0 50 HFAA COc1ccc(Br)cc1C=c1sc2nc(-c3cccnc3)nn2c1=O 254611491 XTNFTTSUOJBYGA-UHFFFAOYSA-N 415.272 2.532 0 50 HFAA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)c(=O)c1 328608363 YSQVYKDYMZYMBH-MRXNPFEDSA-N 414.554 2.596 0 50 HFAA O=C(N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 334157988 FWTJGACGHVZIJG-AWEZNQCLSA-N 416.890 2.632 0 50 HFAA Cc1cc2c(N3CCC[C@H]3C(=O)NC[C@@]3(O)CCc4ccccc43)ncnc2s1 752549251 VXEYOADJENUSCP-AVRDEDQJSA-N 408.527 2.919 0 50 HFAA Cc1cc(C)c(CN2CCN(c3cc(C)nc4ncnn34)CC2)c(-n2cccn2)c1 825124568 VCRBPNKQRDWGHK-UHFFFAOYSA-N 402.506 2.557 0 50 HFAA CN(Cc1cccn1S(=O)(=O)c1ccccc1)C[C@@H]1CC(=O)N(C2CCCC2)C1 952973343 CKGNROURBSHOHU-SFHVURJKSA-N 415.559 2.948 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnoc1-c1ccccc1 1529118853 OZPIKJUWAHWABQ-HNNXBMFYSA-N 400.460 2.767 0 50 HFAA CCCc1nnc(N2C[C@H](C(=O)NCCCc3nc(C)c(C)s3)CC2=O)s1 1857739911 YOJHBVHTQVQRSP-CYBMUJFWSA-N 407.565 2.666 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@H]3C[C@H]4CC[C@@]3(C(=O)O)C4)nn2)s1 1875324721 KUGQUQBQMLXMGY-PTSWNOGYSA-N 417.535 2.920 0 50 HFAA CC(C)(C)c1cccc(OCCOC(=O)CCNS(=O)(=O)c2cccnc2)c1 2325729817 FSGZQJAZLSHHFR-UHFFFAOYSA-N 406.504 2.670 0 50 HFAA Cc1cccc(C(C)(C)C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325896369 XCQVPULVKHVKEG-LJQANCHMSA-N 419.481 2.672 0 50 HFAA CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 789570 QMXCXIZRYLQVEY-UHFFFAOYSA-N 401.488 2.684 0 50 HFAA COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 1419218 AKXNIYXCYNMVJZ-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1Cl 4811288 KIJSAOQESVIGLZ-UHFFFAOYSA-N 404.822 2.886 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 11753703 RLAPBYREBLJLDJ-UHFFFAOYSA-N 419.953 2.700 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1 11963764 UBLIBZCGAOXKBX-LHSJRXKWSA-N 404.894 2.574 0 50 HFAA Cc1nonc1CN(C)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 12458952 AWVTXLOXKHJSJW-OAQYLSRUSA-N 410.518 2.882 0 50 HFAA COc1ccc(-n2cc(CN(C)Cc3n[nH]c(=O)[nH]3)c(-c3cccc(F)c3)n2)cc1 12713968 CVBSYJNAMNFSOR-UHFFFAOYSA-N 408.437 2.730 0 50 HFAA COCc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)o1 39516272 WGPRBJGDMCRWHN-GOSISDBHSA-N 404.507 2.512 0 50 HFAA CC(=O)OC[C@H]1CC2=C(C[C@H]1COC(C)=O)C[C@@H](COC(C)=O)[C@@H](COC(C)=O)C2 43198981 UBGPJHUSWLGIBL-COPRSSIGSA-N 424.490 2.588 0 50 HFAA CCN1C[C@H](NC(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CC1=O 67834300 UOYRKUVJWLOSQM-MRXNPFEDSA-N 409.442 2.766 0 50 HFAA O=C(NCCc1nccs1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82093043 MKCZFCDSNKWPPZ-IBGZPJMESA-N 413.591 2.573 0 50 HFAA O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 170637741 IYFUESDFTKCRPN-KRWDZBQOSA-N 417.483 2.652 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1 206255640 RXNIFYGPQDFFBM-OAQYLSRUSA-N 421.497 2.523 0 50 HFAA Cn1cc([C@H](CO)Nc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)cn1 301821417 KBVXLLICXPSENT-HNNXBMFYSA-N 407.503 2.906 0 50 HFAA Cc1cc([C@@H]2CCCN2CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)no1 748538618 CFFKVIWCSHMZHR-IBGZPJMESA-N 414.531 2.948 0 50 HFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)Nc2ccc(OC)c(NC(=O)COC)c2)C1(C)C 952873145 HALHNIYBVLSMKH-QRQCRPRQSA-N 419.522 2.797 0 50 HFAA CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccncc2)s1 1321183226 BTTBMJDAJRJDBU-KRWDZBQOSA-N 407.561 2.608 0 50 HFAA CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCSCc3ccccc3)C[C@@]2(CO)C1 1772702119 PODSAPLNRWOMLL-GCJKJVERSA-N 404.576 2.635 0 50 HFAA COc1ccc(Oc2ccc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)cc2)cc1 1857689038 CIFKJKQMEVKOCU-NZQKXSOJSA-N 410.470 2.591 0 50 HFAA C[C@H](COc1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100540622 NNUOHIYHEKKTCG-GOSISDBHSA-N 424.545 2.766 0 50 HFAA CC(C)(O)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Cl)n2C[C@H]2CCCO2)CCO1 2325840277 WFPPPZLIIBBDLW-PBHICJAKSA-N 424.904 2.893 0 50 HFAA COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 786527 YZXJKMQHAZDWIY-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 2853629 YZKRUTPBGNLTFW-UHFFFAOYSA-N 401.516 2.806 0 50 HFAA COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c(OC)c1OC 5065657 LZHUWJQNSFRXBQ-MRXNPFEDSA-N 414.458 2.874 0 50 HFAA O=S(=O)(Nc1ccc(N2CCOCC2)c2nonc12)c1ccc(Cl)s1 6502384 ULFUKOJXUQYKGQ-UHFFFAOYSA-N 400.869 2.575 0 50 HFAA Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 8636873 ZXDVFYDWHJKOLE-UHFFFAOYSA-N 422.316 2.779 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccccc1 8965071 VSRKWCMUUCOWMS-ITICKHJUSA-N 422.481 2.937 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2=O)c1 11935928 XQQWZQMCIBHGAR-OAQYLSRUSA-N 400.454 2.521 0 50 HFAA Cc1cc(CNC(=O)c2c(CCc3ccccc3)n(CCN(C)C)c(C)cc2=O)on1 15000243 WDLACSFSQFTTHE-UHFFFAOYSA-N 422.529 2.730 0 50 HFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1scnc1C 15074606 DJFGONUDXSVPIN-LJQANCHMSA-N 408.612 2.736 0 50 HFAA CSc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 19851226 ZMQIQMCQWGUHHJ-UHFFFAOYSA-N 419.572 2.873 0 50 HFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19889697 QNPPOHQNSDTRLK-DHIUTWEWSA-N 403.526 2.802 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)c1 65362103 FJILDPMPJMRCIG-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)on1 77469806 MTJMTLQQKNPFES-VAWZGJIGSA-N 407.470 2.545 0 50 HFAA COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)n2cc(Cl)ccc2nc1=O 205953563 QCLQDKOTTFFKNM-ZDUSSCGKSA-N 418.833 2.766 0 50 HFAA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 217796148 ZTZOKDDWFXARTO-ZDUSSCGKSA-N 423.377 2.951 0 50 HFAA biogenic CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)C1 248318250 OELYAWOCRWTUDG-LPHOPBHVSA-N 404.507 2.642 0 50 HFAA CC(=O)NC(C)(C)c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 253425504 FLKVHVVXMJSLAS-LLVKDONJSA-N 407.268 2.724 0 50 HFAA COC(=O)c1cccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1 328593977 FQCJPMZQDPCDDO-UHFFFAOYSA-N 410.249 2.684 0 50 HFAA O=C(O)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(F)c1 479563838 BXIRTSSXTKDDLJ-QGZVFWFLSA-N 406.435 2.706 0 50 HFAA CCOCC(=O)N1CCC(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)CC1 670440473 HJURNYNCXUIPAC-UHFFFAOYSA-N 406.914 2.540 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3cccc(Cl)c3)C[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1772809157 NPKXZRHAQKVSHZ-QRWLVFNGSA-N 402.882 2.502 0 50 HFAA Cc1nc2c(c(=NCCc3cc[nH]n3)[nH]1)CCC21CCN(Cc2c(C)noc2C)CC1 1857681287 HKIWPMOBNRURGA-UHFFFAOYSA-N 421.549 2.669 0 50 HFAA COc1ccc(CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1C(=O)O 1857726627 ACQPXYDJWVOCNV-VIZSFHNOSA-N 408.454 2.668 0 50 HFAA CN(C)c1cccc(-c2nc([C@H]3CC=CCC3)n([C@H]3CCCS(=O)(=O)C3)n2)n1 1875340663 MEHPZYRAMXXBRU-HOTGVXAUSA-N 401.536 2.980 0 50 HFAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)C3Cc4ccccc4C3)OCC(=O)N2C2CC2)cc1 2100483119 SPWUEDUSUYYVPR-RPWUZVMVSA-N 420.509 2.752 0 50 HFAA CCOC(=O)[C@]1(NC(=O)Cc2csc(N3CCCC3=O)n2)CC12CCCCC2 2325827212 ZIQQTKXLZGGAEQ-HXUWFJFHSA-N 405.520 2.585 0 50 HFAA CNC(=O)c1ccc(N2CCC(NC(=O)c3cn(C4CCCCC4)nn3)CC2)cc1 2325898538 JHOKRIBLMSHPBX-UHFFFAOYSA-N 410.522 2.542 0 50 HFAA CC(C)n1nccc1-c1nc(COc2cccc(F)c2)nn1C[C@@H]1COCCO1 2356145624 FYIXGXFWYCQPSY-QGZVFWFLSA-N 401.442 2.856 0 50 HFAA CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 1151011 VDRZAJOKQDFSMG-UHFFFAOYSA-N 405.295 2.621 0 50 HFAA CN(C[C@@H](O)Cn1cc(C=O)c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 2882884 CXUMHFYFARLOQH-MRXNPFEDSA-N 406.891 2.789 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4856221 UMGHODVXRAIRPU-IBGZPJMESA-N 402.516 2.536 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)CC1 11947131 VCGVJYCBJSLVRQ-IBGZPJMESA-N 404.530 2.642 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12585881 VZMZTOILUVFDNQ-QGZVFWFLSA-N 420.556 2.923 0 50 HFAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCN(CC3CC3)CC2)CC1 12750580 KUKRLWHTSDCLIA-UHFFFAOYSA-N 419.953 2.898 0 50 HFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 16381634 VMFOIKAJTDYTMB-UHFFFAOYSA-N 423.922 2.679 0 50 HFAA CCOc1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 16578406 LFPVFSFBUHTIGA-AWEZNQCLSA-N 420.487 2.650 0 50 HFAA Cc1ccc2c(c1)CN(CC(=O)NC[C@@H]1COCCO1)C[C@H](c1ccsc1)O2 39372104 JZXZWMHOAUDOFO-UYAOXDASSA-N 402.516 2.524 0 50 HFAA CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 60859459 XWYKWOXBQAWXGS-UHFFFAOYSA-N 413.971 2.729 0 50 HFAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC(Oc2ncccn2)CC1 65459358 BYDIMUGANROBLU-UHFFFAOYSA-N 401.488 2.800 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67602212 NHZNPSDEBLTDDO-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA O=C(c1cc(O)n[nH]1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72145646 XOINFNRUXFMKEM-MRXNPFEDSA-N 423.439 2.561 0 50 HFAA O=C(NC1CCOCC1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82120787 XKJHIYSDKGEJMM-KRWDZBQOSA-N 412.534 2.804 0 50 HFAA CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@@H]1C 170603460 GKJGQSJURVZRSB-RRQGHBQHSA-N 409.324 2.937 0 50 HFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1O 225616734 DOEFYCBZTRGKQH-GFCCVEGCSA-N 418.471 2.586 0 50 HFAA CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 245253616 JOZUTRHSMRQYDN-JWNTYJGQSA-N 420.550 2.907 0 50 HFAA biogenic Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 248330785 GIOAWWPCSIQNBC-GSRZOBFVSA-N 419.456 2.874 0 50 HFAA Cc1c(C)[n+]([O-])c([C@H](c2ccco2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587025 BEZNPJVOGHXZRJ-GOSISDBHSA-N 424.453 2.964 0 50 HFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615100 AOIWDBUPDBXHBJ-UHFFFAOYSA-N 414.513 2.981 0 50 HFAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(S(N)(=O)=O)ccc1F 798320656 XGOCAARFKZALQF-UHFFFAOYSA-N 400.859 2.668 0 50 HFAA CCN1Cc2nc(OC)c(CNC(=O)c3ccc([C@H]4CCCO4)s3)cc2C1=O 952984989 DJSSUBYVYWMHPI-OAHLLOKOSA-N 401.488 2.909 0 50 HFAA O=C(NCc1nnc2n1CCC2)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695717 VLKDHNHJGZBHKY-LBPRGKRZSA-N 400.870 2.552 0 50 HFAA Cc1nc(C)c(C(=O)N2CCc3ncc(NC(=O)C4CCOCC4)cc3C2)s1 1875251107 MPFIZUCOFMBXAM-UHFFFAOYSA-N 400.504 2.719 0 50 HFAA C(CN1CCC(OC2CCOCC2)CC1)CN1CCC(OC2CCOCC2)CC1 2325714027 MFLWSDBZXIBOCC-UHFFFAOYSA-N 410.599 2.697 0 50 HFAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356137289 IYPLCOGWBNHZOO-IBGZPJMESA-N 411.571 2.686 0 50 HFAA COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c1 755002 XOYGPQIOIWIVCV-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA CCc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 916407 LRFQCXAOZRPFPV-UHFFFAOYSA-N 419.522 2.503 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC 2882198 LZGPDQYXVYFHQU-DEOSSOPVSA-N 418.449 2.895 0 50 HFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1OC 11697491 AYHXNTWBUIAQTM-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccc(F)c3F)cc2)CC1 11814362 ATDQEDWGIWEDEG-UHFFFAOYSA-N 418.440 2.911 0 50 HFAA COc1ccc(/C=C/CN2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)cc1 12130453 QMGGZBUBRRTJKS-XXIDSNJLSA-N 409.534 2.948 0 50 HFAA CC1(CCC(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)CC1 12578958 RYEWQGDWYGIJMI-HXUWFJFHSA-N 405.583 2.565 0 50 HFAA COc1ccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)nc2-c2ccccc2)cc1 13568884 BFKMQPRMGNOJNU-UHFFFAOYSA-N 420.469 2.922 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCN(C)CC3)cc2)cc1 16383995 RFUYHSDMMAIZPQ-UHFFFAOYSA-N 401.532 2.502 0 50 HFAA OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCCc1ccccc1 20211101 FNSPQNKXTCXQLK-QFIPXVFZSA-N 405.546 2.769 0 50 HFAA CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCC2=CCCCC2)cc1 55408861 KEZCRCISUVKQPR-WOJBJXKFSA-N 411.589 2.668 0 50 HFAA CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77452892 MNVJEXCYQVXUJA-NUTQIJSLSA-N 415.493 2.535 0 50 HFAA COc1ccc(C(=O)N[C@H](C)c2nncn2C)cc1OC1CCN(C(C)C)CC1 95512457 FZJHHNLXDANHOO-OAHLLOKOSA-N 401.511 2.566 0 50 HFAA COc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@@H](C)CC4)cc1Cl 169760116 GIXMVLDOUXDHQH-LBPRGKRZSA-N 400.866 2.922 0 50 HFAA COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)O)CC3)c(=O)oc2c1C 217446982 RRPNRAOSIKSLHI-SHTZXODSSA-N 401.459 2.968 0 50 HFAA COc1ccc(-c2cc(COC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)on2)cc1 241588251 PBGYQHGMQZGJIO-MORSLUCNSA-N 410.426 2.733 0 50 HFAA CCC(CC)C(=O)N1CCC(NC(=O)Nc2cc(N3CCNC3=O)ccc2F)CC1 252485334 GRKLMMJVPHFIDI-UHFFFAOYSA-N 419.501 2.904 0 50 HFAA CCN(CC)CC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 426526851 JWCIDICIMWSXBG-QFIPXVFZSA-N 405.514 2.517 0 50 HFAA Cc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 438899628 ZHCHIPUCINEETO-UHFFFAOYSA-N 421.284 2.520 0 50 HFAA Cc1sc2nc(CCNC(=O)CN3CCOc4ccccc4C3)nc(O)c2c1C 670473393 UNCFHXITCAVMFZ-UHFFFAOYSA-N 412.515 2.567 0 50 HFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2)n1 952977700 UPLVVJCGHVWKQJ-MRXNPFEDSA-N 409.490 2.774 0 50 HFAA NS(=O)(=O)c1ccc2nc(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)[nH]c2c1 1857530823 FOHIMJKXGZQTEQ-MRXNPFEDSA-N 410.858 2.581 0 50 HFAA CCOCC(=O)N1CCC(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)CC1 1857716329 HIQPSHLAFSWHSS-RTWAWAEBSA-N 402.535 2.886 0 50 HFAA Cc1cc(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c2ccc(F)cc2n1 1857719045 BMDGLMPMMKRBRH-NQRVTCLYSA-N 406.457 2.891 0 50 HFAA CNC(=O)c1cccc(NC(=O)[C@H]2CCN(C(=O)COc3ccccc3Cl)C2)c1 1875390338 XAULIGWLICGKMS-HNNXBMFYSA-N 415.877 2.566 0 50 HFAA C[C@](CO)(CN=c1cc(NC[C@](C)(CO)c2ccccc2)nc[nH]1)c1ccccc1 2325725125 ZCFWGUMQGJTBNL-DNQXCXABSA-N 406.530 2.623 0 50 HFAA Cc1nc(-c2ccccn2)cc(=NCc2ccc(N3CCCS3(=O)=O)c(F)c2)[nH]1 2325740879 DEJIOYCKDDCIMD-UHFFFAOYSA-N 413.478 2.560 0 50 HFAA CC(C)(C)NC(=O)CN1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 2356142927 NWLIFJJGGZHXON-UHFFFAOYSA-N 420.897 2.730 0 50 HFAA C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 944944 PCMCSAAKCUQBFA-WDEREUQCSA-N 411.483 2.595 0 50 HFAA Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 1139251 UNADITSCCJNZOV-UHFFFAOYSA-N 403.504 2.538 0 50 HFAA CCOc1cc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1O 12125769 RGXQLLRNBCWXQM-GOSISDBHSA-N 413.522 2.846 0 50 HFAA O=C(c1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1)N1CCOCC1 12456290 ZUCXHYRRLXYJRG-UHFFFAOYSA-N 405.542 2.885 0 50 HFAA O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(Cc2c(F)cccc2F)nn1 14961422 BQNYAZPNQKWHIT-UHFFFAOYSA-N 411.456 2.999 0 50 HFAA O=C(N[C@@H](O)C(Br)(Br)Br)c1ccc(F)cc1 71769993 DXAQCJFEDIJXPW-QMMMGPOBSA-N 419.870 2.712 0 50 HFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc([C@@H](C)N(C)C)cc2)c1 72159031 AVJLQNBGIQGPHG-CQSZACIVSA-N 406.504 2.599 0 50 HFAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)cs1 77456356 CMUOYSUMOMSCNJ-OOSNJVJTSA-N 413.474 2.536 0 50 HFAA CCN1C(=O)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[C@H]1Cc1ccccc1 225558755 BXTJTNYILQSUFI-LJQANCHMSA-N 404.470 2.884 0 50 HFAA C[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N(C)c1ccccc1 229712227 IZNPLFBGXSGJPK-YSGRDPCXSA-N 415.534 2.610 0 50 HFAA COC(=O)Nc1cc(NC(=O)C(=O)NCCCCN2CCC[C@H](C)C2)ccc1F 727609404 BAQWXNNQODKIGC-AWEZNQCLSA-N 408.474 2.571 0 50 HFAA Cc1nc(-c2ccc(S(=O)(=O)N(CCN(C)C)C[C@H]3CCCO3)s2)cs1 952979518 NJHRBHGSVZNYNK-CQSZACIVSA-N 415.606 2.911 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC(N4CCSCC4)CC3)o2)c1C 1506396437 SXMFBPNULVYTNV-UHFFFAOYSA-N 411.549 2.753 0 50 HFAA Cc1cccc(-n2cc(CN3CCC4(CCC[C@H]4NS(C)(=O)=O)CC3)cn2)c1 1857681417 DJVYCDOQVDZUOP-HXUWFJFHSA-N 402.564 2.865 0 50 HFAA NC(=O)C1CCN(C(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)CC1 1857695492 LUZMBPPKCHRHOZ-CYBMUJFWSA-N 404.898 2.812 0 50 HFAA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)nc2ccccn12 1857706417 QLIVDIFWUXDSQG-IXFSTUDKSA-N 402.454 2.557 0 50 HFAA CSc1nccc(N2C[C@@H]3[C@H](CNC(=O)Cc4ccsc4)[C@H]4CC[C@]3(C2)O4)n1 1857723402 FAQJVKOGXZSZQW-QCBUCWTNSA-N 416.572 2.603 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)cc1 1857800091 LTFLURCVTYVRFQ-UHFFFAOYSA-N 420.468 2.859 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)(c2ccccc2)CC1 1875369441 ODOFEJKHRLEGJR-FQEVSTJZSA-N 410.436 2.649 0 50 HFAA CC[C@H]1CN(C/C=C/CN2C[C@@H](CC)O[C@]3(CCCOC3)C2)C[C@@]2(CCCOC2)O1 2325742637 CEXGUVBNEWQHSY-XWMZZGEYSA-N 422.610 2.863 0 50 HFAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21 2325823907 IGKNGFFANZEPQI-OCBCSQNSSA-N 402.859 2.791 0 50 HFAA CCOC(=O)c1c(NC(=O)c2ccc3c(Br)cnn3c2)cnn1CC 2325840887 WILZPBUUANBQTC-UHFFFAOYSA-N 406.240 2.742 0 50 HFAA Cc1ccc2c(C(=O)N3CCC[C@]34CCCN(Cc3ccccn3)C4=O)cnn2c1 2356138530 LUNZERBQTHHOJJ-QHCPKHFHSA-N 403.486 2.835 0 50 HFAA O=C(NN1CCOCC1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 2780677 CKQULXNHRSYHTI-UHFFFAOYSA-N 409.343 2.531 0 50 HFAA O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCN(C2CCCCC2)C(=O)C1 12453221 RICPRQKNUAWXHB-UHFFFAOYSA-N 418.881 2.919 0 50 HFAA O=C(c1cccnc1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2cccnc2)C1 14531598 LJBTWLUZSJWLQL-OAQYLSRUSA-N 408.502 2.679 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1c(F)cccc1F)C2 14540070 RJDSCXPGUYIMDY-ZDUSSCGKSA-N 406.502 2.534 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCOCC1 16651927 UPUBVMZONNCCEQ-UHFFFAOYSA-N 406.529 2.990 0 50 HFAA C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CCCCC2)C1 17088032 BIXMOXXOGZBLHH-GFCCVEGCSA-N 408.520 2.975 0 50 HFAA COc1cc(NC(=O)c2sccc2S(N)(=O)=O)ccc1NC(=O)C(C)(C)C 55368777 PTCCSHFBEWZOPZ-UHFFFAOYSA-N 411.505 2.641 0 50 HFAA CN1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1=O 77288107 FPNQPMVLACGBEH-UHFFFAOYSA-N 410.518 2.632 0 50 HFAA NC(=O)N1CC[C@H](NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 170626684 UCWGYDGVCTVJFR-AWEZNQCLSA-N 416.275 2.563 0 50 HFAA CCOc1cc2c(c3[nH]c(C(=O)N(CC)[C@H]4CCS(=O)(=O)C4)cc13)O[C@@H](C)C2 225534231 SVRCBUKYLNRBSY-JSGCOSHPSA-N 406.504 2.539 0 50 HFAA O=C(c1cnc(O)cc1O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426500040 CZZSVIHHNRBKQJ-JOCHJYFZSA-N 401.507 2.918 0 50 HFAA Cc1ccccc1Cc1nnn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 435142554 WUGYBKGTVJMTPD-LJQANCHMSA-N 419.485 2.707 0 50 HFAA CCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl 952975136 HGUUPVVGLAHMOB-UHFFFAOYSA-N 415.877 2.814 0 50 HFAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc2c(=O)n(C)cnc2c1 952975374 YVFIQOVPENPZDU-UHFFFAOYSA-N 403.442 2.954 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC2(CCC(=O)N2C)CC1 1506406282 GLSCJEQIYIGYPR-UHFFFAOYSA-N 400.928 2.823 0 50 HFAA Cc1cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)cc(S(N)(=O)=O)c1C 1506425726 QYUPXRSIJCQWHV-SFHVURJKSA-N 408.545 2.598 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@@H](CC(C)C)NC(=O)c2cccs2)[nH]1 1704315405 CCQIEKWDTODNSS-QGZVFWFLSA-N 405.568 2.515 0 50 HFAA Cc1cn2cccc(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)c2n1 1857740750 XZFSAVJSEAEUFM-PWHSHALESA-N 402.454 2.557 0 50 HFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(Cc2cscn2)CCCN1 1875242367 OWOOAPQEULSQGU-SFHVURJKSA-N 400.548 2.535 0 50 HFAA C[C@H](CNC(=O)c1cccc(-n2cccc2)c1)N(C)C(=O)Cc1cnc(C2CC2)[nH]1 2325872448 YFOOOPOWWSQAJH-MRXNPFEDSA-N 405.502 2.897 0 50 HFAA O=C(CCC[C@@H]1NC[C@@H]2CNC[C@H]1C2)N1CCC2(CC1)OCCc1ccsc12 2356158178 DYIWVQVZZFKOON-UHOSZYNNSA-N 403.592 2.506 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1 631309 QIDZCNNPVUBOFK-XOQYZJNISA-N 410.520 2.860 0 50 HFAA COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 647744 IXXGKFZPVXAXSK-UHFFFAOYSA-N 412.305 2.856 0 50 HFAA Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 652462 DNEAWNBJRROYQR-UHFFFAOYSA-N 422.572 2.683 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccoc3)c(=O)n2[C@@H]1c1ccc(F)cc1 2759211 ZNTGWIUEGJFKIF-CFINBHSISA-N 412.442 2.530 0 50 HFAA O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 12593333 CWBAXQANHUROBZ-CQSZACIVSA-N 410.436 2.916 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O 14731269 PKWLLIHPAIDNCC-LEWJYISDSA-N 405.498 2.551 0 50 HFAA Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)n2C)sc1C(=O)N(C)C 17090730 BDIBJNWAXMIWDI-UHFFFAOYSA-N 416.532 2.680 0 50 HFAA O=C1NCCN1c1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc1 20207225 RJDOYZNLSAFNHC-DEOSSOPVSA-N 422.573 2.718 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(-n2cccn2)n1 65365208 ZDJUIESDTLLQLJ-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)N[C@H](C)C2CC2)c1=O 77343895 GIUOGWBLYLPYTQ-MRXNPFEDSA-N 406.486 2.548 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)CC1 104418106 ONLQRBXUXXDLGJ-XMMPIXPASA-N 411.594 2.614 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@@H](c3noc(-c4cc5c(=O)[nH]c(C)cn5n4)n3)C2)c1 169768895 PNMMYZKTJQYANU-MRXNPFEDSA-N 418.457 2.709 0 50 HFAA COc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1OC 169779771 GAMSZQSPFWZTLD-UHFFFAOYSA-N 408.458 2.598 0 50 HFAA COC(=O)c1nc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)sc1C 170622091 ZHKAJSQAFSDJCV-UHFFFAOYSA-N 400.460 2.856 0 50 HFAA Cc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 253430456 ZPPJAAMIFVMJJR-AEFFLSMTSA-N 410.470 2.912 0 50 HFAA Cc1ncc2c(c1CNC(=O)[C@@H]1CCCO1)CCN(C(=O)c1ccc3cc[nH]c3c1)C2 299779302 FAHATIRVSOJPMO-QFIPXVFZSA-N 418.497 2.865 0 50 HFAA Cc1ccc(CNC(=O)CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1F 495386479 WEBHFAMUVQUXLP-UHFFFAOYSA-N 401.457 2.738 0 50 HFAA CC[C@@H](c1ccccc1)c1nn2c(C3CCN(S(C)(=O)=O)CC3)nnc2s1 951726856 MPCZVLSAHIKBCT-HNNXBMFYSA-N 405.549 2.867 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc(F)cc2Cl)cc1OC 1529095680 SNTYURGAEFXZSG-TZIWHRDSSA-N 423.868 3.000 0 50 HFAA CCn1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c(C)n1 1857673829 ZOIABHGHZWFJEQ-QHCPKHFHSA-N 418.501 2.889 0 50 HFAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCCc3ccccc3)C2)cc(C)n1 1857692356 ASEPLRQZCCXLGI-DHLKQENFSA-N 420.557 2.784 0 50 HFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc2nc(O)sc2c1 1857699665 XZPSDOCTOOIKBY-BKGUAONASA-N 410.517 2.887 0 50 HFAA CC(C)C(=O)NCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857717797 YLUOQNBOQSPTSX-LEWJYISDSA-N 410.470 2.829 0 50 HFAA CCc1c(NC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C 2325851616 DWUFOOFMLGIXKH-MRXNPFEDSA-N 408.433 2.942 0 50 HFAA CC[C@@H]1c2ccccc2CN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896207 SVVLDXYXHQLBCT-WOJBJXKFSA-N 417.465 2.555 0 50 HFAA Cc1nc(C)n(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 2356154205 MOXMREHWNLBMLH-HSZRJFAPSA-N 402.502 2.859 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 877182 YWUGAHGPCDMNQL-LJQANCHMSA-N 402.516 2.794 0 50 HFAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 1076543 IZTMGRLWYFVGAE-BXKDBHETSA-N 422.890 2.519 0 50 HFAA CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(C)cc(=O)[nH]3)sc2c1 2969353 KVQDJJUTRJWRCO-UHFFFAOYSA-N 404.473 2.596 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1Br 2971606 ZVCRRYWCJMBBSY-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4552699 AFRRCXZKHXCBMJ-UZLBHIALSA-N 418.515 2.929 0 50 HFAA COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 9063749 AEWRAVSASQZLNC-UHFFFAOYSA-N 402.516 2.842 0 50 HFAA Cc1cccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697265 DBGGTBOZUWCSEZ-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1)[C@@H]1COc2ccccc2O1 12132488 OURPCUKCIMBORV-YWZLYKJASA-N 407.401 2.542 0 50 HFAA COCCN1C(=O)C[C@](CC(=O)N[C@H](C)c2cccs2)(c2ccccc2C)C1=O 12281122 LMHBOCUVQYGNEP-OPAMFIHVSA-N 414.527 2.967 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 12822254 QSGWRFJTQMCAMP-UHFFFAOYSA-N 422.572 2.646 0 50 HFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCC1(O)CCCCC1)CC2 14541814 DGCDVHSMLVXWPJ-LJQANCHMSA-N 410.562 2.775 0 50 HFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1ccsc1)CC2 14541987 UDSOLFTWTBACIL-UHFFFAOYSA-N 410.499 2.692 0 50 HFAA CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 65365298 WYOBKFOSRBVJLO-UHFFFAOYSA-N 415.559 2.721 0 50 HFAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[C@@H](N(C)C)C1 71751364 ULCXUJYUEHPWNY-GOSISDBHSA-N 411.575 2.846 0 50 HFAA CCN(CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1 169768949 ZYPDJHKCTJPVDX-UHFFFAOYSA-N 416.485 2.731 0 50 HFAA O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 170621656 WBBMUUOWMOLDGE-GOEBONIOSA-N 402.296 2.627 0 50 HFAA Cc1cccc(NC(=O)CN(C)Cc2noc(CNC(=O)OC(C)(C)C)n2)c1C 225719710 KBKFXEJFAWVSCT-UHFFFAOYSA-N 403.483 2.782 0 50 HFAA Cc1ccccc1CC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 301124553 NOMXIHWMYFXXME-UHFFFAOYSA-N 412.497 2.991 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-c2cnco2)cc1 1116135892 OBUZHHYKGCMYGI-INIZCTEOSA-N 400.460 2.767 0 50 HFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2cc(Cl)cc3c2OCC3)C1 1320118825 QWQMNTAHRZFKRR-AWEZNQCLSA-N 402.882 2.905 0 50 HFAA COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)CCCC2)cc1OC 1704280212 UZXNHZMEGUXLRB-VQIMIIECSA-N 414.502 2.874 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cccc(F)c2)C1 1857685310 HOJXOAORHRSBBH-JCTONOIOSA-N 417.569 2.697 0 50 HFAA CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(N)c3N)CC[C@@H]2C1 1875329971 MQEFOZVOIUMHSK-BZUAXINKSA-N 424.549 2.758 0 50 HFAA CN(C)c1cccc(-c2nc([C@H]3CC=CCC3)n([C@@H]3CCCS(=O)(=O)C3)n2)n1 1875340665 MEHPZYRAMXXBRU-JKSUJKDBSA-N 401.536 2.980 0 50 HFAA CC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 1112918 CCFDTGCPGOSYHV-UHFFFAOYSA-N 411.940 2.591 0 50 HFAA COCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 2960825 CDPQRHSTOKGWSZ-UHFFFAOYSA-N 417.314 2.951 0 50 HFAA COc1ncc(CN2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)cn1 12612015 GLUPJJYCXYUVPQ-OAQYLSRUSA-N 402.445 2.778 0 50 HFAA COc1ccccc1OCc1cc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)no1 12712412 YIGPYMFKHPYVCA-INIZCTEOSA-N 423.473 2.699 0 50 HFAA O=C(NC1CC1)c1cn(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nn1 14956234 XROZGSMODCKVLY-UHFFFAOYSA-N 409.412 2.906 0 50 HFAA C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)CN1C(=O)c1ccc2c(c1)OCO2 16246730 HANYOQWDACJADG-OKILXGFUSA-N 410.426 2.519 0 50 HFAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1 19841203 FQVOOPHRDVMCKS-UHFFFAOYSA-N 401.417 2.730 0 50 HFAA CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cn1 20044973 RXTOXFZZHMCLRO-UHFFFAOYSA-N 403.335 2.716 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)CN1Cc1cc(C)c(OC)cc1C 64084266 NSVZAGPEAGCPCM-PXNSSMCTSA-N 414.477 2.997 0 50 HFAA Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1 64799832 IDDHHFONDRVGGT-UHFFFAOYSA-N 423.561 2.882 0 50 HFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 72437325 JUPJJRGTGFZIOQ-UHFFFAOYSA-N 414.598 2.546 0 50 HFAA C[C@]1(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccnc4)ccc3C2)CCCCO1 77437428 KFWTYRZISRHJMY-OAQYLSRUSA-N 415.515 2.726 0 50 HFAA CC(C)(CSc1nnc(SCC(N)=O)s1)CS(=O)(=O)c1ccccc1 170598599 HOSXDMMYMMKDIJ-UHFFFAOYSA-N 417.603 2.708 0 50 HFAA C[C@H]1CC[S@@](=O)CCN1c1ncnc2ccc(I)cc12 241961310 URHZEGMIWWXVMM-WVDJIFEKSA-N 401.273 2.582 0 50 HFAA COCCN([C@@H]1CCO[C@H]1C)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 685598361 SMIUITLVHQAXID-KBXCAEBGSA-N 417.487 2.704 0 50 HFAA O=C(Cc1cc(Br)ccc1F)NS(=O)(=O)Cc1cccc(F)c1 784545163 FGRUYEQJFVMPMC-UHFFFAOYSA-N 404.232 2.916 0 50 HFAA Cc1noc(C)c1C(=O)N1CCC(CNC(=O)[C@H](C)n2ccnc2C(C)C)CC1 1506425304 OPEJDMPXXRDMAE-HNNXBMFYSA-N 401.511 2.841 0 50 HFAA CC(C)c1nccc(CN2C[C@@H]3CN(C(=O)CCc4ccsc4)C[C@@]3(CO)C2)n1 1772818807 LKELJQSEJZWMQA-XMSQKQJNSA-N 414.575 2.547 0 50 HFAA C[C@@H](COc1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100540623 NNUOHIYHEKKTCG-SFHVURJKSA-N 424.545 2.766 0 50 HFAA COc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c(OCCN)c1 2356160070 BQWYEAVDNMQIKS-UHFFFAOYSA-N 402.516 2.798 0 50 HFAA O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccc(Br)cc1 4756122 JQXNVABHTRXBEB-FOWTUZBSSA-N 405.248 2.672 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2ccc3nonc3c2)CCC1=O 11841253 LGUGIBVYYJAKHL-QGZVFWFLSA-N 408.458 2.629 0 50 HFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3csnn3)C2)cc(OC)c1 12050707 OWXLWOZGWQDAOZ-CYBMUJFWSA-N 404.492 2.826 0 50 HFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N(C)Cc1cc(C)no1)CC2 14534602 FCVUIGJFDPZNAB-SFHVURJKSA-N 407.518 2.771 0 50 HFAA CC1=C(CCN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)C(C)(C)CCC1 14887377 XZEDXRMBPDPVKG-GOSISDBHSA-N 403.571 2.944 0 50 HFAA C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 15000665 MFPIQJXIAZAVBZ-AWEZNQCLSA-N 409.442 2.820 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cnsn1 15073171 OVJXWDOQPQOKQF-MRXNPFEDSA-N 400.548 2.506 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H]2c2nonc2C)n1Cc1ccccc1 20406457 VCIGTSHCQYAPTM-GOSISDBHSA-N 415.519 2.754 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c(C)c1 67630248 NBZAHLNHIFGALB-UHFFFAOYSA-N 423.565 2.508 0 50 HFAA COc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1Cl 169760117 GIXMVLDOUXDHQH-GFCCVEGCSA-N 400.866 2.922 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239425888 VKYHQOHLAXSXHV-CMOJMIBCSA-N 422.481 2.634 0 50 HFAA CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 408521170 KOCYURSAPFFTPC-UHFFFAOYSA-N 410.499 2.823 0 50 HFAA COc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1C(=O)N(C)C 952987211 JDPCWVNKRFYKFJ-UHFFFAOYSA-N 408.458 2.526 0 50 HFAA O[C@H]1CN(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1Cc1ccncc1 1529095743 VUNMZBQBUOKZCI-APWZRJJASA-N 406.452 3.000 0 50 HFAA COc1cc2c(cc1-c1nccn1CC[C@@H]1CCCCN1S(C)(=O)=O)OCCO2 1857685100 CDBASNFNJAFHDP-HNNXBMFYSA-N 421.519 2.534 0 50 HFAA O=C(CN1CCOC1=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857707071 YDXOUBGBYXXSHC-FQEVSTJZSA-N 415.534 2.537 0 50 HFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)C(C)(C)N4CCCC4)[C@H]4CC[C@]3(C2)O4)o1 1857726037 ULHVIWZPYNFVBF-DZCCDHAISA-N 401.551 2.558 0 50 HFAA O=C(NCC1(CO)CCOCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737826 FILWELOEXTYUNU-CQSZACIVSA-N 407.898 2.603 0 50 HFAA O=C(O)c1cncc(-n2cc(CC3(NC(=O)c4cncc(F)c4)CCCCC3)nn2)c1 1875325129 RKNFQQQGLJBONE-UHFFFAOYSA-N 424.436 2.570 0 50 HFAA COCCN1CCC[C@@]2(CCCN2Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1=O 2356154403 URUNUTGNUDCYKY-OAQYLSRUSA-N 403.910 2.785 0 50 HFAA O=C([C@@H]1CCCCn2nnnc21)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356161371 RYXXDBRLQVTTOG-QGZVFWFLSA-N 406.490 2.513 0 50 HFAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 778745 VVZGPNCGPKONFW-UHFFFAOYSA-N 419.484 2.970 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1051901 JDUDJXLUSDQOKC-CQSZACIVSA-N 420.462 2.636 0 50 HFAA Cc1cnn(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c1 2794145 QDSHFZMAGVTIJO-UHFFFAOYSA-N 419.334 2.569 0 50 HFAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 4594598 FKHNYYDECPNPOS-KRWDZBQOSA-N 423.487 2.685 0 50 HFAA COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cnsn1 12036751 ITOHZAIVFXSSJE-HNNXBMFYSA-N 404.536 2.978 0 50 HFAA COc1ccc(CNCCn2ccnc2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12307339 UMDPHUFVAFYYRA-NRFANRHFSA-N 416.566 2.687 0 50 HFAA CCCCn1c(CN2CCC[C@H](CNC(C)=O)C2)cnc1S(=O)(=O)CC1CCC1 12433994 NUWIBZROTAWVCY-LJQANCHMSA-N 424.611 2.605 0 50 HFAA CCc1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)[nH]1 19781869 GCIHNWYLRCFDIW-FQEVSTJZSA-N 400.567 2.975 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 19837609 HEBVWJNJTGYFGP-INIZCTEOSA-N 415.515 2.803 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CNCc3ccc(C)s3)c2)CC1 22851336 UWPAJAQAMJEPGR-HXUWFJFHSA-N 403.592 2.724 0 50 HFAA O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32104480 ARSUXDSWCQUUJX-GFCCVEGCSA-N 401.268 2.742 0 50 HFAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 49546024 KQIMDEBBBHCCQO-UHFFFAOYSA-N 414.918 2.974 0 50 HFAA Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 225748217 UBZWMQUOTQZPBN-UXOAXIEHSA-N 400.456 2.639 0 50 HFAA C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)C[C@@H](C)O1 229774451 DDROTNVLVLEVTB-ZACQAIPSSA-N 402.539 2.918 0 50 HFAA Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239159649 MOAFUDQMFNAOIK-MCKLEBTQSA-N 415.287 2.749 0 50 HFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 783938649 IJMQZJHZNMNOIM-BHYGNILZSA-N 402.495 2.943 0 50 HFAA Cn1cc(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)nc1=O 1475821469 RWTFTQQITQXMLA-UHFFFAOYSA-N 410.274 2.845 0 50 HFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2)n1 1857798830 CHYRHCFTLGMAIB-INIZCTEOSA-N 412.471 2.809 0 50 HFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)ccc2N1 1875262160 ZDGDCELHKHJEAP-REWPJTCUSA-N 412.461 2.644 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)cn12 2356142090 DADZOLDUQDSDHY-JOCHJYFZSA-N 401.474 2.578 0 50 HFAA COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791675 SYNORVZKTPOYCB-SFHVURJKSA-N 402.516 2.721 0 50 HFAA CCCCn1nnc(NC(=O)c2cc(I)ccc2Cl)n1 2865905 DJCOJDRRCQNUPZ-UHFFFAOYSA-N 405.627 2.984 0 50 HFAA COc1ccc(CCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 2983032 SIMBRBVHXZYYPP-UHFFFAOYSA-N 410.923 2.782 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)COc2ncnc3ccccc23)C1 11760962 IMEUAJPSCPVJQB-INIZCTEOSA-N 419.437 2.859 0 50 HFAA Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2CCCc2ccccc2)cc1 12099832 FAFKUZMELCSPCM-YADHBBJMSA-N 404.518 2.546 0 50 HFAA CC(=O)NCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12386416 DKKGYJXVZKJHHC-LJQANCHMSA-N 407.514 2.848 0 50 HFAA O[C@@H](COc1ccc(CNCCCn2cccn2)cc1)CN1CCc2ccccc2C1 12587127 QMBZHKJBOPABQY-XMMPIXPASA-N 420.557 2.861 0 50 HFAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 12597540 RKUBJLJPEOFHBM-MRXNPFEDSA-N 401.536 2.561 0 50 HFAA OC1CCN(C[C@@H](O)COc2cccc(CNCCc3ccccc3Cl)c2)CC1 12755827 SYPRRHHHWFRMET-OAQYLSRUSA-N 418.965 2.869 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)CC1 20600382 XWCZFAZQUIEQNG-UNMCSNQZSA-N 404.574 2.757 0 50 HFAA CCOC(=O)CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 39356659 SQQGDMAGUAAHHM-UHFFFAOYSA-N 414.531 2.705 0 50 HFAA O=C(O)COCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 44124308 PJXMZYYAPKARJF-NRFANRHFSA-N 402.878 2.675 0 50 HFAA CCCc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ccn1 71415743 OPRXKKKBYPWETD-FQEVSTJZSA-N 412.578 2.973 0 50 HFAA COc1coc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cc1=O 77540084 JHHKSNVDYILDOP-UHFFFAOYSA-N 414.458 2.514 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 82098702 LTFQCNBMMXUEAM-HSZRJFAPSA-N 413.606 2.636 0 50 HFAA COc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)c1OC 169779761 AZDHFDUWDGDBLW-UHFFFAOYSA-N 422.485 2.906 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NC3CCCCCC3)C2=O)cc1OC 206232150 JPMOKVDDEUNDCL-QGZVFWFLSA-N 417.506 2.743 0 50 HFAA CCc1nn(C)c(OC)c1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 225707582 COKUZXKQVMMRCY-UHFFFAOYSA-N 409.368 2.990 0 50 HFAA O=[S@@](Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 730942574 DVRQXNIEQWWHLQ-LJAQVGFWSA-N 422.413 2.733 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CN1CCC(CNC(=O)c2cnccn2)CC1 828215325 OWHUJLUOECYPCN-UHFFFAOYSA-N 404.518 2.921 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnoc1-c1ccccc1 1529118855 OZPIKJUWAHWABQ-OAHLLOKOSA-N 400.460 2.767 0 50 HFAA CN(C)c1ccc(C(=O)N2CCCN(Cc3ccnn3-c3ccccc3)CC2)cn1 1529181854 QNUNFTSAHJTRLD-UHFFFAOYSA-N 404.518 2.681 0 50 HFAA Cc1ccc(C(=O)N2CCC(Nc3cc(C(=O)N4CCOCC4)ccn3)CC2)cc1 1529190997 RDVGXYJYZWFDMK-UHFFFAOYSA-N 408.502 2.579 0 50 HFAA CCCCn1nc(-c2cccnc2O)nc1[C@@H]1CCCN(C(=O)COCC)CC1 1772816865 AKYFWUKZIUXMDJ-MRXNPFEDSA-N 401.511 2.978 0 50 HFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C1)CC2 1857727993 IWBQULOFAUMUMX-QHCPKHFHSA-N 406.486 2.738 0 50 HFAA CC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCCc2ncc[nH]2)C1 1875244644 XNSLDIRXCUMQCP-HSZRJFAPSA-N 410.566 2.790 0 50 HFAA COC(=O)/C=C/CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccsc1 1875318702 MDRSPCIBJOZBSX-KGINPRFTSA-N 404.532 2.686 0 50 HFAA O=C1CC[C@H](N2Cc3cc(NC(=O)Nc4cccc(C5CC5)c4)ccc3C2=O)C(=O)N1 2325901766 WZHIVZSBMCHJNE-IBGZPJMESA-N 418.453 2.969 0 50 HFAA O=C(c1ccnc(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356157033 BENWWOXITSPERV-ANULTFPQSA-N 405.498 2.872 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCCC1 814609 KYFKMZXIPLVWIO-UHFFFAOYSA-N 400.928 2.952 0 50 HFAA CCn1cc(NS(=O)(=O)c2cc(C)ccc2C)c(C(=O)NCc2ccco2)n1 2794570 SDOHKMNVZKTYSX-UHFFFAOYSA-N 402.476 2.844 0 50 HFAA COC(=O)c1ccccc1NC(=O)CSc1nc(=O)c(-c2ccccc2)c(O)[nH]1 2836610 POQANOBOCQGPBG-UHFFFAOYSA-N 411.439 2.660 0 50 HFAA CCOC(=O)COc1ccc(Cl)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 5064465 RGMZCSVVEAJCJU-INIZCTEOSA-N 412.895 2.638 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)CC2)c1C 6709480 WLAYJYJPEWJHTB-UHFFFAOYSA-N 401.532 2.662 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC(Oc2ccccc2F)CC1 11873300 VEQXZHZNYNDRNJ-UHFFFAOYSA-N 401.486 2.587 0 50 HFAA CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 12296677 VXOCUXNCQSYCGZ-UHFFFAOYSA-N 405.458 2.833 0 50 HFAA biogenic COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 14239857 OYMPFRLOFDRDQR-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA CCN(CC)C(=O)c1cn(C2CCN(Cc3cccc(OC)c3OC)CC2)nn1 15001387 IOFBNOVNXHZFAD-UHFFFAOYSA-N 401.511 2.614 0 50 HFAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C 17091448 AIHAYYBYFKSJAV-UHFFFAOYSA-N 418.500 2.695 0 50 HFAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccco1)CC2 19745873 VAAUUPNQQYPVJV-CYBMUJFWSA-N 401.417 2.699 0 50 HFAA Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 20786122 YIMIOBFTYNVDFQ-IBGZPJMESA-N 419.529 2.901 0 50 HFAA CCN1CCN(CC(=O)N(CC)C[C@H]2CCCN(CCc3cccc(F)c3)C2)CC1 23374618 DRVRPSRYLCFQJZ-QFIPXVFZSA-N 418.601 2.566 0 50 HFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608501 LVTNWEPELQUBOB-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA CN(CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 240551686 GVKAQKMACBWMJH-RXVVDRJESA-N 416.543 2.805 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 245242306 ZPXAYNDLMJTIIK-RTXPOLOASA-N 405.429 2.565 0 50 HFAA Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)nc2nc(O)nc(O)c12 468015616 GDNBIQHTJBITOY-UHFFFAOYSA-N 413.821 2.542 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1ncnn1CC(F)F 488314386 YLMPVFCTXQMLOT-GOSISDBHSA-N 416.476 2.978 0 50 HFAA CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 496446463 BTFXKRFEJDQDSS-RFWXGWTQSA-N 411.546 2.892 0 50 HFAA O=C([C@@H]1CCc2nncn2C1)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952894571 RTNKAGJBOQXZTB-QGZVFWFLSA-N 406.465 2.843 0 50 HFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 1529158511 FOTGYIGCBGFXHX-QGZVFWFLSA-N 419.485 2.786 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cccc(OC)c2C)cc1OC 1529168462 FHSDUHJUGNYONL-NHCUHLMSSA-N 401.459 2.595 0 50 HFAA COc1ccc(-c2ccc(C(=O)O)c(N3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)n2)cc1 1704309320 QYRUXFJGAHLCOA-FOIQADDNSA-N 409.442 2.792 0 50 HFAA CC(=O)N[C@@]1(C)CC2(CCN(Cc3ccccc3C(F)(F)F)CC2)OC[C@@H]1O 1772701934 NSTBTEFTCNMUBI-ROUUACIJSA-N 400.441 2.716 0 50 HFAA COc1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(CCC(=O)O)C2)c(C)c1 1772711606 ZUENWRLLJCOPII-WMZHIEFXSA-N 402.535 2.781 0 50 HFAA Cc1ccc(-c2ccc(C(=O)O)c(N3CCC4(CC3)CC(=O)NCCO4)n2)s1 1857692937 ANHGPGAMEQNWLM-UHFFFAOYSA-N 401.488 2.692 0 50 HFAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC4(CC3)C[C@H](O)C[C@H](C(C)(C)C)O4)c12 1857701553 NRCNTAVOHKVWLH-GDBMZVCRSA-N 416.522 2.900 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CCN(C)C(C)(C)C4)C3)nc2c1 1857707891 OLACFUXIMIDDTK-MRXNPFEDSA-N 400.523 2.996 0 50 HFAA Cc1ccsc1C(=O)N1CCC2(CC1)CN(Cc1nccs1)C(=O)CCO2 1857715607 ZNSGQRHGFLBYIR-UHFFFAOYSA-N 405.545 2.937 0 50 HFAA CCCn1nc(CC(N)=O)nc1C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857738647 REOGQDYTZOMNEA-UHFFFAOYSA-N 402.886 2.895 0 50 HFAA Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1cc2sccc2n1CC(F)(F)F 1875361077 PFBVMQZPZJXFIN-UHFFFAOYSA-N 420.438 2.734 0 50 HFAA CCCN(CCC)C(=O)c1cn(CC)c2cc(N3CCNCC3)c(F)cc2c1=O 2325726741 JXOYXBPKOMQLBL-UHFFFAOYSA-N 402.514 2.832 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)CC1)OCC2 2356157726 OHBZGVMKUOZVEH-UHFFFAOYSA-N 422.481 2.755 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CC1=Cc3ccccc3OC1)C[C@H]2O 2356164983 ODDLYYCNWCSIJY-WJNCPCKPSA-N 404.510 2.675 0 50 HFAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)[C@H]1C(=O)c3ccccc3C1=N2 826616 RZTIDMCOFQOKKN-HZPDHXFCSA-N 405.841 2.816 0 50 HFAA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c(OC)c1 1209008 HKGDSQFJTWZECT-OAHLLOKOSA-N 410.426 2.731 0 50 HFAA CC[C@H](Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1nnc(C)s1 2801801 MRLXKTOMYQBASL-ZDUSSCGKSA-N 416.532 2.792 0 50 HFAA Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)s1 11817456 FDQKASOZQLSRQR-QGZVFWFLSA-N 406.596 2.945 0 50 HFAA COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CCN(CC1CC1)CC2 11981259 CCSIXSYBDNHNAZ-UHFFFAOYSA-N 402.516 2.586 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCOCC1 16626837 OJQQYSYHMJVIEK-UHFFFAOYSA-N 410.492 2.821 0 50 HFAA CC[C@H](O)CNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 20455042 RQYCPCUKSQOWCE-QHCPKHFHSA-N 401.595 2.683 0 50 HFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 21795719 YQXGAGPSDKCCAE-UHFFFAOYSA-N 423.565 2.508 0 50 HFAA CC1(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)COC1 225384775 UWRUHLVZDAPRLA-UHFFFAOYSA-N 421.346 2.547 0 50 HFAA COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[nH]n2)cc1OC 225414832 LKPHQANQHCIRMC-ZBFHGGJFSA-N 420.469 2.515 0 50 HFAA biogenic Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc4nnc(C(F)F)n4n3)CC2)cc1 301702144 UBPKPYOFHMYIMT-UHFFFAOYSA-N 422.461 2.636 0 50 HFAA Cc1cc(C(F)F)n(CC(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)n1 1454195749 VWGKQXIJCYMBIG-UHFFFAOYSA-N 415.448 2.726 0 50 HFAA Fc1cnc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1N1CCOCC1 1704299423 PKBIYJQDBRMUDP-OXQOHEQNSA-N 409.465 2.670 0 50 HFAA Cc1nc(C)c(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)o1 1857672183 AXEZFEQCPWGXMV-QFIPXVFZSA-N 405.458 2.969 0 50 HFAA CC[C@@]1(C(=O)NCCc2nccn2C)C[C@@H]2CC[C@H]1N2C(=O)c1sccc1C 1857700597 FHSHQKWDJAJMIS-GCKMJXCFSA-N 400.548 2.922 0 50 HFAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CC(c2ccncc2)=NO1 1875262407 HVJJNTHEJMBIJB-RDTXWAMCSA-N 402.401 2.571 0 50 HFAA COC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 1146505 VEWFQWYDBCUCBZ-WDZFZDKYSA-N 416.249 2.676 0 50 HFAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cccc4ncccc34)CC2)O1 11814880 KWWZROUXCNYCRA-IBGZPJMESA-N 419.529 2.912 0 50 HFAA C[C@H](CNC(=O)CCC(=O)N(C)C)Oc1cccc(CN(C)Cc2ccoc2)c1 11909561 XSKORGPUOJFUPZ-QGZVFWFLSA-N 401.507 2.664 0 50 HFAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnc(C)cn2)CCO3)C1 11975105 ZEAGDDXQARNTBW-IBGZPJMESA-N 410.518 2.678 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCSC)C3)C2=O)c1OC 12194165 KWWVCPIDELOSHR-NRFANRHFSA-N 406.548 2.798 0 50 HFAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]3C2)cc1F 14543627 MKBNZNUWEOFNHX-VQTJNVASSA-N 415.896 2.541 0 50 HFAA O=C(c1cn[nH]c1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14956585 OGMFHCYJFARLIG-QHCPKHFHSA-N 408.546 2.910 0 50 HFAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCOCC1 15079357 YSNKEEKWTLWCHX-NRFANRHFSA-N 412.530 2.546 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 19741068 NHKRLBWZHJZZIL-IBGZPJMESA-N 419.529 2.901 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3c(F)cccc3F)C[C@H]2C(=O)NC(C)C)CC1 20916420 XSOLEZQVCHYUEV-JTSKRJEESA-N 422.564 2.896 0 50 HFAA CN(Cc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 55099219 SBPRPIDHIDHRQM-FQEVSTJZSA-N 403.548 2.878 0 50 HFAA CNC(=O)CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 71748748 WXWAGIUVTVTYCI-UHFFFAOYSA-N 405.930 2.572 0 50 HFAA Cc1cc(N2CCN(C(=O)CC3CCC4(CC3)OCCO4)CC2)nc(C(C)C)n1 170606344 BXZDGQXDSPCBEB-UHFFFAOYSA-N 402.539 2.880 0 50 HFAA COc1cccc2c1OC[C@@H](NC(=O)N(C)[C@H]1CCCN(c3ccccc3)C1=O)C2 170628822 REVHOYUUCQINCX-HKUYNNGSSA-N 409.486 2.836 0 50 HFAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCC1=CCCCC1 206237033 GWOFSVWYNJAPCE-QGZVFWFLSA-N 413.474 2.623 0 50 HFAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C[C@H]3C(=O)NC(=O)[C@H]3C[C@H]12 239309365 HLIJZHCIQBBRDH-NOYKYOFASA-N 415.100 2.562 0 50 HFAA COC(OC)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 390832712 LTEURUKAUGVCGJ-QMTHXVAHSA-N 423.362 2.969 0 50 HFAA O=C(COC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccc(Br)cc1F 750621650 SJOKIVLBOPDGEG-UHFFFAOYSA-N 419.210 2.964 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)s1 820621502 VRALIMGIKAVKBP-CQSZACIVSA-N 411.549 2.945 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCC(c2noc3cc(F)ccc23)CC1 888105496 FIFLAYJGGGUJLY-FQEVSTJZSA-N 406.421 2.949 0 50 HFAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 952862379 PCOLESHFONAALR-UHFFFAOYSA-N 416.547 2.907 0 50 HFAA Cc1cccc(N(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)S(C)(=O)=O)c1 952971871 LOSKVEYNRDVTOW-HXUWFJFHSA-N 418.515 2.958 0 50 HFAA Cc1cc(C)c(CN2CCN(C)CC2)cc1CNC[C@@H]1CCCN(C(=O)C2CC2)C1 952982643 ZTPZISGFDSUYPB-NRFANRHFSA-N 412.622 2.789 0 50 HFAA CN(C)S(=O)(=O)CCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704300308 XNTJGNJMBPKHMJ-QFIPXVFZSA-N 414.575 2.705 0 50 HFAA O=C1CCCCN1CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301279 SSXBVVAMUYNBLI-DEOSSOPVSA-N 404.514 2.963 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857707928 ACNPLNNCSLHBGG-KRWDZBQOSA-N 421.526 2.844 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 1875383195 KKRPLRPOVPSDQA-SMQSCJQKSA-N 402.450 2.925 0 50 HFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356163263 VNJNKFDLGRBSRT-UHFFFAOYSA-N 411.469 2.804 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 857877 MBXYUJFNBQNBBM-UHFFFAOYSA-N 410.879 2.921 0 50 HFAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(Br)c1 2966622 KZRXQOCBPFTGBI-UHFFFAOYSA-N 411.321 2.574 0 50 HFAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1O 5102294 JYIVTKMQVHTHCT-LBPRGKRZSA-N 401.282 2.519 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697720 STLDSYUBWGEAKP-UHFFFAOYSA-N 424.530 2.689 0 50 HFAA O=CN1CCCN(C(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)CC1 12058163 KMYKQCDBYYNCRZ-UHFFFAOYSA-N 418.497 2.951 0 50 HFAA O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 12075126 FBFKSQLPMRGLAK-INIZCTEOSA-N 412.515 2.610 0 50 HFAA CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1 12217925 PGWFPMPBCYEJFM-UXHICEINSA-N 412.538 2.726 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1CCOCC1 12757271 STHUBCTYYWVXCV-UHFFFAOYSA-N 404.551 2.809 0 50 HFAA CC(=O)N1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)CC1 14746777 RRRJBIWIAUCGBS-OAQYLSRUSA-N 419.541 2.522 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3oc(C)cc3C)C2)cc1 14959669 YOTIPEUUGSHYEJ-INIZCTEOSA-N 406.504 2.736 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 19533654 VLFCJAFIEOTCCQ-UHFFFAOYSA-N 418.515 2.629 0 50 HFAA COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)c1 34118519 GYBRWYGHTJXDSF-WBVHZDCISA-N 423.439 2.940 0 50 HFAA CNCCN(C)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 170591366 FXPKGUPZLNYFAW-UHFFFAOYSA-N 404.308 2.922 0 50 HFAA C[C@H](NC(=O)C1CCC1)C(=O)NCc1ccc(I)c(Cl)c1 225722622 JZSPCBYYBOCZRZ-VIFPVBQESA-N 420.678 2.866 0 50 HFAA COCCn1cc([C@H]2[C@H](CNC(=O)c3cccs3)CC(=O)N2C(C)(C)C)cn1 328602151 AMYVUTYSRYVNMR-KBXCAEBGSA-N 404.536 2.709 0 50 HFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(-c2ccno2)s1 952966618 XMCJCFRTTISYIU-ZDUSSCGKSA-N 409.533 2.815 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2cccc(Cl)c2)cc1OC 1529125137 MEWPWMKIXLAXJW-TZIWHRDSSA-N 405.878 2.861 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 1704313253 IZOTXSCVSGOFCA-OAQYLSRUSA-N 401.530 2.975 0 50 HFAA CN1CCN(Cc2ccccc2CS(=O)(=O)c2ccccc2)CC12CCOCC2 1775980913 LCLHIRZBCBRVPQ-UHFFFAOYSA-N 414.571 2.957 0 50 HFAA Cn1nccc1CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3cn2)C1 1857693983 VXXSOEPDLVEZSR-RTBURBONSA-N 405.502 2.758 0 50 HFAA O=C(Cc1ccc(O)cc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696858 OKYSBFKWTPHYPE-DEOSSOPVSA-N 416.481 2.999 0 50 HFAA C[C@@H]([C@@H](C)NC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)n1cncn1 1875257473 OECKKPIPVFDOGS-KGLIPLIRSA-N 411.487 2.975 0 50 HFAA Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2C[C@@H](C)c3ccccc32)c1 2325712326 ZHOCQZAFYWFADT-APWZRJJASA-N 414.527 2.678 0 50 HFAA O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccc2nc(O)n(C3CC3)c2c1 2325826993 RIVFXIZBEATFPP-UHFFFAOYSA-N 404.430 2.580 0 50 HFAA CC(C)(OCC(F)(F)F)C(=O)N[C@H]1CCCN(C(=O)C2([C@H]3CCCCO3)CC2)C1 2325829518 LNRJXBWPRKDEPR-LSDHHAIUSA-N 420.472 2.800 0 50 HFAA CCC[C@H](O)CCn1cnc2c(N3Cc4ncccc4N4CCC[C@H]4C3)ncnc21 2325872324 RSGWBFJZNRTSLY-IRXDYDNUSA-N 407.522 2.761 0 50 HFAA c1ccc(OCCCN2CCOCC2)c(CN2CCC[C@]3(CCc4c[nH]nc43)C2)c1 2356144824 NOBBQUFZYDICFV-DEOSSOPVSA-N 410.562 2.991 0 50 HFAA Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c(C)c1 916392 DDBRZIVGBYSWHF-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA COC(=O)CNC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1 1052061 PYKSAVBOKMZVGO-UHFFFAOYSA-N 406.364 2.935 0 50 HFAA COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCC(=O)O)cc1 2979957 YWAYESOOCVZRHQ-ATVHPVEESA-N 402.834 2.710 0 50 HFAA CCCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)n(C)n1 11813253 SKNXMVFEPYBLAL-GOSISDBHSA-N 404.555 2.689 0 50 HFAA COC(=O)[C@@H](CCSC)NC(=O)c1cc(COc2cccc3cccnc23)on1 12453703 CVARDCISQLCUAX-OAHLLOKOSA-N 415.471 2.826 0 50 HFAA CSc1ccc(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)cc1 12703439 IRDHAZXORPWCEY-UHFFFAOYSA-N 402.568 2.724 0 50 HFAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CN2CCCC2=O)C1 12715904 VZIWWYPKHJKMPG-HSZRJFAPSA-N 400.519 2.804 0 50 HFAA COC(=O)c1c(NC(C)=O)c2cc(NCc3ccc4c(c3)OCCO4)cnc2n1C 14538636 QJLXDWPZGSYAHO-UHFFFAOYSA-N 410.430 2.702 0 50 HFAA O=C([C@@H]1CCOC1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14742319 XWJVGERRBZSGBK-TZIWHRDSSA-N 400.519 2.612 0 50 HFAA COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 19899193 UQKNLCSSIHMKNT-UHFFFAOYSA-N 405.506 2.524 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CNCCc3ccccc3F)c2)CC1 23375314 KEFYBFXZWINWRX-QFIPXVFZSA-N 415.553 2.535 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)cc1 44917581 FYVMDPWMQFOCGN-OAQYLSRUSA-N 405.454 2.519 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 65362263 WLKKIZPRKKVHBS-UHFFFAOYSA-N 419.445 2.698 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 67620826 PKDIDTONEZDCJX-UHFFFAOYSA-N 409.534 2.675 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 67649768 JAAKDEFPUKZOLF-MFJULSPGSA-N 416.525 2.731 0 50 HFAA COC(=O)C[C@@]1(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CCOC1 170596759 XWXGSMCQQDRPPI-DEOSSOPVSA-N 424.497 2.530 0 50 HFAA COc1ccc(CC(=O)OCCN2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC 170609408 PVOOAAHZSOOXCU-UHFFFAOYSA-N 422.522 2.732 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C(C)C)C(C)(C)O)Cc2ccco2)cc1 170611474 MGGOPLVQOOENLF-FQEVSTJZSA-N 422.547 2.691 0 50 HFAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2[C@H]2CC(=O)N(C)C2=O)cc1OC 248023908 IXWLIDCBWBLTFK-FDDCHVKYSA-N 419.481 2.890 0 50 HFAA biogenic Cc1nn(C)c(Cl)c1CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 328591291 NGNDCWKVUZTVFY-UHFFFAOYSA-N 407.927 2.819 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCC3CCN(C)CC3)csc2C1 426475378 GRMVBPYAQUTTDO-UHFFFAOYSA-N 402.564 2.983 0 50 HFAA Cc1nnc(CN(C)C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)o1 426724043 UNSSHUPGALMWLV-UHFFFAOYSA-N 401.492 2.875 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)cnn1-c1ccccn1 1772707685 TXAHTSJOSDJTEM-GBXCKJPGSA-N 401.514 2.870 0 50 HFAA CCOC(=O)C1(NC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)CCCC1 1857717263 OSRBJDIOGHMXFG-HNNXBMFYSA-N 400.479 2.821 0 50 HFAA CC(=O)N1CCN(C(=O)c2ccc(-c3cnc4cc(F)ccc4c3)cc2)C[C@H](O)C1 2356138162 GOSMMLSYRMWCIG-OAQYLSRUSA-N 407.445 2.706 0 50 HFAA O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccn1 4842831 CDSNXWLTFLGBPY-QHCPKHFHSA-N 402.406 2.818 0 50 HFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 11872809 PGEHFXFNVBFVTB-VQTJNVASSA-N 424.497 2.784 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)N3CCC[C@H](C(C)=O)C3)CCC(=O)N2)c(F)c1 11973958 RBCOPJIZSDLEIA-HTAPYJJXSA-N 404.482 2.633 0 50 HFAA COc1ccccc1-n1cc(C(=O)NCCN2Cc3ccccc3O[C@@H](C)C2)cn1 11981903 WEVMJNIHKZQFSX-KRWDZBQOSA-N 406.486 2.894 0 50 HFAA CN1CCC(N(C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)CC1 12005273 VUTLKKAXHOLIRO-MRXNPFEDSA-N 407.942 2.976 0 50 HFAA CN(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12201885 JQLBARXTKRYLBP-JOCHJYFZSA-N 402.498 2.584 0 50 HFAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1)c1cccnc1 12209534 QZCDUSPNBWHFID-ZDUSSCGKSA-N 411.886 2.705 0 50 HFAA CC(C)C[C@H](N[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1)C(N)=O 14542488 DPIWISFPHNFPKI-MJGOQNOKSA-N 417.598 2.512 0 50 HFAA CCC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1OC 16577148 DUALXFFDRYMBFR-UHFFFAOYSA-N 403.504 2.555 0 50 HFAA O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 16606420 BXUQAGHATQSXBV-UHFFFAOYSA-N 421.331 2.884 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2c2nonc2C)n1Cc1ccccc1 20406458 VCIGTSHCQYAPTM-SFHVURJKSA-N 415.519 2.754 0 50 HFAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 23144596 HYMNWBKNOMXIQS-UHFFFAOYSA-N 401.833 2.809 0 50 HFAA O=C(c1cccc(F)c1F)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95504565 MASKRDKCHXPVRP-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1CCCC[C@H]1O 101358657 IOJHDRPICYLNGH-AZUAARDMSA-N 402.516 2.686 0 50 HFAA N#C[C@@H](C(=O)c1cccnc1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 138435763 YVPPDUGTFWSTOY-INIZCTEOSA-N 408.849 2.642 0 50 HFAA CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc2cccc(C)c2n1C 434350324 RIKPQCMTUVNCNI-LJQANCHMSA-N 424.570 2.979 0 50 HFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccc(-n3cnnn3)cc2)cc1 952873073 FUDFIPSWVQLNRW-QFIPXVFZSA-N 420.517 2.857 0 50 HFAA COc1ccccc1-c1ccc(N2CCC[C@@H](CNC(=O)c3cnccn3)C2)nn1 1506395953 PTFBPOWEGRJKRJ-INIZCTEOSA-N 404.474 2.589 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCCN3CCC[C@H]3C2)ccc1F 1704306564 OVSWYGJSQVCCBQ-HNNXBMFYSA-N 402.470 2.866 0 50 HFAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)C[C@@H]1O 1704324916 AMDYNQGFMPUVQJ-HOCLYGCPSA-N 410.319 2.928 0 50 HFAA O=C1CN(Cc2ccccc2OCC(=O)N2CCCCC2)C[C@H](Cc2ccccc2)N1 1772708428 BHEACYIABWLQRE-QFIPXVFZSA-N 421.541 2.621 0 50 HFAA COc1ccc(C(=O)NCc2cccnc2N)cc1Oc1cccc(OC)c1CN 1857696355 XAVWTTFBFGXFGK-UHFFFAOYSA-N 408.458 2.862 0 50 HFAA NC(=O)c1ccc(NCC(=O)OCC(=O)NC2c3ccccc3-c3ccccc32)cc1 1875263265 COZPGDRFWPPOGD-UHFFFAOYSA-N 415.449 2.627 0 50 HFAA C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 1875264542 LDBVQEQSAGPNPM-OCBCSQNSSA-N 424.892 2.936 0 50 HFAA O=C(Nc1cccc(COC[C@@H]2CCCO2)c1)c1ccnc(NCCn2cnnc2)c1 1875361211 UEPPPEAJUCPOGH-FQEVSTJZSA-N 422.489 2.733 0 50 HFAA COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1OC 812508 WKTPQNSJBRLGTQ-GOSISDBHSA-N 417.487 2.773 0 50 HFAA Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CSc2ncccn2)C3)n1 11976390 CGDOXHAZYKBNGP-MRXNPFEDSA-N 407.499 2.762 0 50 HFAA Cc1ncoc1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12204433 HTYMVTCRWREKSB-MRXNPFEDSA-N 412.467 2.787 0 50 HFAA O=C1NCCN(CCc2ccccc2)[C@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 12431928 SAJDYZMZULXQQG-DEOSSOPVSA-N 419.569 2.901 0 50 HFAA CCCC(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 14881368 IWJUDERLUUWXLL-JOCHJYFZSA-N 417.506 2.553 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(OC)cc2)CC3)CC1 14951274 ZMTZEJOCEUPSFX-FQEVSTJZSA-N 415.534 2.598 0 50 HFAA CN(CCc1ccccc1)Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1 14980828 LKIZGDXVPAGZEU-UHFFFAOYSA-N 405.502 2.707 0 50 HFAA COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)CN1CCOCC1 16648867 MLSUPGYVFUNJAS-UHFFFAOYSA-N 417.893 2.801 0 50 HFAA CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 19840049 WDSONIXXHPRNFN-QUCCMNQESA-N 414.575 2.964 0 50 HFAA O=C(NCCc1cnccn1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67772280 ROAOTPXVVVAOLE-UHFFFAOYSA-N 405.502 2.892 0 50 HFAA C[C@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1cccc2ccccc12 72115745 NIQCLNYEGLDLHT-KRWDZBQOSA-N 417.575 2.653 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 82157499 YYBQCZUXUCJNHC-HXUWFJFHSA-N 412.578 2.981 0 50 HFAA CC(C)OCCNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91288812 AVQOZGREYHGUHQ-JOCHJYFZSA-N 413.606 2.871 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)COc4cccc(C)c4)nnc23)n1 169780673 XWCQSSGWTFAHAR-UHFFFAOYSA-N 406.446 2.735 0 50 HFAA COc1cc(OC)cc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)c1 170615181 CYLBKAVHUSJPFL-SFHVURJKSA-N 406.232 2.879 0 50 HFAA C[C@H](CC[S@](C)=O)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 225258546 OHXJTPSNDORKBB-VILLYWCTSA-N 405.347 2.871 0 50 HFAA Cc1cc(Br)ccc1NCC(=O)NCCc1nnc2n1CCCCC2 242292532 YMZQEKRAADTCMQ-UHFFFAOYSA-N 406.328 2.846 0 50 HFAA CCN(C[C@H]1CCCO1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 252517492 KASRLQUQCCCIPS-RTBURBONSA-N 410.536 2.618 0 50 HFAA CCOc1cccc(C=c2sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)c1 254556406 OVHQISHLWBJUFG-QGZVFWFLSA-N 407.451 2.610 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@@H](CN(C)C)C3)csc2C1 426684554 SSFNJOAWAXCPHN-INIZCTEOSA-N 402.564 2.935 0 50 HFAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 483843880 YDWSXHZGSGCXCI-OAQYLSRUSA-N 420.513 2.888 0 50 HFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 798319037 VPTIZUHHHYVAMN-CQSZACIVSA-N 401.463 2.974 0 50 HFAA O=C(Cc1c[nH]c2cnccc12)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1324913284 LEEMGJHVWRVVLY-IBGZPJMESA-N 418.545 2.561 0 50 HFAA O=C(c1ccc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)cc1)N1CCOCC1 1506403485 BUJCHPISSZSLAM-FQEVSTJZSA-N 414.527 2.806 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 1506421640 SQQWIGPGRNFYJG-UHFFFAOYSA-N 412.895 2.787 0 50 HFAA O=C(c1cnc[nH]1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN([C@@H]2CCc3ccccc3C2)CCO1 1857695393 HXSBYUJGBOTRGU-YOEKFXIASA-N 406.530 2.805 0 50 HFAA NCc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cc(Cl)ccn2)cc1 1875343304 HHTXJCIOKZQMJJ-UHFFFAOYSA-N 401.875 2.979 0 50 HFAA NC(=O)Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 1875362439 FHBYMGVQJWWGJL-QGZVFWFLSA-N 403.276 2.691 0 50 HFAA CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)ccc1OCCN(C)C)CC2 2325738369 XNMFBVFZZLVERZ-OAHLLOKOSA-N 405.930 2.740 0 50 HFAA NC(=O)c1cccc(CCNc2nccn3cc(I)cc23)c1 2325839955 KKUXLCXRZZZEDQ-UHFFFAOYSA-N 406.227 2.692 0 50 HFAA O=C(c1cnc2ccccc2n1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356168096 PDJFGUIEEQEVCM-QHCPKHFHSA-N 401.470 2.822 0 50 HFAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cccc(/C=C/C(=O)O)c1 949298 UFLCZTRLBPDORG-KZZDLZNXSA-N 403.412 2.692 0 50 HFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2846390 WZISJLHVESMKJT-UHFFFAOYSA-N 418.515 2.963 0 50 HFAA COC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4764027 UKSHMMNPSXEPKW-VQTJNVASSA-N 410.470 2.688 0 50 HFAA CCOC(=O)[C@H]1CCCN(Cc2cc(I)c(O)c(OC)c2)C1 4988095 OTNQYEDDFJUWEP-LBPRGKRZSA-N 419.259 2.781 0 50 HFAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 11980929 JMYNIZMNLSEQFF-UHFFFAOYSA-N 407.474 2.934 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1CCCc1ccccc1 12316076 NPLBYMBXPWWQAB-UHFFFAOYSA-N 405.564 2.920 0 50 HFAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2cncs2)CC1=O 14533666 OVKLTTUVFQFDHI-MRXNPFEDSA-N 405.495 2.808 0 50 HFAA Cc1nc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)cs1 15062782 BAZSFEGZWCGYIK-OAQYLSRUSA-N 422.554 2.954 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)n[nH]1 20537468 KBDXJIPKGQHJAS-NRFANRHFSA-N 423.561 2.695 0 50 HFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C 20599338 IMOONJVQZIJGRL-INIZCTEOSA-N 409.490 2.737 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 20721513 IAWBYDKLZGQHKN-UHFFFAOYSA-N 407.470 2.794 0 50 HFAA COc1cc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc(OC)c1OC 49549427 DIBQDCIOECSBFX-UHFFFAOYSA-N 401.444 2.636 0 50 HFAA C[C@@H]1NC(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)=NN(c2ccccc2)C1=O 242339292 ZGOVQTQNSHTUCC-NORZTCDRSA-N 400.841 2.790 0 50 HFAA COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 245265723 HJJKDLIBRIGVBH-RVKKMQEKSA-N 410.417 2.964 0 50 HFAA Cn1cncc1CC(=O)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893034 KPFMVTZHYIXJKP-GOSISDBHSA-N 423.370 2.884 0 50 HFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)C[C@H]2O)n[nH]1 1529098386 CVSAQMOKLDDHFJ-RDTXWAMCSA-N 409.456 2.636 0 50 HFAA O=C(CCCc1cn[nH]c1)N[C@H]1CCC[C@H]2CN(C(=O)CCC(F)(F)F)C[C@@H]12 1857700061 LBRQZDYAFXSPAI-XHSDSOJGSA-N 400.445 2.818 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2ccccc2F)cn1 1857739925 ZHGAEFWOCISXNP-UNMCSNQZSA-N 400.498 2.556 0 50 HFAA Cc1cc(C)nc(-c2cn(CCCCCCCC(=O)N3CC[C@H](C(=O)O)C3)nn2)n1 1875353704 CXLOCCLLODQMPD-KRWDZBQOSA-N 414.510 2.626 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 1875365378 NUOVUZOOXIWBJB-HNNXBMFYSA-N 404.816 2.933 0 50 HFAA CCN(CC)c1ncc(Cl)c(C(=O)NCCC(=O)N2CCc3sccc3C2)n1 2325728425 SEOUSMCZPVYELB-UHFFFAOYSA-N 421.954 2.743 0 50 HFAA C[C@@]1(O)CCOC2(CCN(C(=O)CCC(=O)Nc3ccc4c(c3)CCC4)CC2)C1 2356147454 WWVNCXYWWQLUJN-JOCHJYFZSA-N 400.519 2.817 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3nnc(O)c4ccccc34)C2)[C@@H]2CCCC(=O)N12 2356161974 RMFWHQSYNIMBGV-QXGSTGNESA-N 408.502 2.977 0 50 HFAA CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1 2835861 MRRAQQPGODFLDK-UHFFFAOYSA-N 403.327 2.792 0 50 HFAA biogenic COC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)cc1 11769828 GDHLQQSHFAFDCI-OAQYLSRUSA-N 408.498 2.961 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F 12591587 YQMWCVLUITYCKH-INIZCTEOSA-N 416.497 2.507 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)Cc1cscn1)C2 14740592 SISNXWLNHAXMJY-HNNXBMFYSA-N 405.593 2.538 0 50 HFAA COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@H](O)CN1CCSCC1 15070680 ABZYDPZFFPYBQF-HXUWFJFHSA-N 417.575 2.511 0 50 HFAA CCCCc1nc(CN2CC(=O)N(Cc3ccc(OC)cc3)C[C@H](OC)C2)c[nH]1 19792642 PKCSBEPVJXUWSK-HXUWFJFHSA-N 400.523 2.620 0 50 HFAA Cc1ccccc1Nc1nc(N)nc(CN2CCN(CCc3ccccc3)CC2)n1 19899171 QSJIJVNSRRXJQB-UHFFFAOYSA-N 403.534 2.866 0 50 HFAA COCCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2)n1Cc1ccccc1 55152876 RESLBAOXEYDJOR-UHFFFAOYSA-N 413.543 2.984 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](OC)C2)n1CCCc1ccccc1 55183162 KXFVUOMXDZDOJV-HXUWFJFHSA-N 405.564 2.920 0 50 HFAA O=C(Cc1cccc(F)c1)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 169775632 GPADUHPFUSVUKY-UHFFFAOYSA-N 408.408 2.800 0 50 HFAA O=C(C[C@H]1CSCCS1)N1CCC(O)(c2scnc2Br)CC1 225489246 KRLZPFBQWPFRCJ-JTQLQIEISA-N 423.423 2.954 0 50 HFAA O=C(N[C@H](CO)Cc1ccccc1)c1cn(Cc2ccncc2)c(=O)c2ccccc12 253407922 KHFYABTURQKHCG-FQEVSTJZSA-N 413.477 2.778 0 50 HFAA biogenic CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 390832718 NCDBSLCKDDCLLT-ACJLOTCBSA-N 421.494 2.517 0 50 HFAA COc1ccc(C(=O)Nc2cc3c(N4CCCCC4)ncnc3nc2O)cc1OC 390834905 PKLWVIIPBCZNJM-UHFFFAOYSA-N 409.446 2.990 0 50 HFAA CC[C@H](CNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 476084323 NWVKSZBRMZJNEB-KZNAEPCWSA-N 413.522 2.834 0 50 HFAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 498745092 FZXGEGOEHVQNIF-RSPOEFSDSA-N 409.530 2.604 0 50 HFAA O=C(O)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c2ccccc21 742030333 XWCKWNTYYZWJEI-AWEZNQCLSA-N 400.456 2.729 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCCN(Cc2ccccc2F)C1 828012970 CNAZHFMXQFKSNK-SFHVURJKSA-N 404.507 2.770 0 50 HFAA OCCCN1CCC2(CCc3c(N4CC[C@H](CO)C4)nc(-c4ccccc4)nc32)CC1 1857682793 NSDBNBVWJCTGGY-IBGZPJMESA-N 422.573 2.624 0 50 HFAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCc1c(C)nc2nc(=N)[nH]n2c1C 1875261106 BFHJJPQWICPOGI-UHFFFAOYSA-N 424.896 2.873 0 50 HFAA CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3n[nH]c4ccc(O)cc34)cc2)C1 1875350071 ZNSLDQQMUDQANX-MRXNPFEDSA-N 407.474 2.687 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncnc4)C3)c3cccc(=O)n32)c1 2356153947 BOIYVKJMHPAMQK-FGSXEWAUSA-N 416.481 2.690 0 50 HFAA CSc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(C)cc2)cc1 835434 NDHFRJPUEQBCNH-UHFFFAOYSA-N 420.556 2.771 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1Br 2851727 PHMFXGYVAIRACS-UHFFFAOYSA-N 400.250 2.665 0 50 HFAA COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 2853621 WEFURCRKJWEMFE-UHFFFAOYSA-N 412.511 2.828 0 50 HFAA CCN(c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 2900752 OEESGKMREZFWLR-KRWDZBQOSA-N 417.405 2.825 0 50 HFAA COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1OC 4451026 HWDXPNJCFNUQGU-UHFFFAOYSA-N 420.487 2.749 0 50 HFAA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC 4764326 YEQVNYWGTWEHKN-HYVNUMGLSA-N 410.536 2.738 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 12299113 HFCVWOOJAQKSHD-IBGZPJMESA-N 412.534 2.804 0 50 HFAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NCCc1ccc(OC)c(OC)c1)C2 12455884 ZTOMREXHPNCYAU-MRXNPFEDSA-N 414.502 2.654 0 50 HFAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CN2CCCC2=O)C1 12715899 VZIWWYPKHJKMPG-QHCPKHFHSA-N 400.519 2.804 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14533669 DXPZDEAZWCLYQL-GOSISDBHSA-N 402.564 2.638 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cc2nonc2C)C1 14969036 ZGRFNYLCZNGGMD-HXUWFJFHSA-N 407.417 2.613 0 50 HFAA Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)o1 17083135 CECMTGMXKYKRCF-UHFFFAOYSA-N 405.339 2.919 0 50 HFAA O=C1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H](OCC2CC2)CN1Cc1ccccc1 20208320 HVMVQUIRXHTTEG-GMAHTHKFSA-N 420.509 2.656 0 50 HFAA C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccccc1)CC2)c1ccccc1 20856568 COHVNLPDDGYVIS-GOSISDBHSA-N 404.514 2.925 0 50 HFAA CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCCc4ccc(F)cc4)C3)nn12 32101898 GCWZSNXLPIRCJA-KRWDZBQOSA-N 410.497 2.962 0 50 HFAA CCOC(=O)C1=C(C)NC(COCCN)=C(C(=O)OCC)[C@H]1c1ccccc1Cl 65734351 BGGLOZPVAWMSEB-SFHVURJKSA-N 422.909 2.656 0 50 HFAA in-vitro CC(C)NC(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82096703 MUWWAYPPAHUWIO-FQEVSTJZSA-N 400.567 2.640 0 50 HFAA O=C(NCCc1cccnc1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82107125 GZDPZTFSEKRJPW-QFIPXVFZSA-N 407.562 2.512 0 50 HFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1 170625519 DJFIOEBBGXRINU-IBGZPJMESA-N 406.442 2.668 0 50 HFAA biogenic O=C(CCn1c(=O)sc2ccccc21)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 217758521 NYVNTMSXKLAYRO-MRXNPFEDSA-N 409.467 2.747 0 50 HFAA biogenic C[C@H](c1ncc(Br)cn1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 225521452 SSRXCHQKYRQSCZ-GFCCVEGCSA-N 409.332 2.798 0 50 HFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(F)cc1)[C@@H]1C[C@@H]31 239331304 KLRHIQVZIOFVSA-OJFNHCPVSA-N 408.351 2.732 0 50 HFAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccccc1Cl)N1N=Cc3ccccc3[C@@H]21 249692701 MWJBSBULFXAXKK-ZSYWTGECSA-N 407.857 2.917 0 50 HFAA COc1ccc(N2C(=O)[C@@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)N=C2O)cc1 252498852 RNNGXYFCEBQIFD-QGZVFWFLSA-N 416.522 2.530 0 50 HFAA CCOc1ccnc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1 303283479 FWHAUIYDZMAEJO-UHFFFAOYSA-N 410.305 2.943 0 50 HFAA CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)ncn1 479525739 KQQISIXFORVVKE-KRWDZBQOSA-N 420.521 2.719 0 50 HFAA Cc1cccc2c(CCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)c[nH]c12 743549018 UANAFMGLXBOPHL-CTNGQTDRSA-N 421.497 2.907 0 50 HFAA C/C(=C\C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C(F)(F)F)cc1 754530733 NMKOMOPPAFLYAT-YQCJOKCJSA-N 406.408 2.783 0 50 HFAA CC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc(S(C)(=O)=O)cc1 952965667 FUXQVIYUZGXWLI-LJQANCHMSA-N 402.516 2.808 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncnc3sccc23)CC1 1857736155 XVTDZNJBEBBCAL-UHFFFAOYSA-N 424.530 2.508 0 50 HFAA CNC(=O)CN1CCCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 1875258081 FQXSMEWXMJAFSO-UHFFFAOYSA-N 404.514 2.584 0 50 HFAA CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 633154 AUJNFKJRURICTQ-UHFFFAOYSA-N 415.247 2.756 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 953223 OVDWSQMCKVRUNG-OAHLLOKOSA-N 423.535 2.524 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccccc3)C2=O)cc1 1126665 JQYMWPBSWICARG-QGZVFWFLSA-N 412.467 2.867 0 50 HFAA COC(=O)c1c(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)sc(C)c1C 2832677 GIDXZXAABGJBOC-NSHDSACASA-N 420.468 2.669 0 50 HFAA NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3s2)CC1 4258255 ZVCWSVGBOGFIQK-UHFFFAOYSA-N 418.588 2.721 0 50 HFAA c1ccc(-c2nnc3ccc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nn23)cc1 4593480 RKQOKTDPFSZVCL-UHFFFAOYSA-N 414.469 2.842 0 50 HFAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 6268827 UBDWLSLFWOHQPW-UHFFFAOYSA-N 413.455 2.833 0 50 HFAA CC(C)C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 8607312 QFUNTUHHPWYAPA-UHFFFAOYSA-N 412.471 2.980 0 50 HFAA COC(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)cc1 11783747 YSUKRAZGAHCAES-NRFANRHFSA-N 423.513 2.812 0 50 HFAA C[C@H](Sc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C)C(=O)NC(C)(C)C 12383978 GMCQIHWGPLSJIU-RYUDHWBXSA-N 407.515 2.841 0 50 HFAA COC(=O)CC[C@H](C)N1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 12429640 UGEVUGZQQRFGJB-HNNXBMFYSA-N 404.507 2.772 0 50 HFAA O=C(c1ccc(=O)[nH]c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14743845 LVCXFMFTAUYWQH-NRFANRHFSA-N 423.513 2.577 0 50 HFAA O=C(NCc1cc(-c2ccccc2)[nH]n1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 15007464 LUQSSTUMAGNQHO-NRFANRHFSA-N 404.426 2.809 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc(OC)c1OC 39420761 TWHJOGFASHVQKT-HXUWFJFHSA-N 418.509 2.920 0 50 HFAA Cc1cccnc1CN1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 55568880 ZJAPPNQOYGDSBU-UHFFFAOYSA-N 416.489 2.651 0 50 HFAA O=C(NCc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 72437299 NUNGZYMCNVIQLA-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 148386850 JFYDCBQMLUGBIM-ABAIWWIYSA-N 401.290 2.866 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1 241338651 MCRXYUFUOBRTPJ-IYXGVVJKSA-N 409.552 2.633 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 253370565 SNRJLFRKZDKRJP-IAOVAPTHSA-N 400.928 2.666 0 50 HFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)C1=CC[C@H]2C1=CC(=O)OC1 254481797 MXFWAFDRZXOGBT-FMYILANFSA-N 402.487 2.589 0 50 HFAA O=C(Nc1nnc2ccccn12)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 437793793 CUNGUSDOGSKYCF-AWEZNQCLSA-N 411.466 3.335 0 50 HFAA O=C(c1cnnc(O)c1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952891592 ALXDNLDTVKRFCV-KRWDZBQOSA-N 423.326 2.718 0 50 HFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cc(-c2ccno2)cs1 952991248 VOWUXBNYEZFBNW-ZDUSSCGKSA-N 409.533 2.815 0 50 HFAA COc1nc2c(cc1C(=O)N1C[C@H](O)[C@H](Cc3ccnc4ccccc34)C1)CCC2 1704351066 FDLUHJYATVVFFR-VGSWGCGISA-N 403.482 2.803 0 50 HFAA COc1ccc(C(=O)NCCn2ccc(C)n2)cc1Oc1cccc(OC)c1CN 1857692061 MUKAXKCQMWERDO-UHFFFAOYSA-N 410.474 2.890 0 50 HFAA O=C(NCc1ccc2sccc2c1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857694472 PKXVJIGYMZIAAP-TXTKFYIRSA-N 413.587 2.998 0 50 HFAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)ccc1F 1857739306 NWQGDRNIFBIHFR-SFTDATJTSA-N 400.498 2.936 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)CC1 1875365614 GGKYBEGJIGTVCQ-GOSISDBHSA-N 412.534 2.780 0 50 HFAA CCc1ccccc1N1C(=O)C(=CN[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082933776 GNVKSPMRJMBLLX-INIZCTEOSA-N 410.495 2.554 0 50 HFAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(I)cc1 1049379 MSHKCCOHDGODSM-UHFFFAOYSA-N 416.240 2.915 0 50 HFAA Cc1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 1125762 DEEPBDWDIJZBHA-UHFFFAOYSA-N 411.302 2.669 0 50 HFAA CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C(C)=C1C(=O)OC 2877413 CCSIZLRBUSDRPG-QGZVFWFLSA-N 402.369 2.676 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 6700768 SJZNORFNKRWXNJ-HNNXBMFYSA-N 404.488 2.743 0 50 HFAA COc1cccc2c1OCC(CN1CCC(CCC(=O)N3CCOCC3)CC1)=C2 12612345 PLTYOLOBODYPJE-UHFFFAOYSA-N 400.519 2.822 0 50 HFAA CCN(CC)C(=O)C1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 12712826 QXGUKOZRMOCIOT-UHFFFAOYSA-N 409.494 2.710 0 50 HFAA Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641298 LXDNDTOOCAGKBV-HNNXBMFYSA-N 406.442 2.847 0 50 HFAA CCc1nc(C)c(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)[nH]1 14533894 YAJBLNLGGAMPET-UHFFFAOYSA-N 409.534 2.752 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1coc3ccccc3c1=O)C2 14750508 MNQYLKUUXCSGBA-UHFFFAOYSA-N 406.486 2.804 0 50 HFAA CC(C)c1c(C(=O)N2CCN(C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 14984652 STOVGBUUYMDBRJ-UHFFFAOYSA-N 408.481 2.979 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(CCCc3ccccc3)CC2)O1)c1cc[n+]([O-])cc1 15070793 MVMJOMSQFNATSB-QFIPXVFZSA-N 409.530 2.696 0 50 HFAA CSCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19227213 JQICZSDJWFHBAE-FQEVSTJZSA-N 403.592 2.713 0 50 HFAA CN(C)CCN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 19300995 UCUZGALXLYKNKG-IBGZPJMESA-N 407.562 2.869 0 50 HFAA Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1 20905781 AMUWAVNCUGJBRX-SFHVURJKSA-N 404.518 2.839 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1Cc1ccccc1F 55211839 YPQCYYHGXPVIQW-UHFFFAOYSA-N 417.510 2.675 0 50 HFAA COCCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2C1 77302314 OFXYIUYEKNKCAS-INIZCTEOSA-N 402.516 2.647 0 50 HFAA COc1cc2c(=O)[nH]c(-c3cnc(OCC(F)(F)F)cn3)nc2cc1OC(F)F 170610886 AZAIREVFICVLMG-UHFFFAOYSA-N 418.278 2.931 0 50 HFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@]4(C=C(CN(C=O)C2)[C@@H]31)OC[C@H](C)O4 214473893 RQZZCEGUBKQEEX-NIOWNGSVSA-N 422.275 2.736 0 50 HFAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 238950817 ZSDOFPOOXFKXDY-JTDSTZFVSA-N 424.375 2.895 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239038531 DJNCQJOYNJLCIF-QIXRLVSCSA-N 422.481 2.632 0 50 HFAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cc2ncc(CCO)cn2n1 828773638 VRJDHEGXNTXQDG-NRFANRHFSA-N 407.518 2.611 0 50 HFAA O=C1N[C@H](CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(=O)Nc2ccccc21 886025164 BHFAEXUWDNERFI-OAQYLSRUSA-N 414.465 2.924 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529159388 PNSQQNYJSZJGDF-DVECYGJZSA-N 417.509 2.747 0 50 HFAA CCCCc1nc(CN2C[C@H]3CN(C(=O)c4ccccc4)C[C@]3(CO)C2)c(Cl)[nH]1 1772807839 CFKOEOSFAURYEY-JTSKRJEESA-N 416.953 2.972 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(CCc3ccccc3)C2)c(C)o1 1772811471 WVAUQGHOSJNRMX-SIKLNZKXSA-N 416.543 2.863 0 50 HFAA Cn1cc(C(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 1775983386 WRINTVXPSMEYSE-UHFFFAOYSA-N 403.529 2.777 0 50 HFAA CCCCc1ncc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C[C@H]3CCOC3)CCO2)[nH]1 1857671496 UAGAMYDGEBWLEM-WQJYWUQFSA-N 402.583 2.987 0 50 HFAA CCn1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c(C)n1 1857673827 ZOIABHGHZWFJEQ-HSZRJFAPSA-N 418.501 2.889 0 50 HFAA CCCO[C@H]1C[C@@H](c2nc(Cc3ccccc3OC)nn2CCCO)CC[C@@H]1N 1875245638 JPVTYZCNCWXFET-BJLQDIEVSA-N 402.539 2.650 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CC1 1875365483 DCASTRCGIVJQPP-KRWDZBQOSA-N 412.408 2.910 0 50 HFAA CN(C[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc3c(c1)CCCC(=O)N3)CC2)C1CC1 2325718804 BNSWTGFIPGAIPX-QGZVFWFLSA-N 424.545 2.623 0 50 HFAA CNC(=O)CNc1cccc(-c2cn(Cc3cc4ccc(F)cc4nc3O)nn2)c1 2325860452 ITGVCFWMOWPRBZ-UHFFFAOYSA-N 406.421 2.544 0 50 HFAA O=C(CC1(O)CCCCC1)N[C@@H](Cc1ccc(Br)cc1F)C(=O)O 2325874616 UKKKLSFCXOCVGK-AWEZNQCLSA-N 402.260 2.785 0 50 HFAA Cc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)O)ccc2N2CCOCC2)cc1 794604 JTSUXVQALFHHOA-UHFFFAOYSA-N 411.458 2.887 0 50 HFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 800958 LGTUPYFYRDTLTR-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)cc1 857063 KIONQWRVLIVCKB-UHFFFAOYSA-N 416.543 2.987 0 50 HFAA CCOC(=O)c1ccc2nc(NC(=O)COC(=O)c3nn(C)cc3Cl)sc2c1 878214 UAXJBXSTXKIFDQ-UHFFFAOYSA-N 422.850 2.655 0 50 HFAA Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 2872469 LMSWTXZSVFXGBV-OAHLLOKOSA-N 404.488 2.503 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)C(=O)[C@H](C)CC)CC2)NC(=O)N(Cc2ccco2)C1=O 11968851 WFBFFSAIHPQIIJ-QRQCRPRQSA-N 417.506 2.724 0 50 HFAA CCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c(=O)c2ccc(C)nc21 12321815 WBPYPVRCDKPSAV-UHFFFAOYSA-N 407.470 2.941 0 50 HFAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NC[C@@H]1COCCO1 12457569 WGRVCBWNYNPPCV-MRXNPFEDSA-N 405.882 2.657 0 50 HFAA CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1O 16214002 PRZKPJHKDKMJIK-VZUCSPMQSA-N 416.249 2.763 0 50 HFAA O=C(NCC1(N2CCOCC2)CCCC1)c1cc(COc2c(F)cccc2F)on1 20454688 QORWUAQYOWFFRQ-UHFFFAOYSA-N 421.444 2.907 0 50 HFAA O=C(c1cn(CCc2ccccc2)nn1)N1CCN([C@H]2CCc3ccccc3C2)CC1 55060594 OXWWWGVWFXCMCV-QHCPKHFHSA-N 415.541 2.836 0 50 HFAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 55227605 IPQCJJCLFDQWDY-NRFANRHFSA-N 409.486 2.965 0 50 HFAA Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O 138309789 QYLJQLZZBMPXBT-UHFFFAOYSA-O 400.798 2.536 0 50 HFAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 239173698 OLZRPHJNCWOXLH-WDGISKTCSA-N 406.276 2.855 0 50 HFAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(N)=O)C1 239173969 PAJFERHLFUXCEV-DXUMZHCMSA-N 406.504 2.569 0 50 HFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 257373043 ITRJWOMZKQRYTA-LUKCQHEISA-N 402.487 2.561 0 50 HFAA biogenic Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc2nc(O)cc(C)c2c1 952970498 KVXZEUUCWNAADB-UHFFFAOYSA-N 400.504 2.952 0 50 HFAA COc1cccnc1CN1C[C@H]2CN(Cc3scnc3C)C[C@@]2(CCC(=O)O)C1 1772808188 IGONUEYZTKBSCN-HRAATJIYSA-N 416.547 2.654 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnc4c(c3)CCCC4)C1)CC2 1875246809 AYAWAGXLTXDLOC-QHCPKHFHSA-N 407.518 2.642 0 50 HFAA O=C(CNC(=O)c1ccc2nn[nH]c2c1)Nc1ccc(-n2cnc3ccccc32)cc1 1875263301 QAYBCAMQFNDECM-UHFFFAOYSA-N 411.425 2.665 0 50 HFAA CN(C)C(=O)CONC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1875263973 ZAZKWMFNAPVQLR-UHFFFAOYSA-N 403.460 2.750 0 50 HFAA O=C(N[C@H](CO)CCO)c1cc(-c2ccncc2)nc2ccc(Br)cc12 1875350037 YMUHYRSKJVFSMI-AWEZNQCLSA-N 416.275 2.532 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)s1 2325819349 BVPFLYQHHKMQCJ-GOEBONIOSA-N 406.529 2.780 0 50 HFAA O=C(c1cnn(CCN2CCOCC2)c1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822707 JUTLFFYRLUGJKO-UHFFFAOYSA-N 418.925 2.552 0 50 HFAA COc1nc2c(cc1C(=O)N1CCC[C@@]3(CCc4cnc(N(C)C)nc43)C1)CCC2 2356146783 VILACYFPPTWCOT-HSZRJFAPSA-N 407.518 2.555 0 50 HFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1 913311 RXDJQDFQBITAJU-KRWDZBQOSA-N 400.387 2.698 0 50 HFAA NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 1146511 FOVSVIQRZVFKFA-UHFFFAOYSA-N 413.238 3.000 0 50 HFAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 1160650 ZJAXUMRQVYAVTM-SFHVURJKSA-N 422.934 2.826 0 50 HFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1OC 4536337 FGAFIVCDSYNCEG-HNAYVOBHSA-N 404.463 2.834 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccncc2)CC1 11817133 ODCBJGZBAGWWLC-NRFANRHFSA-N 400.567 2.634 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CCN(C(=O)c1csnn1)C2 11839110 LVHLDPSMBUACQA-BQYQJAHWSA-N 419.510 2.770 0 50 HFAA CC(C)CCn1cc(C(=O)NCc2cccnc2)c(=O)c(C(=O)NC2CCCC2)c1 12246795 VLVSGEPWXVIAOL-UHFFFAOYSA-N 410.518 2.892 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CC=C(c2ccccc2)CC1 13636609 ASIRNCVJPLBASQ-JOCHJYFZSA-N 407.489 2.832 0 50 HFAA CCC(CC)CN1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 14976811 VDFLMGDSOWBMQF-UHFFFAOYSA-N 409.534 2.738 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC 25665196 LTJQSTNUVQFFAX-PVAVHDDUSA-N 410.536 2.738 0 50 HFAA O=C1N[C@](Cc2ccccc2Cl)(C2CCNCC2)C(=O)N1Cc1cncs1 67562146 KVRXOIOFGHDTEL-LJQANCHMSA-N 404.923 2.829 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccco1 72125494 NZZULMHKIATMKJ-QHCPKHFHSA-N 417.509 2.918 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239046993 GBMHRPRDDQCAOV-DPXVYKJRSA-N 400.862 2.730 0 50 HFAA Cc1c(OCC(=O)Nc2ccc(Br)cc2Cl)c(=O)ccn1CCO 263588782 YGUDKPUAPBJMSB-UHFFFAOYSA-N 415.671 2.582 0 50 HFAA COc1ccc(CCN(Cc2ccccc2F)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 824664765 RPOXBTCCMRLJFO-SFHVURJKSA-N 420.506 2.776 0 50 HFAA CCc1noc(C[C@@]2(O)CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)n1 856565785 YNIBWODURXGWPI-QFIPXVFZSA-N 406.490 2.547 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)nc(N)n1 952861254 ZEPYRTZILMIRFK-UHFFFAOYSA-N 421.545 2.694 0 50 HFAA O=C(/C=C/c1cc(CO)cs1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 952989602 NSDKELVHSFZAAT-VOTSOKGWSA-N 422.510 2.765 0 50 HFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 1506417972 UKXIQYXCYUVMCS-KRWDZBQOSA-N 407.470 2.982 0 50 HFAA Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)c(Cl)cc1F 1506418960 VGKUZHRYVCYDFK-MRXNPFEDSA-N 400.834 2.788 0 50 HFAA Cc1nn(C)cc1S(=O)(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330497 XETSBLSHXDZKFS-QFIPXVFZSA-N 423.542 2.854 0 50 HFAA Cc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)O)Cc2cn(Cc3ccc(C)o3)nn2)cc1 1875355206 CWNOKZJBZOWEJY-FUHWJXTLSA-N 410.474 2.842 0 50 HFAA CCOc1c(Br)cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1OC 684082 KJSGRJVXIPZQEI-AWEZNQCLSA-N 413.268 3.000 0 50 HFAA O=C([C@@H]1CCCNC1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356154503 YCJBYPUIKDQJOB-DGYCAGFBSA-N 413.537 2.596 0 50 HFAA CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)s1 2811994 IJHUDWIKHSBANY-UHFFFAOYSA-N 412.562 2.995 0 50 HFAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 10302809 CPSAOWSIPSZZTG-UHFFFAOYSA-N 420.506 2.860 0 50 HFAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 8262881 LGGXQUGQEGTTJR-SFHVURJKSA-N 421.497 2.713 0 50 HFAA COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)c1 9426898 DZICCDMFHQEXML-UHFFFAOYSA-N 412.471 2.993 0 50 HFAA COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@](O)(c2ccccc2)C1 22147753 SDYVQRRHGJLQRU-GOSISDBHSA-N 403.232 2.669 0 50 HFAA CCN1CCN(CC(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 20905505 MXHAZGSWMSFJMZ-XMMPIXPASA-N 404.643 2.909 0 50 HFAA O=C(c1ccc2c(c1)OCCCO2)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 36357815 SNWJRHUOONYMSS-UHFFFAOYSA-N 405.454 2.927 0 50 HFAA CCN(Cc1ccncc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77320484 HBQAOLAULZAKSB-JCUDRXCFSA-N 421.472 2.551 0 50 HFAA O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 230040880 IRZZJTHBFUXJFL-VGXLZQLXSA-N 414.521 2.853 0 50 HFAA Cc1ncc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)c(=O)[nH]1 95528325 VJTYCPGUSYRYFX-QGZVFWFLSA-N 402.926 2.758 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 253487849 RVKGMCXDGHVMIK-HLLQZAQXSA-N 409.486 2.599 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 824595803 AEQIQMLFOQIZCA-UHFFFAOYSA-N 403.446 2.785 0 50 HFAA CCCN1C[C@@H](NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)CC1=O 670447668 YYRXQURKFFSGDU-JTQLQIEISA-N 423.438 2.711 0 50 HFAA CCOc1ccccc1N1CCN(CC(=O)Nc2nnc([C@H]3CCCO3)s2)CC1 1506410025 CNNYNELIDHZWKF-QGZVFWFLSA-N 417.535 2.549 0 50 HFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)CC12CCOCC2 1800410134 OKUXOQVLQTVYHH-LBPRGKRZSA-N 405.344 2.877 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)o1 11818158 ZZJRZCDQGZVWCT-HXUWFJFHSA-N 417.550 2.508 0 50 HFAA O=C(Cn1c([C@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21)N1CCOCC1 12062203 IMHKDXINMLZRGL-KRWDZBQOSA-N 410.518 2.544 0 50 HFAA COCCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 12305156 CVKJGLAKARHGMI-UHFFFAOYSA-N 413.566 2.503 0 50 HFAA CS(=O)(=O)c1ncc(CN2CCC(Cc3ccccc3)CC2)n1C[C@@H]1CCCO1 12438569 QUFXXJFEISVNFZ-NRFANRHFSA-N 417.575 2.920 0 50 HFAA CN(C(=O)c1ccc(Cn2cnnn2)cc1)[C@H]1CCCN(CCCc2ccccc2)C1 12714904 SHQRWZZRAYNFIH-QHCPKHFHSA-N 418.545 2.891 0 50 HFAA CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 14538935 CAGKYSSAMMCDDK-UHFFFAOYSA-N 421.501 2.772 0 50 HFAA Cc1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)n[nH]1 19113297 RLDRILOGAXLYKZ-UHFFFAOYSA-N 408.462 2.733 0 50 HFAA O=C(N1CCC(c2ccncc2)CC1)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857705562 MLJULKRHIWHDNX-UPVQGACJSA-N 412.578 2.553 0 50 HFAA Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@]2(C)CCN(C)C2=O)c1Cl 2325821007 QRCIGGFGAMVLAY-MWBIGIAMSA-N 423.966 2.830 0 50 HFAA CC(C)[C@H](O)C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O 2325877255 NIACMTTVFBTZLW-NSHDSACASA-N 404.357 2.668 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(CC)cc3)CC2)cc1 919978161 CBIKYUPOANNZJC-UHFFFAOYSA-N 405.498 2.649 0 50 HFAA COc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c(OC)c1 795494 JAIGAQZDYXKHTC-UHFFFAOYSA-N 412.530 2.937 0 50 HFAA CCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc(C(C)=O)c1C 2867155 SLFPWNUQDSMAQY-UHFFFAOYSA-N 402.428 2.982 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2)cc1OC 5050164 ISICTKANBRVWRN-UHFFFAOYSA-N 412.895 2.641 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCCc1ccccc1F)C3 12036851 ZHHPONDHLKAKPB-INIZCTEOSA-N 414.550 2.848 0 50 HFAA Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)[C@@H]1CCCN(C)C1)C2 12131836 WHKJJPJQTORPQR-MRXNPFEDSA-N 412.559 2.608 0 50 HFAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCO2)CC1 12429305 AUNNPVWMZAZVTL-IBGZPJMESA-N 412.490 2.633 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccc(C)cc3)cc2)CC1 12579221 RCMHFJAKKVSIEE-UHFFFAOYSA-N 410.514 2.984 0 50 HFAA CCOc1ccc2nc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)sc2c1 14753840 XDNDARUMXHBVIR-UHFFFAOYSA-N 414.487 2.685 0 50 HFAA O=C(c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1)N1CCSCC1 20149177 JPJNHEUHUMVFLJ-UHFFFAOYSA-N 411.527 2.954 0 50 HFAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCCCn1nnc2ccccc21 23337291 PLFQCCDWFMRMKH-UHFFFAOYSA-N 411.897 2.614 0 50 HFAA CO[C@@H]1CCCN(C(=O)C2CCN(C3CCN(Cc4cccc(C)n4)CC3)CC2)C1 43004977 OVYOHPHQZJLQRT-HSZRJFAPSA-N 414.594 2.704 0 50 HFAA CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)CC1 55225304 LJTHXJZVGLRJIA-UHFFFAOYSA-N 420.517 2.814 0 50 HFAA CCCCOc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 67604914 XOBRTSYVADWPQM-UHFFFAOYSA-N 406.490 2.804 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnc(C(C)C)nc1)C2 95364028 ULBDUQQMTBHWPA-XPNTWCBSSA-N 402.583 2.939 0 50 HFAA O=C(Nc1cn(Cc2ccccc2)nn1)[C@H]1CCCN1c1ncnc2sccc12 170601812 GZWWKSKYXLBVQS-MRXNPFEDSA-N 405.487 2.939 0 50 HFAA O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 225764114 ZFEPUUSIUPUDIZ-KUDNYVPYSA-N 400.500 2.981 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 230245769 AYBBIUXAAWOESG-ROUUACIJSA-N 407.555 2.588 0 50 HFAA CN1CCN([C@H](c2ccc(Br)s2)c2sc3ncnn3c2O)CC1 252491663 LPWHDONUGOQGLX-LLVKDONJSA-N 414.354 2.657 0 50 HFAA COc1cccc(OC)c1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 328598173 KSHUNFORNBNSMN-KRWDZBQOSA-N 417.487 2.773 0 50 HFAA COc1ccc(-c2cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)no2)cc1 334161745 FDPDTTGXBNDAAS-HNNXBMFYSA-N 409.406 2.645 0 50 HFAA C[C@]1(c2ccc(CNC(=O)[C@H]3C[C@]34CCCc3ccccc34)cc2)NC(=O)NC1=O 439173357 XDNDUTGLVZZFGL-FOVJLYNBSA-N 403.482 2.652 0 50 HFAA O=C(c1ccncc1)N1CCC(NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 1506430261 ABOUQCQQETYAPC-WVKNIADZSA-N 406.534 2.615 0 50 HFAA Cc1cccc(Nc2nc(N)nc(CN(C)C[C@@H]3Cc4ccccc4CN3C)n2)c1 1529172350 KRVIQCLAQLBNEC-FQEVSTJZSA-N 403.534 2.994 0 50 HFAA CN(CCc1ccccn1)[C@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1O 1614334898 CDKSZKXJCAMGSR-GOTSBHOMSA-N 405.546 2.592 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cccnc2)CC1 1857703273 PCBZIOXGVIEJEG-JOCHJYFZSA-N 413.493 2.534 0 50 HFAA C[C@@H]1Cc2cc(Br)cc(F)c2CN1C(=O)c1cnn2c1C[C@@H](N)CC2 2325829608 NVLRTERRGPQAIJ-MFKMUULPSA-N 407.287 2.645 0 50 HFAA CC(F)(F)c1cncc(C(=O)N[C@H](Cc2cncc(Br)c2)C(=O)O)c1 2325868979 SWEUDKUVJIPKFX-CYBMUJFWSA-N 414.206 2.777 0 50 HFAA C[C@@H](CNC(=O)c1cccc(-n2cccc2)c1)N(C)C(=O)Cc1cnc(C2CC2)[nH]1 2325872447 YFOOOPOWWSQAJH-INIZCTEOSA-N 405.502 2.897 0 50 HFAA Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1055824 IWJCTGGVHOKFRQ-UHFFFAOYSA-N 408.907 2.560 0 50 HFAA O=C(O)CCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 2953099 YWHIKIHEOSNENT-FOWTUZBSSA-N 417.259 2.811 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6702920 YBEVSIOFJIIISS-LJQANCHMSA-N 409.511 2.952 0 50 HFAA CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1cc(F)ccc1F 14882603 RPYKLLUQWBBJJL-MJGOQNOKSA-N 420.529 2.773 0 50 HFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCCOC(C)C)CC3)CC2)n1 19838303 FYINUPLUQCHWMZ-UHFFFAOYSA-N 402.583 2.608 0 50 HFAA O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2cccc(Cl)c2)CC1 22298844 PQHNHESRVGOBCN-UXHICEINSA-N 418.921 2.680 0 50 HFAA COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(OC)c3ccccc23)oc1C 39413437 ZCNHRSPEZUXMOV-IBGZPJMESA-N 423.469 2.675 0 50 HFAA CCOC(=O)[C@H](Cc1ccccc1)N(C)CC(=O)NCCc1c(F)cccc1F 170623614 OYRWIGJHJIMDLR-FQEVSTJZSA-N 404.457 2.730 0 50 HFAA CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(C)cc4)oc3nc2n(C)c1=O 225403324 HVNPNFVFDCMSPA-UHFFFAOYSA-N 422.441 2.555 0 50 HFAA C[C@H](N[C@H](CO)c1ccccc1F)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 225580047 VKHUFDWODBUPNP-ZLGUVYLKSA-N 402.466 2.875 0 50 HFAA CCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccc(OC)cc1 299785665 LFQRVFICPBGVGW-UHFFFAOYSA-N 408.502 2.793 0 50 HFAA Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)n[nH]2)c1 436179559 KPYYGYJLWPDLES-UHFFFAOYSA-N 400.435 2.844 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc2cc(F)ccc2[nH]1 670473381 XAZAGHQRPRQSFA-XAHYOPIXSA-N 404.489 2.604 0 50 HFAA COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)CCCC2)cc1OC 1704279966 AGPCDBIPCJSOEU-VQIMIIECSA-N 413.518 2.609 0 50 HFAA COc1ccc(C(=O)NCCOc2nonc2C)cc1Oc1cc(F)cc(CN)c1 1857685370 TVCRQOWQCCRYLN-UHFFFAOYSA-N 416.409 2.586 0 50 HFAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857712741 FRLSCTFJFGFSCJ-RRZZWSPOSA-N 404.466 2.859 0 50 HFAA CSc1ccc2c(C)cc(-n3nc(C)nc3[C@@H]3CCCN(CC(N)=O)C3)nc2c1 1940197579 AFYQBAPZARTKQV-OAHLLOKOSA-N 410.547 2.819 0 50 HFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 1075139 MIKJAFBJPCTOKL-UHFFFAOYSA-N 402.501 2.632 0 50 HFAA Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCCCC2)cc1 1119950 WPMCPHYEPKUFRA-UHFFFAOYSA-N 400.547 2.678 0 50 HFAA CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 2874096 FHXLTHHWLKREEX-UHFFFAOYSA-N 405.676 2.782 0 50 HFAA O=C(Cc1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 4749790 GBBNMPPVYGFTQG-UHFFFAOYSA-N 412.870 2.681 0 50 HFAA C[C@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 4770439 VDNNOHFMVQUDRY-HRAATJIYSA-N 400.500 2.964 0 50 HFAA O=C(NC1Cc2ccccc2C1)c1cc(COc2ccc(-n3cncn3)cc2)on1 11956723 IEIBESGHXBILMC-UHFFFAOYSA-N 401.426 2.732 0 50 HFAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)C1=O 12003057 YLPMNSLEEPIKIJ-CYBMUJFWSA-N 406.891 2.625 0 50 HFAA CN(Cc1ccsc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 12432726 HWKAAEPHPRISLD-SFHVURJKSA-N 409.577 2.939 0 50 HFAA O[C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1N1CCN(c2ccccn2)CC1 12468608 YGJGEYOWPHNGOZ-WOJBJXKFSA-N 404.917 2.632 0 50 HFAA COc1ccc(CNCCn2cccn2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12592689 VYUNRSJLKOMHLY-QFIPXVFZSA-N 424.545 2.553 0 50 HFAA CN(CCn1cccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O 14958283 YVDOSCVOUUCIMS-UHFFFAOYSA-N 411.525 2.955 0 50 HFAA CCOC(=O)c1sc(NC(=S)NC[C@H]2CCCO2)c(C(=O)OCC)c1C 17082011 CYATVUPKCRWZMH-LLVKDONJSA-N 400.522 2.875 0 50 HFAA O=C(NCc1ncc[nH]1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91988493 HHUIWJPZJWBAJZ-INIZCTEOSA-N 408.506 2.548 0 50 HFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC[C@@H]3c3ncon3)cc2C[C@H]1C 170594505 VDMBKHSFTWDGCN-FZKQIMNGSA-N 404.492 2.673 0 50 HFAA CN(CCN1CCCC1=O)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 170608371 DLALJJVNZQYAIZ-UHFFFAOYSA-N 415.534 2.717 0 50 HFAA CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]1c1coc2ccccc2c1=O 252428040 OOXIMMFKYHJNKC-SCTDSRPQSA-N 410.813 2.923 0 50 HFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCCCC3)N=C2O)cc1OC 252570430 WTADQJOHLVVFAH-QGZVFWFLSA-N 417.506 2.948 0 50 HFAA COc1cccc(OC)c1[C@H]1CC(c2cccs2)=NN1C(=O)CN1CCOCC1 328598599 NLWIGUWUNVSIQR-MRXNPFEDSA-N 415.515 2.775 0 50 HFAA Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)c1C 328605691 OWANKRLWFBMMQV-MRXNPFEDSA-N 411.437 2.954 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 685076811 QUHMWGZPRDSJEF-APWZRJJASA-N 416.547 2.688 0 50 HFAA O=C(CN1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1)NCC(F)F 952893394 LNTXRMNGDZWPKB-INIZCTEOSA-N 404.339 2.624 0 50 HFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 952966633 KRCGNRKGIMXUPJ-UHFFFAOYSA-N 401.444 2.638 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H]2CC(=O)OC24CCCC4)C3)cc1 952979136 MUPCZAIGYKPGJI-SFHVURJKSA-N 407.470 2.794 0 50 HFAA O=C(CCN1CCC[C@H](CNC(=O)c2ccc(F)cc2F)C1)Nc1cccnc1 1506417585 NSWAREOFZSZIOZ-OAHLLOKOSA-N 402.445 2.830 0 50 HFAA CCCS(=O)(=O)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988468 GHRAHBCNLCDWLG-WFASDCNBSA-N 414.453 2.899 0 50 HFAA COC(=O)N1CCCC[C@H]1C(=O)NCc1nc(-c2ccc(O)c(OC)c2)oc1C 1857701376 PUQRDZVUYIQFSL-HNNXBMFYSA-N 403.435 2.601 0 50 HFAA O=C(CCOc1ccccc1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857731234 DBNQCHSQYXRMMJ-ZCYQVOJMSA-N 424.541 2.881 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCCCN2CCCC[C@@H]2CC(=O)NCCC1 2100533485 RCYMZAHJTMVZPA-LJQANCHMSA-N 404.555 2.597 0 50 HFAA Cc1cc(C)n2nc(CC(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2n1 2325717503 LZTDFPOKRJANNM-XOKHGSTOSA-N 402.495 2.831 0 50 HFAA CCn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726730 AONSFJKNFLVMNR-UHFFFAOYSA-N 400.498 2.586 0 50 HFAA Cn1cc(-c2nc(-c3ccnc(N4CCC[C@H](O)C4)c3)no2)c(-c2cccnc2)n1 2325776742 RDKPGMMQXNUGNU-INIZCTEOSA-N 403.446 2.555 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 909081 QPBZUNMZVMIAIG-RVKKMQEKSA-N 410.348 2.505 0 50 HFAA COCCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 3004844 AMNXATRTUYNDRU-UHFFFAOYSA-N 410.923 2.602 0 50 HFAA CN(c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1)S(C)(=O)=O 9356087 OVETYKOGZZGGQN-UHFFFAOYSA-N 415.515 2.961 0 50 HFAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3nonc23)C1 11998654 HYPWPIADLHLKDE-QGZVFWFLSA-N 400.504 2.554 0 50 HFAA COc1ccc(OC)c(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 12128651 USSGPSLVIQDOEJ-GOSISDBHSA-N 413.522 2.759 0 50 HFAA CSc1ccccc1OCc1cc(C(=O)NCCN2CCCC[C@H]2CO)no1 12303358 RATYULYSXFFSRP-HNNXBMFYSA-N 405.520 2.552 0 50 HFAA Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1 14985338 ZCLKLVHCZAZMCT-HOTGVXAUSA-N 401.536 2.809 0 50 HFAA O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1(c2ccccc2)CCOCC1 16985299 AWBSJQKKPIYJST-UHFFFAOYSA-N 408.498 2.808 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 18181984 REUTTYCTCVNURE-INIZCTEOSA-N 405.285 2.843 0 50 HFAA Cc1cccc(CN2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@@H]2CCO)n1 19535030 PDTQMYMMPFBUPA-QFIPXVFZSA-N 409.509 2.784 0 50 HFAA Cc1ccn2c(CN(C)C[C@@H]3COCCO3)c(C(=O)N3CCCCCC3)nc2c1 19792782 PVQOCNLSHKZVJU-GOSISDBHSA-N 400.523 2.506 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1CO 23375265 IOPBFZDWYBBEGB-FQEVSTJZSA-N 420.500 2.925 0 50 HFAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)CC1 35800892 NHRGQAXBMHXYFQ-UHFFFAOYSA-N 411.886 2.668 0 50 HFAA O=C(O)CCc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCC3)c2)cc1 71767817 NATNNTNVWDXOPS-UHFFFAOYSA-N 403.456 2.854 0 50 HFAA C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@]34CCCc3ccccc34)cc2)NC(=O)NC1=O 439173359 XDNDUTGLVZZFGL-IEXUWNMDSA-N 403.482 2.652 0 50 HFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccccc1CN1CCOCC1 488901824 UTJGOXFGTUGKQT-QGZVFWFLSA-N 409.534 2.985 0 50 HFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)o2)c1C 952872218 KVGWGRMNIVVAKI-HNNXBMFYSA-N 414.487 2.965 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)C(=O)OCc2ccccc2)(c2ccccc2)CC1 1300124797 OZHNOUORGDOIHR-LJQANCHMSA-N 420.509 2.981 0 50 HFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCN(c2ccccc2C)CC1 1506429169 VWLASBRZGHQXMA-UHFFFAOYSA-N 418.515 2.532 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCc4cscn4)CC3=O)sc2c1 1857696683 LHYXVOACNKXCKF-LBPRGKRZSA-N 416.528 2.863 0 50 HFAA O=C(O)c1cc2c(s1)C1(CCN(Cc3noc([C@@H]4CCCO4)n3)CC1)OCC2 2356159523 FGAAOJSEODCACN-ZDUSSCGKSA-N 405.476 2.745 0 50 HFAA COc1cc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC 881744 HQTSQSGFAUUDSV-UHFFFAOYSA-N 403.460 2.798 0 50 HFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 1211065 LWBLSSSDZXEQSO-INIZCTEOSA-N 400.818 2.749 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 3464724 KRXFKWFWPKBELF-UYAOXDASSA-N 402.516 2.700 0 50 HFAA C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 3874553 RWQKHEORZBHNRI-ZUZCIYMTSA-N 403.818 2.573 0 50 HFAA biogenic Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCOCC4)cc3C[C@@H]2C)cc1 10327065 HAVNWFKKRQSZMZ-INIZCTEOSA-N 400.500 2.607 0 50 HFAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CSc3ncccn3)C2)o1 12454666 RJADHOPRIDZHFN-MRXNPFEDSA-N 402.520 2.805 0 50 HFAA COC[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)C1 14951453 GSDQLNAPZHMGJP-KRWDZBQOSA-N 400.519 2.965 0 50 HFAA CC(C)c1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 14958398 OOVKUCMUSMVPRK-FQEVSTJZSA-N 419.595 2.706 0 50 HFAA Cc1oc(-c2cccs2)nc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 14971485 QTMYMTSGXXMCHH-GOSISDBHSA-N 424.526 2.718 0 50 HFAA COCCn1c(C)cc(=O)c(C(=O)NCCCn2ccnc2)c1CC1CCCC1 14995696 MIWYHLRAHIONOF-UHFFFAOYSA-N 400.523 2.552 0 50 HFAA COc1ccccc1C(=O)N1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 19745601 JXVUSZXOZLURAK-UHFFFAOYSA-N 420.469 2.772 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@@H]1CC(=O)N1CCc2ccccc2C1 55041913 PBPUWLNWBFUDIB-HXUWFJFHSA-N 415.896 2.755 0 50 HFAA C[C@@H]1CCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95505965 GMZXMHVFZIRNRF-CYBMUJFWSA-N 400.928 2.767 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 229990590 FOLIWIHHCQEVHR-DRXUAVOGSA-N 413.854 2.684 0 50 HFAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OCC)c1 239046437 FRENXTLCNKOSTB-MWDDYTRKSA-N 401.415 2.501 0 50 HFAA Cc1ccccc1NC(=O)Cc1nc(COC(=O)C(C)(C)N2CCOCC2)cs1 252490225 KMPMJWKKIKPRBD-UHFFFAOYSA-N 417.531 2.787 0 50 HFAA COC(=O)c1cn(-c2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc2c(=O)[nH]nc1-2 253400101 DPYCSQASZAMTSC-UHFFFAOYSA-N 405.288 2.577 0 50 HFAA O=C(c1c[nH]nc1[C@H]1CCCN(C(=O)c2coc3ccccc23)C1)N1CCOCC1 328606351 REIOCEHIFNWHBL-HNNXBMFYSA-N 408.458 2.648 0 50 HFAA CC(C)[C@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2nc[nH]n2)no1 334162405 NGUXBPYTMGXVPX-ZDUSSCGKSA-N 421.255 2.510 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(C)nc2c1c(C)nn2C 409414925 ZIZCMPYIWLEDGL-AZUAARDMSA-N 413.566 2.938 0 50 HFAA biogenic CNc1ccc(Cl)cc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 824083087 PPSLGTMBRPJILJ-JCVMYPOKSA-N 410.949 2.679 0 50 HFAA C[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1nc(-c2ccccc2)no1 828269754 PLUCDJQNTPPZEZ-CYBMUJFWSA-N 405.414 2.674 0 50 HFAA CCOc1cc(CN2C[C@@H]3[C@H](CNC(C)=O)[C@H]4CC[C@]3(C2)O4)ccc1OC(C)C 1857714766 KWFMFQSHESMAMO-DZCCDHAISA-N 402.535 2.988 0 50 HFAA CN1CC=CC[C@H]1CC(=O)NCCNc1nc(-c2ccccn2)nc2sccc12 1875326761 UBNLVBZCDXAOOM-HNNXBMFYSA-N 408.531 2.932 0 50 HFAA Cn1c(CNC(=O)C2(C)CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O 2325742657 LTDQABYRLLFEBG-UHFFFAOYSA-N 404.514 2.852 0 50 HFAA CC(=O)N1C[C@H](C)c2ccc(S(=O)(=O)N3CCN(C)c4ccc(F)cc43)cc21 2325827178 YIGPHRWBPYGZJU-ZDUSSCGKSA-N 403.479 2.941 0 50 HFAA Cc1nc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2cc[nH]c2)cs1 2356168073 OIXDPVCLTCYEJB-YYTDSSBASA-N 422.554 2.786 0 50 HFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4504092 CSEFCIQHXUMLTM-QPRVAFDKSA-N 416.543 2.760 0 50 HFAA CCCO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 11953032 AAVFJEWXUPQYQA-NRFANRHFSA-N 418.534 2.734 0 50 HFAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1)[C@@H]1COc2ccccc2O1 12132498 OURPCUKCIMBORV-QRWLVFNGSA-N 407.401 2.542 0 50 HFAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@H](O)CN(C)C1CCCCC1 14981262 CHGHRFINSZUERU-HXUWFJFHSA-N 408.583 2.808 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2)CN1Cc1cc(Cl)ccc1O 14984777 FLWSMMNDNJZUQC-MSOLQXFVSA-N 420.868 2.660 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c(OC)c1 19774005 XKNQNPUZMXCURK-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)cc1Cl 19800282 PGUXUUWMTCJUHC-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA O=C(NCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 20166396 NTMIUMKDFSLBFN-UHFFFAOYSA-N 405.454 2.693 0 50 HFAA O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 61721669 UPJWLSQLOUBARH-UHFFFAOYSA-N 415.921 2.676 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 82167057 GHCLIIOAIDRXBV-NRFANRHFSA-N 412.578 2.981 0 50 HFAA O=C(COc1cccnc1)N1CCC2(CCN(C3CCCCC3)CC2)[C@H](CO)C1 97475599 MIHCXQPMMSTMSU-IBGZPJMESA-N 401.551 2.716 0 50 HFAA COc1ccc(C(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)c(C)c1 169776066 LAYPXQRNGQPIHX-UHFFFAOYSA-N 404.430 2.904 0 50 HFAA Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(O)cc1 170610508 CXPPRLSDVOQALN-UHFFFAOYSA-N 400.250 2.986 0 50 HFAA CC(C)(C)[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)csc2C1 239174308 PSXHFTHTVFDMEV-XPJRSKKXSA-N 402.516 2.706 0 50 HFAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239439186 ZNZUZQWLRHARIN-YFYRFGBOSA-N 415.873 2.898 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c(OC)c1 245247557 VUYOVEOINDEXSW-JTDSTZFVSA-N 424.375 2.808 0 50 HFAA Cc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)cc2)cc1 952970361 IFUWGKZQBKFVHA-UHFFFAOYSA-N 413.543 2.760 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3ccccc3N3CCOCC3)[C@@H](C)C2=O)c1 952982426 PBOBSJPRBLOPJF-IBGZPJMESA-N 407.514 2.705 0 50 HFAA NC(=O)[C@@H](c1cccc(Br)c1)N1CCc2c(sc3ncnc(N)c23)C1 1473346611 OMNVQSOGJYDFQN-CQSZACIVSA-N 418.320 2.621 0 50 HFAA CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 1775964986 PAESHJRWRROQJD-UHFFFAOYSA-N 410.503 2.844 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCn1ccnn1 1857721652 ZMELZFBMIGCUCR-CQSZACIVSA-N 402.886 2.886 0 50 HFAA CCN1CCCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 2325720756 XOJFQWKWQNYIGU-LEWJYISDSA-N 400.567 2.990 0 50 HFAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 671360 DBCGVVAQXCRNLH-UHFFFAOYSA-N 424.906 2.687 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 715649 ZQJHRAQOJSEOPH-UHFFFAOYSA-N 416.499 2.910 0 50 HFAA O=C(CSc1nnnn1-c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 1114062 FVKBAWNEGAYKKM-UHFFFAOYSA-N 414.922 2.757 0 50 HFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 2865331 BARQMDREFNVYIQ-OAHLLOKOSA-N 410.426 2.560 0 50 HFAA O=C(CSc1nnc(SCC(=O)NC2CCCC2)s1)NC1CCCC1 4838360 ULSRQAOZYRNVLW-UHFFFAOYSA-N 400.595 2.840 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)cc1 12196446 DWIIOEXBJGGIOL-SFHVURJKSA-N 420.513 2.712 0 50 HFAA COc1cc(C(=O)N[C@H](C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1 12431671 BJVKSHXJUPJAMX-MRXNPFEDSA-N 411.502 2.841 0 50 HFAA COc1ccc(Cc2nc3c4c(C)c(C)n(CCN5CCOCC5)c4ncn3n2)cc1 20573597 TXVLDRFMIFSIDQ-UHFFFAOYSA-N 420.517 2.627 0 50 HFAA COc1cc(-c2n[nH]cc2CN2CCN(Cc3cccnc3)CC2)cc(OC)c1OC 22914161 QPRCGDXLMPIMAH-UHFFFAOYSA-N 423.517 2.815 0 50 HFAA COc1ccc(F)c(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCSCC3)c2)c1 71712197 IXWOSXKCUDZMNT-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA CN(C)c1nc(N)nc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1 91943087 MSMAMDNCCJCDTP-UHFFFAOYSA-N 402.502 2.629 0 50 HFAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1 104548021 YPCUGQJLBKSGCM-HXUWFJFHSA-N 416.493 2.690 0 50 HFAA COC(=O)[C@](C)(NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(Cl)c(Cl)c1 170599516 HLGVXXUOTBFCEU-GOSISDBHSA-N 422.272 2.866 0 50 HFAA Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)OC[C@H]1CCCN1C(N)=O 170632454 IZKBPLRIUATBOR-OAHLLOKOSA-N 421.295 2.952 0 50 HFAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1 170690739 LWLUWIFGSNECBT-RTWAWAEBSA-N 409.596 2.653 0 50 HFAA Cc1nn(C(C)C)c(C)c1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 212500529 KGFBIMMBWPBAQZ-GOSISDBHSA-N 409.490 2.671 0 50 HFAA Cc1ccc(-c2nn3ccn(C[C@@H]4COc5ccccc5O4)c(=O)c3c2CO)cc1 263616401 ILSMIRDRJGFFFE-QGZVFWFLSA-N 403.438 2.804 0 50 HFAA COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1F 263618587 UMTDMMUYMDLDTD-UHFFFAOYSA-N 409.465 2.718 0 50 HFAA COc1cccc(C[C@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 299764409 SMIZHVLYILUQFW-DVECYGJZSA-N 424.497 2.623 0 50 HFAA O=C(NCc1ccco1)c1cccc(CNC(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 434273828 HUZKVLAUZHIJOD-OAQYLSRUSA-N 420.469 2.968 0 50 HFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc21 478766992 DEMBROQFWYONNK-JOCHJYFZSA-N 412.511 2.806 0 50 HFAA COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc2ccccc2n1 752292910 ZARNMAXHGMTLMH-TWLJRWAQSA-N 403.482 2.738 0 50 HFAA Cc1cc(C)c(Br)c(-c2nc(-c3cncc(S(N)(=O)=O)c3)no2)c1 820937884 UPRKDDVCKHOENL-UHFFFAOYSA-N 409.265 2.825 0 50 HFAA Cc1nn(C)c(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1Cl 1857696557 GSDGSZIDOCNWQP-HXUWFJFHSA-N 401.898 2.875 0 50 HFAA O=C(c1ncc[nH]1)N1CC[C@@]2(C1)C(=O)N(CCOc1ccccc1)c1ccccc12 2100478091 QNNQRDASVGQSKW-QHCPKHFHSA-N 402.454 2.619 0 50 HFAA COc1ccc(-c2cc(C)c(S(=O)(=O)NC[C@@H]3COCCO3)cc2C)cc1F 2356142876 LMRGWQSEPUZSML-MRXNPFEDSA-N 409.479 2.812 0 50 HFAA Cc1noc([C@H]2CCCCN2C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)n1 2356164498 VONAAEPUYQPOOC-OAHLLOKOSA-N 402.520 2.958 0 50 HFAA CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(N)=O)c1C 2095685 KRWHQQLOWPIRML-UHFFFAOYSA-N 422.459 2.610 0 50 HFAA CCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 3624501 OQQITEAAWXLNRZ-LJQANCHMSA-N 420.487 2.928 0 50 HFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 4877538 YNEVDAHDPGZONZ-KGLIPLIRSA-N 409.489 2.773 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 11954987 COYXBDKJOBMGAF-SFHVURJKSA-N 400.548 2.582 0 50 HFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCCC2CCCC2)c1 15072317 QYIZTMWOIQZIGM-QFIPXVFZSA-N 420.594 2.952 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 20568712 QANZQRUSYLJQTL-UHFFFAOYSA-N 408.502 2.527 0 50 HFAA Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 28958648 OJDLQNVQEAZKSL-UHFFFAOYSA-N 416.425 2.866 0 50 HFAA CCOc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)ccc1OC 39508438 LHWRSBXGDJMJRZ-JOCHJYFZSA-N 419.610 2.835 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCCc1ccccc1 55035891 DHDQVUCVCGTWOJ-MKGTUJQCSA-N 421.541 2.648 0 50 HFAA CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C=O)C[C@H]1C(=O)O 169725227 RPNMHFZDMDHTIO-AWEZNQCLSA-N 413.268 2.772 0 50 HFAA CCOC(=O)[C@H]1[C@@H]2C(=O)N([C@H](C)c3ccc(Br)cc3)C[C@@]23C=C[C@H]1O3 239173699 OLZRPHJNCWOXLH-YPFBOASTSA-N 406.276 2.855 0 50 HFAA COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1NC(=O)c1cccnc1 252486318 IIXPPTXFDAMZBZ-BIPCEHGGSA-N 407.426 2.804 0 50 HFAA CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 299776867 MOQDRGLCSCCGOC-QHCPKHFHSA-N 422.573 2.961 0 50 HFAA Cc1cc(=NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159228 NRZFJAUNXGCXHZ-LPHOPBHVSA-N 403.548 2.914 0 50 HFAA COC(=O)NCCCC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO 390832720 QANZLFQACDXTKL-LBPRGKRZSA-N 417.300 2.524 0 50 HFAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCN3CCCc4ccccc43)ccc21 670443546 YRXYCKZKZLCVKN-UHFFFAOYSA-N 419.529 2.593 0 50 HFAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@@H](C)c1nnc(N)s1 1506398535 DBFYBFVMXGDJAX-YFKPBYRVSA-N 423.398 2.735 0 50 HFAA Cc1ccc(C(=O)N2CCC(C3CCN([C@@H]4CCN(C)C4=O)CC3)CC2)c(F)c1 1857721226 GBOTVYPHLINKJU-OAQYLSRUSA-N 401.526 2.929 0 50 HFAA Cc1cc(C)cc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 2082941845 MPIMKGYFMUXLPS-INIZCTEOSA-N 410.495 2.608 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2870475 NMXWXUCQYDPRJX-CYBMUJFWSA-N 406.435 2.594 0 50 HFAA C[C@@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1cccc(-n2cnnc2)c1 55393661 AFBOUNDLBCCLRY-OAHLLOKOSA-N 404.474 2.997 0 50 HFAA CCc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 20512008 ANXHORQGJRMNBM-UHFFFAOYSA-N 415.559 2.527 0 50 HFAA O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@@H]2c1ccccc1F 137250569 LZWGFHDBBNFLBM-NRFANRHFSA-N 416.481 2.902 0 50 HFAA NC(=O)c1ccc(NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 263619387 YMSUDTBXLKHETR-UHFFFAOYSA-N 418.501 2.562 0 50 HFAA CCn1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c(=O)c2ccc(C)nc21 952984225 JBIWEQGGKVQTSV-HXUWFJFHSA-N 414.469 2.631 0 50 HFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)c1ccccc1N1CCOCC1 952977981 WNWRKNPXEULZCI-NRFANRHFSA-N 405.454 2.656 0 50 HFAA COc1cc(-c2onc(NC[C@@H]3CC4(CCNCC4)CO3)c2C(=O)O)ccc1F 1704306709 XVUGNSQDXOLNJL-ZDUSSCGKSA-N 405.426 2.758 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)cc1N1CCNC1=O 1772712887 TVBLAGPKDAEGNL-SQJMNOBHSA-N 418.541 2.819 0 50 HFAA CC1(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)CC1 1772710232 PHACYPHIXCZNHP-OAHLLOKOSA-N 403.910 2.554 0 50 HFAA Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CSc2ncccn2)C3)n1 11976383 CGDOXHAZYKBNGP-INIZCTEOSA-N 407.499 2.762 0 50 HFAA CCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OC 2303704 RNZHJCYICFDFLG-LDADJPATSA-N 408.483 2.948 0 50 HFAA CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 2830185 KRQVZNNWVAXUPA-UHFFFAOYSA-N 416.528 2.802 0 50 HFAA Cc1nn(C)c(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1Cl 1857696556 GSDGSZIDOCNWQP-FQEVSTJZSA-N 401.898 2.875 0 50 HFAA CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N1C2 1857740413 IDXSWCUSADHITE-VLQCVTHLSA-N 405.583 2.813 0 50 HFAA CC(C)CNC(=O)c1cn([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)nn1 12149196 DTLXHEPURBEJRN-KRWDZBQOSA-N 408.506 2.551 0 50 HFAA CCCc1ccc(N2C[C@H](C(=O)N3CCOCC4(CCOCC4)C3)CC2=O)cc1 784752975 FOUSKNWXOSGGQO-LJQANCHMSA-N 400.519 2.648 0 50 HFAA O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1cncc(-n2ccnc2)n1 1875362350 AZEQOOVOGNXSNU-UHFFFAOYSA-N 400.427 2.981 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)C1 2325889313 JXGQYVSFXSVRGU-INIZCTEOSA-N 418.925 2.749 0 50 HFAA CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)C(=O)O 2735889 VWMBWCXLFRQHFT-MBNTZHJCSA-N 410.451 2.708 0 50 HFAA CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC1=S 4458251 NXKPQAAKQWCIRC-LFIBNONCSA-N 411.483 2.790 0 50 HFAA O=C1CC[C@@H](C(=O)NC[C@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)N1 11786994 MCHYGMWZONEDFR-SJORKVTESA-N 420.387 2.951 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1 11963768 UBLIBZCGAOXKBX-QKKBWIMNSA-N 404.894 2.574 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2COC)n1CCc1ccccc1 12433240 DKEMHKAKPCIWGZ-IBGZPJMESA-N 405.564 2.920 0 50 HFAA CC(C)CC[C@@]1(C2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)NC(=O)NC1=O 14883914 HHCBSHKCUKTSFT-QHCPKHFHSA-N 423.517 2.739 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCO2 14948232 KJGNZEKFUWXIBI-UHFFFAOYSA-N 408.414 2.934 0 50 HFAA COc1ccccc1CCC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NC(C)C)nn2)CC1 244852642 UWFOESPYXOCFHK-HDICACEKSA-N 413.522 2.658 0 50 HFAA COc1ccc([C@@H]2NC(=O)N(Cc3ncc(C)c(OC)c3C)C3=C2C(=O)OC3)cc1 263615461 CNKSYYBQPHYNPR-IBGZPJMESA-N 409.442 2.793 0 50 HFAA CCO[C@H]1C[C@@](O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C 481110405 NRVFLAUSOZIHTJ-KBXCAEBGSA-N 413.305 2.870 0 50 HFAA Cc1ccccc1C1(CNC(=O)c2ccnc(N3CCN(C)CC3)c2)CCOCC1 486751860 ZCAXNMFEIYRFFF-UHFFFAOYSA-N 408.546 2.620 0 50 HFAA O=C(NC[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1)c1cn2ccccc2n1 828215567 XCKXEHPWXKHKOP-MRXNPFEDSA-N 404.474 2.959 0 50 HFAA Cc1cccc(N(CC(=O)Nc2ccccc2Cn2ccnc2C)S(C)(=O)=O)c1 952968016 JJNVBNOMSTZHTC-UHFFFAOYSA-N 412.515 2.953 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](OCc4ccccn4)C3)CC2)c1 1506430284 AKUBXJOCJZCBSD-HSZRJFAPSA-N 408.546 2.720 0 50 HFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704342005 BIKOOEIARLLXDX-HSZRJFAPSA-N 404.518 2.868 0 50 HFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1OC 2864395 VUPSQZZKERISRH-UHFFFAOYSA-N 404.488 2.765 0 50 HFAA CC(=O)Nc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 4649059 ZLDPEZBSLSJDPH-JOCHJYFZSA-N 420.513 2.531 0 50 HFAA CCN1C[C@@H](CN(C)C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC1=O 12091003 JTGGUUAKOOEXSV-GOSISDBHSA-N 417.513 2.856 0 50 HFAA O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2ccc(Cl)cc2)CC1 14240161 JGWPEVBXYULDID-UHFFFAOYSA-N 408.936 2.851 0 50 HFAA COc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1 14963721 RXWXOMFJRAEDCG-UHFFFAOYSA-N 400.523 2.919 0 50 HFAA O=C([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(c2ccccn2)CC1 16638205 HKEAMONBQCFPOT-OAHLLOKOSA-N 418.419 2.802 0 50 HFAA CCN(CC)CCN[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 19792558 ZBPQWCBGXQQWOP-LJQANCHMSA-N 403.615 2.954 0 50 HFAA Cc1cccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)cc3)n2)c1 20417623 HUQWCOUAEDVADQ-UHFFFAOYSA-N 414.849 2.623 0 50 HFAA COc1ccc(Cl)cc1CN1CCN(CC(=O)Nc2cccc3nonc23)CC1 22752341 VHQLNFSMXJBMRP-UHFFFAOYSA-N 415.881 2.641 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239165181 NQNYDNRDUOUPNV-JPRZGNOKSA-N 422.481 2.634 0 50 HFAA Cc1nc(N2CCN(S(=O)(=O)NC(C)C)CC2)c2c(CC(C)C)csc2n1 252503360 VCCYSHQLPRDQOK-UHFFFAOYSA-N 411.597 2.563 0 50 HFAA CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 390832719 NCDBSLCKDDCLLT-FZKQIMNGSA-N 421.494 2.517 0 50 HFAA O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccnn1-c1ccccc1 470984840 OEVQOYHUQFAJOU-MRXNPFEDSA-N 411.487 2.558 0 50 HFAA Cc1ccc(C(=O)N2CCC(NC(=O)CCc3nc(-c4ccco4)no3)CC2)cc1 589513137 ANMZIRQJLHYHSG-UHFFFAOYSA-N 408.458 2.992 0 50 HFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(-c2ccno2)s1 952966617 XMCJCFRTTISYIU-CYBMUJFWSA-N 409.533 2.815 0 50 HFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CO)C1 1772810444 GRJOUBXXOLKFDN-XOBRGWDASA-N 416.934 2.844 0 50 HFAA Cn1nc(O)c2c1CN(C(=O)NCc1ccc(Cn3cnc4ccccc43)cc1)CC2 1875309701 JKYKBQRVUGJPTJ-UHFFFAOYSA-N 416.485 2.792 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 659677 UJANDSKQXFRCPC-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA Cc1cc(Br)ccc1OCC(=O)NC(=S)Nc1ccccc1C(N)=O 675541 DFAQOPNLAONAAS-UHFFFAOYSA-N 422.304 2.748 0 50 HFAA N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1ccc2c(c1)OCO2 780167 WFRCAMGEBHKJFW-FQEVSTJZSA-N 408.502 2.870 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 1049381 DYAJBXDRJOZDOA-OAHLLOKOSA-N 404.488 2.965 0 50 HFAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 2939834 XHMYWUIKNLBKSP-UHFFFAOYSA-N 424.906 2.504 0 50 HFAA COC1CCN(c2nc(CN3CCC[C@H](C(N)=O)C3)nc3ccc(Cl)cc23)CC1 11982404 DLOLCFHOLBVNPB-AWEZNQCLSA-N 417.941 2.596 0 50 HFAA COC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccc(OC(F)(F)F)cc3)C2=O)cc1 12469072 ANOKVKLNJXKYDP-INIZCTEOSA-N 422.359 2.794 0 50 HFAA CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 13619333 BVIDHBPRRBKQKA-HXUWFJFHSA-N 423.513 2.884 0 50 HFAA O=C1CN(Cc2nccs2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 14531857 JMDHNWCMKLXFKY-HXUWFJFHSA-N 408.527 2.968 0 50 HFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CC3)C2)c1 14535154 AIQIHCHTYPOXCR-QHCPKHFHSA-N 422.525 2.904 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1CCCc1ccccc1 15073788 NLUSHQDAXBRLLI-IBGZPJMESA-N 405.564 2.656 0 50 HFAA O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 40285180 UBLDRHZJVZAXHF-HNNXBMFYSA-N 418.423 2.718 0 50 HFAA Cc1nc(CC(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cs1 55107954 KKQZQJZLMYLYJK-GOSISDBHSA-N 402.539 2.946 0 50 HFAA COc1ccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c(OC)c1 169780217 NJKRLGFZJJOGDV-UHFFFAOYSA-N 424.461 2.700 0 50 HFAA C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245284449 RWARBODJXCZBDL-DUWDSTPHSA-N 412.486 2.544 0 50 HFAA CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252346810 FBOFDJFMOZCIEN-WHLIWEHUSA-N 407.514 2.655 0 50 HFAA biogenic O=S(=O)(Nc1cnc2c(n1)CCCC2)c1ccc(Cl)cc1Br 328593955 DNYATFOPBYOGDJ-UHFFFAOYSA-N 402.701 3.572 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NC1CCN(C(=O)N4CCCC4)CC1)(C3)C2 1506419028 XMPIAIBWSVPECR-FJTGNWTPSA-N 403.567 2.894 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C3CCN(C(=O)c4ccncc4)CC3)C1)CC2 1704325674 LIHASICEKKQFGW-XMMPIXPASA-N 420.561 2.522 0 50 HFAA CNC(=O)[C@@]1(CC=C(C)C)C[C@H]2CC[C@@H]1N2C(=O)c1sc2[nH]cnc(=O)c2c1C 1704335923 IIZBSTLCJMVSRE-YPENRWOSSA-N 414.531 2.759 0 50 HFAA Cn1nc(C(F)(F)F)cc1-c1nc(C2CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1857680549 KRIAFRSXORIJLZ-LLVKDONJSA-N 403.430 2.715 0 50 HFAA CC(C)Cc1nc(=NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)s[nH]1 1875354374 FUXUYOGBQCYANY-OAHLLOKOSA-N 423.564 2.597 0 50 HFAA Cc1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)[nH]1 2356146271 ZAYAYBGLELKXMH-SEONNTABSA-N 410.493 2.942 0 50 HFAA CCOc1ccc(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OCC 718921 LJGSFTUUWDNGJE-UHFFFAOYSA-N 410.470 2.829 0 50 HFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)CC(=O)O)CC2)cc1 6731117 ZMKUGLOVVUPMOZ-JKSUJKDBSA-N 410.536 2.534 0 50 HFAA Cc1nnc(SCc2cc(=O)[nH]c(N3CCN(c4ccccc4F)CC3)n2)s1 9087853 HMIQJZHYMZTKFK-UHFFFAOYSA-N 418.523 2.688 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697516 DHCNTFWZXDPQIF-UHFFFAOYSA-N 404.474 2.515 0 50 HFAA COc1cccc2c1OCCCN(C(=O)[C@H]1CCC(=O)N(Cc3ccccn3)C1)C2 12308338 CUVAODYXZJQOQF-SFHVURJKSA-N 409.486 2.640 0 50 HFAA Cc1c([C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cnn1-c1ccccn1 12448452 ZOYJOUQLIKXRFC-OAHLLOKOSA-N 402.458 2.553 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCCc1cccnc1)CC2 14733110 ICWPBRCONOAZEW-HXUWFJFHSA-N 403.530 2.777 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccc[n+]([O-])c3)cc2)n1 15071374 GRZFPMVFIQAMEZ-NRFANRHFSA-N 419.485 2.756 0 50 HFAA Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c(C)o1 19799189 FXRYVFPSSUFLFQ-UHFFFAOYSA-N 415.444 2.754 0 50 HFAA COc1ccc2cc(CNCc3n[nH]c(=O)[nH]3)c(-c3ccc(OC)c(OC)c3)nc2c1 20406713 PZDAIRGCLAJATI-UHFFFAOYSA-N 421.457 2.629 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc(OC)c(COC)c3)C2)CC1 20600574 YXUCNTVWBFPXCK-HXUWFJFHSA-N 405.539 2.580 0 50 HFAA CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)OCC)CC1)n2C 20725116 NHZUNYXEWYQJOM-UHFFFAOYSA-N 401.511 2.976 0 50 HFAA CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1 33271342 OWFHFFPYNUIPLL-INIZCTEOSA-N 403.446 2.881 0 50 HFAA CC[C@H](O)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72411278 JRDZPXSHBOMTLY-KRWDZBQOSA-N 412.465 2.769 0 50 HFAA CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1c(OCC)cccc12 169398143 BLQZOBZQCXZEKS-FTRWYGJKSA-N 408.520 2.641 0 50 HFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCCCC2)cc(=O)c1O 217616648 KMBFAEPGJWDSGH-MRXNPFEDSA-N 417.458 2.741 0 50 HFAA biogenic O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 252505124 VOUVGFKBAAMEFK-QGZVFWFLSA-N 422.934 2.603 0 50 HFAA C[C@@H]1[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 253431308 PEQMJYUIJFBMBN-CJNGLKHVSA-N 407.392 2.942 0 50 HFAA O[C@H](COc1cccc(CN[C@H]2CC[C@H](O)CC2)c1)CN1CCc2ccccc2C1 257372177 AFDUEMCVGTXIPA-HJOGWXRNSA-N 410.558 2.878 0 50 HFAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2cc(F)c(F)c(F)c2)cc1 263587407 GPJDEKGIWUBNAU-CYBMUJFWSA-N 405.376 2.727 0 50 HFAA COc1ccc(S(=O)(=O)N2CCCN(Cc3nc4ccccc4o3)CC2)cc1 483529236 IFWWIRNFIGXZTA-UHFFFAOYSA-N 401.488 2.733 0 50 HFAA Cc1cnccc1N1CCCN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC1 952985497 FAFUFBISAZKODX-UHFFFAOYSA-N 423.496 2.702 0 50 HFAA O=C(Cc1ccn(CC(F)(F)F)n1)NC[C@@H](O)c1ccccc1Br 1468988475 YKJFYDFXLUUYJA-CYBMUJFWSA-N 406.202 2.600 0 50 HFAA O=C(CCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1)Nc1nncs1 1616103640 KIGYTUGYHLKCLY-MSOLQXFVSA-N 410.499 2.787 0 50 HFAA COc1ccccc1CN1CCC2(CC1)OCC[C@@](C)(NC(=O)CC(C)C)[C@@H]2O 1772708468 CWGUSKLKVDMSQE-FCHUYYIVSA-N 404.551 2.732 0 50 HFAA Cn1cc(S(=O)(=O)NC(=O)c2ccc(-c3cscn3)cc2)c(C(F)(F)F)n1 1875255116 BTWIVWWXRYQYKD-UHFFFAOYSA-N 416.406 2.681 0 50 HFAA CN(Cc1ccc(F)cc1F)C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350676 WVNWIBHBYXAGBW-UHFFFAOYSA-N 411.368 2.639 0 50 HFAA Cn1ccnc1-c1ccc(N2CC[C@]3(C2)C(=O)N(CC2CC2)c2ccccc23)nn1 2100484012 ZBIUTQOCMWTTJN-HSZRJFAPSA-N 400.486 2.782 0 50 HFAA COc1cc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc(OC)c1 2356134340 JPGCWRRYDISRGB-YDHSSHFGSA-N 402.535 2.964 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1C 4413926 QFHVHVWVLFHSEM-UHFFFAOYSA-N 417.531 2.506 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 5274332 PUXLBDJEKFGDNT-HNNXBMFYSA-N 406.442 2.846 0 50 HFAA CC[C@H](C)CN1CCc2c(C(=O)OC)c(OCCc3ccccn3)cc(=O)n2CC1 12051900 RBLSFYIADSMERI-KRWDZBQOSA-N 413.518 2.556 0 50 HFAA COc1cc(F)ccc1CN1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 12386122 PVLOVPUTCSBWCR-INIZCTEOSA-N 402.470 2.843 0 50 HFAA Cc1nc(CN(C)C(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)cs1 13545268 FBFJMNSYFRUDIO-UHFFFAOYSA-N 423.560 2.527 0 50 HFAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CC(=O)N(Cc2cccnc2)C[C@H](O)C1 14541645 QRQUANSBYCJWCD-DNVCBOLYSA-N 407.436 2.737 0 50 HFAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 15065929 JLRWEZLUFZEZRD-MRXNPFEDSA-N 408.424 2.836 0 50 HFAA COc1cc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1 19957303 KGMGHWUGOJXSDO-UHFFFAOYSA-N 415.515 2.947 0 50 HFAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1 54147046 UHNUMVMPDKNPFZ-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA O=C1CCC2(CCN(C(=O)c3ccn(C(F)F)n3)CC2)CN1Cc1ccccn1 91745333 JKYVEQYBZGBPDN-UHFFFAOYSA-N 403.433 2.718 0 50 HFAA CCNC(=O)c1cccc(NC(=O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 170651039 MTTUJAIRHOYORN-JMGYQRAPSA-N 401.532 2.805 0 50 HFAA C[C@@H](NC(=O)CCN1C(=O)C[C@](C)(c2ccccc2)C1=O)c1nc2ccccc2n1C 223239556 RMCSAUHZZJMGGX-VOIUYBSRSA-N 418.497 2.857 0 50 HFAA C[C@@H](NC(=O)CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C 252497332 QDYOUUWZYRYOQN-PBHICJAKSA-N 405.458 2.860 0 50 HFAA CCOc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1 253433511 XSHSPBAZJFDNFO-UHFFFAOYSA-N 401.444 2.629 0 50 HFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCC(=O)NCc1ccc(F)cc1 763833248 IFLCCLZMDQKIHM-UHFFFAOYSA-N 401.360 2.603 0 50 HFAA Cc1ccccc1N1CC[C@H](CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1 827758196 SUHWOSVKCHOOEA-LJQANCHMSA-N 406.530 2.885 0 50 HFAA C=CC(=O)N(C)CC(=O)Nc1ccc(Br)c(I)c1 1443118354 JADWFLIQYGYZSW-UHFFFAOYSA-N 423.048 2.637 0 50 HFAA CC[C@H](CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)O)N1CCN(C)CC1 1704306573 OXORTYWVKNHDPP-CQSZACIVSA-N 406.458 2.625 0 50 HFAA O=C(c1cccn1C1CC1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857718856 WMCLHOTXQDVKCE-GOTSBHOMSA-N 409.530 2.862 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3[C@@H](C(=O)OCC)[C@@H](C)C=C[C@H]3C2)c1C 1857720439 URORGAWVQGUXGA-STECZYCISA-N 402.491 2.882 0 50 HFAA CC(C)c1nnc(N2C[C@H](C(=O)NCC3CCN(C4CCCC4)CC3)CC2=O)s1 1857739864 WNSOZAYLCWWJSI-MRXNPFEDSA-N 419.595 2.785 0 50 HFAA COc1ccc(CNC(=O)/C=C(/C)On2nnc3cccnc32)c(C(F)(F)F)c1 1875326595 FWZMTRHCVQUCQH-FLIBITNWSA-N 407.352 2.503 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2-c2ccccc2OC)cc1OC 2100557175 XRFMCWUBVSBAJK-RTWAWAEBSA-N 424.457 2.530 0 50 HFAA CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 2883437 ZYFFIGCOPUFPJX-UHFFFAOYSA-N 410.879 2.776 0 50 HFAA NC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(O)c(Br)c1 5063482 KXIXMOFFRYRLFW-OAHLLOKOSA-N 404.289 2.570 0 50 HFAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccs3)C2)c1 9410681 JKNHIEAHHYORFM-OAHLLOKOSA-N 421.500 2.662 0 50 HFAA COCCN1CCC(CN(Cc2ccncc2)Cc2cnc(SC)nc2)CC1 11821850 KJRRKQUQAPWTES-UHFFFAOYSA-N 401.580 2.954 0 50 HFAA CN(C(=O)Cn1c(=O)oc2ccccc21)[C@H]1CCCN(C2Cc3ccccc3C2)C1 11933234 HZQPILCBMSMGPI-IBGZPJMESA-N 405.498 2.685 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CSc2ccccc2)CC1)[C@@H]1CCOC1 12715935 JGHRESVUNPFSCU-MRXNPFEDSA-N 414.531 2.814 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3cc(C)ccc3C)C[C@H]2C(=O)NCC)CC1 19836946 QVGBQBPLHGXINY-GMAHTHKFSA-N 400.611 2.846 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)N2CCN(C)C[C@@H]2C(C)C)o1 23144720 OSDHSXVDHYBJNO-GOSISDBHSA-N 400.523 2.595 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)on1 82161515 ILIIENABNJGHAX-HXUWFJFHSA-N 411.550 2.713 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cc(C(C)=O)cn1C)C2 95374631 UXUNZBWVZRZIGT-XPNTWCBSSA-N 403.567 2.567 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2ccc3[nH]ccc3c2)N=C1O 252571466 XXVSOLCOJKYLKY-GOSISDBHSA-N 406.442 2.873 0 50 HFAA Cc1nnc(-c2ccccc2-c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)o1 478630708 GGAKWGXSTZBGAL-OAQYLSRUSA-N 416.397 2.817 0 50 HFAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCSc3cnn[nH]3)CC2)cc1 670474378 SEKYGYLQUTVYFY-UHFFFAOYSA-N 415.563 2.863 0 50 HFAA O=C(NC1(c2cccc(F)c2)CCOCC1)C1CCN(C(=O)c2cccnc2)CC1 742886233 RJGMDNPTDDTPHA-UHFFFAOYSA-N 411.477 2.895 0 50 HFAA CN1C(=O)CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)c2ccccc21 745985762 VGCWMOYKVOZANW-UHFFFAOYSA-N 400.389 2.637 0 50 HFAA COc1nc2ccccc2nc1CCC(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 824852892 SBRHZYDAQZGKOA-OAHLLOKOSA-N 408.458 2.585 0 50 HFAA CCc1ccccc1C(=O)N1C[C@H]2CN(C(=O)NC(C)C)C[C@]2(CCC(=O)O)C1 1772808620 WISZHIGWIIWQQF-JTSKRJEESA-N 401.507 2.606 0 50 HFAA COc1ccc(F)c(F)c1CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857713711 DZIBZSPYDUAJOF-ICSRJNTNSA-N 402.441 2.975 0 50 HFAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)C[C@H]21 1857737645 WRMUMRQQMDXVAC-CVGURMSBSA-N 403.866 2.575 0 50 HFAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)C 1875255062 XGKFZQMEXMDXHF-OALUTQOASA-N 405.539 2.947 0 50 HFAA CN(C(=O)CCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ccccc1 1875261569 RWFRJAHVYFOBHT-KRWDZBQOSA-N 403.276 2.922 0 50 HFAA COC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1C)C(=O)N1CCOCC1 1875324587 DXKARFPNQJLWMD-FQEVSTJZSA-N 413.474 2.783 0 50 HFAA O=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(Br)c1)CN=2 1134110 OKKYKJBTDNAXPS-ZSOIEALJSA-N 406.330 2.617 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 1151311 CNHWZKNPOKEQAC-CQSZACIVSA-N 420.487 2.583 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)CC1 2805051 CCUZBYNXPPJLEO-UHFFFAOYSA-N 412.515 2.695 0 50 HFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@H]1CNC(=O)C1 11878504 BYYGCLARORRISI-QGZVFWFLSA-N 411.468 2.554 0 50 HFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2cncn2)CC1 11879128 BDRSMCJPAXTWEY-QFIPXVFZSA-N 411.550 2.506 0 50 HFAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)c1 11996363 SWIBBGLRJSUUJA-INIZCTEOSA-N 423.492 2.975 0 50 HFAA CCOc1ccccc1-n1nnc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1C 12274085 MXXRKHWAZDPWAU-UHFFFAOYSA-N 420.517 2.979 0 50 HFAA O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)CC1 12320200 YGYXRYDLRHGKKW-FQEVSTJZSA-N 405.498 2.942 0 50 HFAA O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 12431929 SAJDYZMZULXQQG-XMMPIXPASA-N 419.569 2.901 0 50 HFAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)s2)CC3)cc1 15001164 HTFFRVSQIAOGBI-UHFFFAOYSA-N 409.559 2.987 0 50 HFAA CC[C@H](COC)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O 15003275 GUFUTMHECMNCQO-OAHLLOKOSA-N 403.523 2.791 0 50 HFAA COc1ccc(CNCCCC2CCCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20208105 IWHPPFALAUJSMY-QFIPXVFZSA-N 419.610 2.742 0 50 HFAA Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1cc3ccccc3[nH]1)C2 20781720 JOSRRMUEWPZIKQ-UHFFFAOYSA-N 400.486 2.785 0 50 HFAA Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5sccc5C)C4)no3)cc2c(=O)[nH]1 169770723 FZJUEGMNOUERPG-CYBMUJFWSA-N 424.486 2.771 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 238997283 ADDPCWMDRBWVFT-DEGRCIOYSA-N 413.857 2.509 0 50 HFAA C[C@@H]1CCCCN1C[C@H](O)COc1ccc(OC[C@H](O)CN2CCCC[C@H]2C)cc1 239412536 SUXCVKYOWFEMAD-YSFYHYPLSA-N 420.594 2.915 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)CC(C)(C)C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 299760183 HQGVFMCODYDUHR-VGSWGCGISA-N 407.555 2.931 0 50 HFAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 328592112 UXJMDXRTXBNUSI-KFWWJZLASA-N 406.429 2.863 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)n2)c1 426424210 HPNAMDNWOXBYPO-OAQYLSRUSA-N 414.462 2.559 0 50 HFAA Cn1nccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 475832869 QRFRITIYQKULPR-UHFFFAOYSA-N 400.176 2.882 0 50 HFAA Cc1nnc(-c2ccccc2-c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)o1 478630704 GGAKWGXSTZBGAL-NRFANRHFSA-N 416.397 2.817 0 50 HFAA Cc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)ccc1NC(=O)C(C)(C)C 952969825 PCNMBXCKFUXHSZ-UHFFFAOYSA-N 410.522 2.530 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3ccccc3N3CCOCC3)[C@H](C)C2=O)c1 952982432 PBOBSJPRBLOPJF-LJQANCHMSA-N 407.514 2.705 0 50 HFAA O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3cc(Cl)ccc3F)C[C@]2(CO)C1 1772806593 HNYUGAQXMWHWRD-PGRDOPGGSA-N 417.912 2.760 0 50 HFAA COc1ccccc1Cc1nc(-c2c3c(nn2C)CCCC3)n(-c2ccnn2C)n1 1772806724 JMWLPPPAPZQQIC-UHFFFAOYSA-N 403.490 2.880 0 50 HFAA O=C(c1nccc2ccccc12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857720467 VZJUVARRJHUKOU-GMAHTHKFSA-N 418.497 2.544 0 50 HFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875251354 ARTXJMAZWCPLPO-OALUTQOASA-N 401.850 2.752 0 50 HFAA Cc1cc(NC(=O)[C@H]2CC[C@@H]3NC(=O)CO[C@H]3C2)n(Cc2cccc(Cl)c2)n1 2100534500 LAKGVODARUODIE-XIRDDKMYSA-N 402.882 2.515 0 50 HFAA Cc1cc(C)n2nc(CC(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc2n1 2325717500 LZTDFPOKRJANNM-IAOVAPTHSA-N 402.495 2.831 0 50 HFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(c3cc(F)ccc3F)CC2)OCC(=O)N1C 2356151936 HZHVCFVXSQWLCA-UXHICEINSA-N 400.425 2.977 0 50 HFAA CCN(CCO)c1ccc(-n2c(N)c(C(=O)OC)c3nc4ccccc4nc32)cc1 636193 VKTAJKWBQUDFIB-UHFFFAOYSA-N 405.458 2.761 0 50 HFAA COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)O)n1 4294574 CRTONYYTUQIFLW-UHFFFAOYSA-N 404.366 2.810 0 50 HFAA O=S(=O)(NCCCCCCNS(=O)(=O)c1cccs1)c1cccs1 5041320 RDUSFNFTWMXPBE-UHFFFAOYSA-N 408.592 2.627 0 50 HFAA COC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2cccnc2)n1C 6698435 JXTRZMHWQQYBRO-UHFFFAOYSA-N 403.489 2.764 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)c1C 11937564 UZTRXWXTYVYGIC-LJQANCHMSA-N 412.534 2.982 0 50 HFAA COc1cccc(CCNc2ncnc3sc(C(=O)N[C@H](C)CO)c(C)c23)c1 12040163 ZAPPZZYIISTRMV-GFCCVEGCSA-N 400.504 2.774 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1CCc1ccccc1 12439906 PFFDYZBKAVSPBJ-UHFFFAOYSA-N 405.564 2.512 0 50 HFAA Cc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 16622316 DOMQMPKOPLJTDE-UHFFFAOYSA-N 424.906 2.687 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3cccc(C)c3)C[C@H]2C(=O)NC(C)C)CC1 23361712 BNOYUMFSLYXZBZ-GMAHTHKFSA-N 400.611 2.927 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)c1 72117506 OVAYONZUMLGJHC-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1 206242302 SFAZVODXQLZLAY-HXUWFJFHSA-N 418.453 2.735 0 50 HFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1coc(CN2CCOCC2)c1 1506397906 ZWUDCJJIGFPKEJ-UHFFFAOYSA-N 411.462 2.546 0 50 HFAA Cc1csc(CCNC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)n1 1776111375 RQLJOAQXNDTBID-UHFFFAOYSA-N 408.545 2.933 0 50 HFAA Cc1ccn2c(=O)c(C(=O)N[C@@H]3C[C@@H](CNC(=O)OC(C)(C)C)C3(C)C)cnc2c1 1875351879 MJJUIPLLQNXJRT-GOEBONIOSA-N 414.506 2.672 0 50 HFAA COC(=O)C1(NC(=O)COC(=O)c2ccc(N3CC[C@H](C)C3)cc2)CCCCC1 2325827147 WWWVUVCVCFMHJV-INIZCTEOSA-N 402.491 2.682 0 50 HFAA COc1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)c(OC)c1 6396651 VOOIYZWVVKKMMC-RZNTYIFUSA-N 418.272 2.632 0 50 HFAA C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 6710086 ZGUMOTWQQHWILU-MRXNPFEDSA-N 421.950 2.843 0 50 HFAA Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc5cccnc45)CC3)O2)n1 11871219 PHKCQXKERNLLIE-FQEVSTJZSA-N 419.529 2.912 0 50 HFAA COc1ccc(CNCC2(C)COC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12197731 IJSONEDMCSIGNP-HXUWFJFHSA-N 406.567 2.827 0 50 HFAA COC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 12372821 JGGLOWBIEYVCKX-GOSISDBHSA-N 422.909 2.897 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC1 12430249 UUCWEHMMPWGLDL-UHFFFAOYSA-N 419.485 2.830 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)CC1 12758847 UDLXBQIZKVQXBN-UHFFFAOYSA-N 410.396 2.761 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccnc1)CC2 14731480 JAVIKGDFZNGIIB-UHFFFAOYSA-N 422.529 2.570 0 50 HFAA Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14747687 OAOFANQWTQZQSX-FQEVSTJZSA-N 410.518 2.623 0 50 HFAA COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@@H]2CCNCc2ccc(F)cc2)c1 14879590 MNZSNZZTGRBAQX-UXHICEINSA-N 416.493 2.745 0 50 HFAA CC(=O)N1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 15006596 LPYVZEOVCMAWLV-UHFFFAOYSA-N 422.514 2.573 0 50 HFAA COc1ccc(Cl)cc1C(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924108 LLZLIVVMFQNAKS-UHFFFAOYSA-N 400.870 2.783 0 50 HFAA CCCCOC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccc4c(c3)OCO4)C2=O)cc1 20189998 FYKGBTQSEYXJRN-SFHVURJKSA-N 424.453 2.794 0 50 HFAA CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 21726268 LLTLHGDPYDLCDO-OAHLLOKOSA-N 403.446 2.800 0 50 HFAA CNC(=O)[C@@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67785875 ICTPQQOVRGQYRS-OAHLLOKOSA-N 409.442 2.624 0 50 HFAA O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772832 MDAZVCAUDMIJJA-CQSZACIVSA-N 402.458 2.541 0 50 HFAA COC(=O)c1ccc(CN2CCN(C(=O)CSc3ccccc3)CCC2=O)cc1 299799328 ROLMUQSBMHVLKB-UHFFFAOYSA-N 412.511 2.826 0 50 HFAA COc1ccc(F)cc1CC(=O)N1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1 328607149 UVGWLSVQRFTVLS-SFHVURJKSA-N 416.497 2.642 0 50 HFAA Cc1cc([C@H]2CCCN2CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)no1 748538619 CFFKVIWCSHMZHR-LJQANCHMSA-N 414.531 2.948 0 50 HFAA COC(=O)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1 767062624 XPNMFQJFTMCEOU-SFHVURJKSA-N 406.847 2.838 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)cc2)CC1 952872482 QMCSJLBOSWMJGK-QGZVFWFLSA-N 408.502 2.542 0 50 HFAA CCn1nc(-c2nc(-c3c[nH]c4ccccc34)nn2[C@H]2CCS(=O)(=O)C2)cc1C 1857677192 ZBAFUCYUWDDXBN-AWEZNQCLSA-N 410.503 2.978 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnc(C)c(C)c2)C1 1857703432 LXKJBYAECRHDDQ-AOHZBQACSA-N 414.594 2.528 0 50 HFAA COc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)ccc1C 1857710232 MYSSGLDTGXSIJJ-VXKWHMMOSA-N 412.534 2.805 0 50 HFAA O=C(CN1CCc2ccccc2C1)N[C@H]1CCCC12CCN(Cc1ncc[nH]1)CC2 1875244155 AZUNDRIAVMLSCJ-NRFANRHFSA-N 407.562 2.719 0 50 HFAA CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 789568 CYFYNPPBOZZSBX-UHFFFAOYSA-N 416.499 2.903 0 50 HFAA C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)NCc1ccccc1 1424232 LHADCNILPVQELE-MRXNPFEDSA-N 408.527 2.865 0 50 HFAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 4580796 FSCVDPOZJLMSOL-PXNSSMCTSA-N 406.465 2.622 0 50 HFAA CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1=O 9426667 SHYZHBRWBUSMEG-MRXNPFEDSA-N 423.469 2.906 0 50 HFAA Cc1ccc(F)cc1CNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12057682 UFYDRJRVMXDCKE-GOSISDBHSA-N 401.526 2.863 0 50 HFAA COC[C@H]1CCCCN1C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12718025 INGBOXKRIGNXQJ-MRXNPFEDSA-N 403.479 2.638 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 14541088 UOWLCUITRYTDKO-KRWDZBQOSA-N 402.539 2.878 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccncc1)CC2 14751214 GGXWTGUNRDHGTH-UHFFFAOYSA-N 404.514 2.868 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(F)ccc3-n3cccn3)C2)CC1 20363515 NCRSEOPRTDDGBB-HXUWFJFHSA-N 415.513 2.750 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@H]2CCO)cc1 36385636 QUGWVBLHJWELDV-OAQYLSRUSA-N 421.545 2.735 0 50 HFAA COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 38239529 HNIFCPBQMKPRCX-UHFFFAOYSA-N 419.844 2.877 0 50 HFAA in-vitro Cn1cc(CN2CCC[C@H](C(=O)c3nccn3C)C2)c(-c2ccc3c(c2)OCCO3)n1 55255106 MZOVYAIGCNLKLC-KRWDZBQOSA-N 421.501 2.687 0 50 HFAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N(C)C[C@H](C)O)nc2c1=O 72474540 VRUJAEDWTKXHRJ-AWEZNQCLSA-N 412.490 2.792 0 50 HFAA Cc1nc2cc(OCc3nc(C(=O)N4CCC[C@H](C(N)=O)C4)co3)ccc2s1 91445233 OWWUTIWVKABXNN-LBPRGKRZSA-N 400.460 2.509 0 50 HFAA CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 115875590 BIEXDVVZCIJGBL-RBUKOAKNSA-N 421.497 2.959 0 50 HFAA CCOC(=O)N1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 170605308 OFRAZYGZDQWEFK-UHFFFAOYSA-N 413.268 2.571 0 50 HFAA C[C@H](C(=O)NCCc1csc(NC(=O)[C@H](C)C2CCOCC2)n1)C1CCOCC1 170615897 ABLHRZBITVNRMJ-LSDHHAIUSA-N 423.579 2.866 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC 238881577 AVZHFFQLDMDZCV-JTDSTZFVSA-N 424.375 2.808 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 253431678 STGSMKLAKTWIFK-DYVFJYSZSA-N 403.276 2.916 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(OC)c(OC)c4)c3CO2)cc1 263615305 BRRKSRCRAFZLMD-IBGZPJMESA-N 410.430 2.828 0 50 HFAA COc1ccc([C@@H](CC(=O)NCc2c[nH]nc2C)c2cc3c(cc2O)OCO3)cc1 824654422 IXLJBUHBZXWGSV-QGZVFWFLSA-N 409.442 2.999 0 50 HFAA biogenic O=C(c1ccccc1N1CCOCC1)N1CCC(c2nnc3n2CCCCC3)CC1 952971668 UYVLNUQYPQAIAQ-UHFFFAOYSA-N 409.534 2.861 0 50 HFAA CCc1ccc(CN2C[C@@H]3CN(c4nc(C(=O)O)co4)C[C@@]3(CCC(=O)O)C2)s1 1772807762 ABIGRMBTXNWZSN-ZUOKHONESA-N 419.503 2.800 0 50 HFAA O[C@@H]1CN(CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@H]1Cc1ccccn1 1875246478 IYODJZFOKKSUJG-AUSIDOKSSA-N 414.981 2.783 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)C1 1875371678 IQXJNOQPGBSZTA-LSDHHAIUSA-N 403.910 2.673 0 50 HFAA CCCc1nc(CN(CC)C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)no1 1940194975 GIPKWVIBAFYOPD-UHFFFAOYSA-N 410.474 2.962 0 50 HFAA O=C(N=c1ccc(-c2ccccc2)n[nH]1)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 2325750260 USLULOFQHAIHHI-IBGZPJMESA-N 415.497 2.778 0 50 HFAA COCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 2967156 XAPICUROBPEPBN-UHFFFAOYSA-N 417.314 2.951 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(COC)o2)CC1 12300874 SQSSITGODUVPED-SFHVURJKSA-N 405.539 2.659 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 12444778 GAPCUMVKCCCBJZ-QGZVFWFLSA-N 408.502 2.979 0 50 HFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)C2CCCCC2)c1 12455586 RTEWLXLGZFCDIX-OAQYLSRUSA-N 406.567 2.656 0 50 HFAA COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(CC(C)(C)C)CC2)C1=O 14731388 DWQKSXUIUQWHPR-UHFFFAOYSA-N 415.534 2.547 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 15066259 DGUAABMZWHHOLR-DEOSSOPVSA-N 413.521 2.814 0 50 HFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN([C@@H]1CCSC1)CC2 20203612 HRNBKRUDRKWQCH-LJQANCHMSA-N 417.575 2.827 0 50 HFAA CCn1c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)nc2ccccc21 20540103 CGNZKUQHLWLBBW-NRFANRHFSA-N 413.610 2.798 0 50 HFAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)F)cc1 20606948 NYWGZRGGTYMDPD-UHFFFAOYSA-N 411.368 2.822 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 71499066 XZLZFSKYPUFKLU-QGZVFWFLSA-N 407.445 2.964 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)c1 169777088 JIONWVNQUUSJQL-UHFFFAOYSA-N 408.483 2.592 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239046903 FYZPPMGIDXBSOF-OTKZEJEDSA-N 407.466 2.551 0 50 HFAA COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)ncc(C(=O)OC)c1O 252499071 RVCQLZOFWYPZMC-LLVKDONJSA-N 415.320 2.873 0 50 HFAA O=C(N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 334157989 FWTJGACGHVZIJG-CQSZACIVSA-N 416.890 2.632 0 50 HFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CNC(=O)c4ccnnc4)C3)c2)n1 952968149 OGFPENXJHWZDRM-HXUWFJFHSA-N 404.518 2.921 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2C)C[C@H]2CCCO2)cc1 1506409887 APHHOBQJHJHBRP-LJQANCHMSA-N 402.516 2.725 0 50 HFAA Cc1sc2ccccc2c1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 1857721728 CUEPEYFUWKAIRC-UHFFFAOYSA-N 407.561 2.698 0 50 HFAA CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)NC(=O)CN2C 2325708747 UYLCNMKFHHYQKH-KDOFPFPSSA-N 418.563 2.531 0 50 HFAA NC(=O)CNc1ccc(C(=O)N2CC(=O)Nc3ccccc3[C@H]2c2ccccc2)cc1 2325875668 ZJEZRCGCIBTMAW-HSZRJFAPSA-N 414.465 2.768 0 50 HFAA O=S(=O)(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1 866128 GHFIWSVXBRDOGH-UHFFFAOYSA-N 406.957 2.689 0 50 HFAA COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 4867522 NYMYYSATUSDLDU-OAHLLOKOSA-N 404.488 2.743 0 50 HFAA C[C@H](Cc1ccccn1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12305447 NALSPWWOPASWLQ-HXUWFJFHSA-N 421.589 2.900 0 50 HFAA COc1ccc(CNCCc2c(C)n[nH]c2C)cc1OC[C@H](O)CN1CCCCC1 12589587 RTCVBPAWQDQPCZ-HXUWFJFHSA-N 416.566 2.593 0 50 HFAA CN(C)CCNC(=O)c1ccc(OC2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 12595764 JHKVMOTWXKPYIC-MRXNPFEDSA-N 411.999 2.980 0 50 HFAA CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CN[C@H](C)COC)CC1 15008111 CIVFZCXKSKWHIE-QGZVFWFLSA-N 400.523 2.946 0 50 HFAA CCN(CC)CCNCc1ccc(OC[C@H](O)CN2CCCCCC2)c(OC)c1 19228236 NFDWHKDHQQYDSI-OAQYLSRUSA-N 407.599 2.742 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1 19561051 PCUSYHACRPCECZ-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA COC[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1 39436912 MKEAVOQADCWDEU-KRWDZBQOSA-N 404.507 2.726 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 67603820 CQMZDOGZZULIEN-UHFFFAOYSA-N 403.504 2.919 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)cs2)[C@H]3C1=O 77470730 VNNPZZWCAZCJOG-DKXUYOFUSA-N 403.548 2.628 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 257347235 AZCNJEFLSOQGST-OJUVVMGQSA-N 404.503 2.641 0 50 HFAA CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCCN(c2ccccc2)C1=O 303599652 AEXQQHQFWCMJDL-OAQYLSRUSA-N 416.481 2.564 0 50 HFAA C[C@@H]1CN(C)c2ccccc2N(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 482452842 ODDTXCFLVUPIMR-LJQANCHMSA-N 421.545 2.630 0 50 HFAA CC(C)n1cc(-n2ccnc2-c2ccccc2OCC(=O)NC[C@@H]2CCCO2)cn1 1857684848 HIUNYISFWZBDLW-SFHVURJKSA-N 409.490 2.991 0 50 HFAA O=C(N[C@@H]1CN(CCCc2ccccc2)CC[C@@H]1O)c1cn2cc(Cl)ccc2n1 1857731869 RUVNJJZYKCUQMD-QUCCMNQESA-N 412.921 2.786 0 50 HFAA Cc1cc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c2c(O)nc(=O)n(C)c2n1 1875244211 DRWKZWREEOJSGQ-MSOLQXFVSA-N 422.485 2.581 0 50 HFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 1875262748 XWJTZKZLVALJGI-NRFANRHFSA-N 418.497 2.851 0 50 HFAA O=C(NCC[C@@H](O)c1ccc(Br)cc1)c1ccc2[nH]nc(C(=O)O)c2c1 1875301873 ULLLXHHOAIRUGE-OAHLLOKOSA-N 418.247 2.877 0 50 HFAA Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C(=O)C[C@H]2CCNC2=O)c(C)c1 1875334822 GNZQEIFZACCAEE-TZIWHRDSSA-N 407.514 2.759 0 50 HFAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3nc4ccccc4o3)OCC(=O)N2C2CC2)cc1 1940195891 UHOIQDMUYFKCKO-YADHBBJMSA-N 421.453 2.584 0 50 HFAA COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cc(-c3cnc(C)o3)ccc1C)CC2 2356139264 UYVCQTQADSZYGZ-INIZCTEOSA-N 404.488 2.922 0 50 HFAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1/C=C/c1ccccc1OC 3640325 ILMDJASXOWRGCS-ROJDOSBLSA-N 416.499 2.876 0 50 HFAA CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1 4098355 BDIAUFOIMFAIPU-KVJIRVJXSA-N 422.474 2.662 0 50 HFAA biogenic,in-man Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)c(C)c1 4413972 RTHPTALQDVPRSE-SFHVURJKSA-N 401.532 2.724 0 50 HFAA CC(C)OCCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccsc3)nc2C1 11841422 CYVIOACPTOIXOV-LBPRGKRZSA-N 407.517 2.743 0 50 HFAA Cc1ccc2nc(CNC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)cn2c1 12151179 ACEIGPABBQFVKX-UHFFFAOYSA-N 423.517 2.701 0 50 HFAA CCCCn1c(CN2CCN(c3cccc(OC)c3)CC2)cnc1S(=O)(=O)CC 15080070 CLTIZRHQXZPUGU-UHFFFAOYSA-N 420.579 2.808 0 50 HFAA COc1ccccc1N1CCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)[C@@H](C)C1 55165964 NBNYRJYDXPCPJY-KRWDZBQOSA-N 420.579 2.662 0 50 HFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C2=C1C(=O)OC2 169758127 HAPQFHXAIGYHEZ-NRFANRHFSA-N 421.453 2.910 0 50 HFAA CN(C)c1ccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)cc1 169777516 DSPLRNNSILVZAD-UHFFFAOYSA-N 407.478 2.749 0 50 HFAA CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC)cc1 245343580 SNBBMVIZPATJKD-IWQHBPENSA-N 406.475 2.641 0 50 HFAA CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]1c1coc2ccccc2c1=O 252428039 OOXIMMFKYHJNKC-LNLFQRSKSA-N 410.813 2.923 0 50 HFAA CC(=O)Nc1cccc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)c1 252549087 QTEPWLDJPHQLCE-QGZVFWFLSA-N 414.849 2.952 0 50 HFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC2(CCN(C)C2=O)CC1 445258072 HIQQNZFFTJJZQM-LBPRGKRZSA-N 400.445 2.637 0 50 HFAA COC(=O)N1CCC([C@H](C)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 776782000 DRVQOYIUEAAMAG-ZETCQYMHSA-N 416.368 2.527 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CCN(C(=O)[C@H]2CCCO2)CC1 826595213 SVIGSVMABYRWKX-OAQYLSRUSA-N 400.498 2.888 0 50 HFAA CSCCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 952974811 WWDNGFOHVGWDHB-UHFFFAOYSA-N 403.592 2.791 0 50 HFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(C)C 952982872 SFVRHQLEUMEXAG-LJQANCHMSA-N 400.523 2.661 0 50 HFAA CC(C)CN1C[C@@H](C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1=O 1289557911 NCKWSOUZGZIUGH-INIZCTEOSA-N 401.894 2.993 0 50 HFAA Nc1ccnc(N2C[C@@H]3CN(Cc4ccc(Cl)s4)C[C@]3(CCC(=O)O)C2)n1 1772809083 LWFIWTUSFKSMGC-KPZWWZAWSA-N 407.927 2.577 0 50 HFAA O=C(c1cn(CC(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c2ccccc12)C1CC1 1800409899 LIIHFUPUPYLKSQ-GOSISDBHSA-N 410.470 2.574 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3ccc(C)c(C)c3)CC(=O)N2[C@H]1c1ccccc1 1857720154 GVHYIUOIIUHPFB-HFMPRLQTSA-N 420.509 2.820 0 50 HFAA Cc1ccc(C(=O)N2CCN(C(=O)C[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1F 1875318744 UYSSMSSJRIBYPD-LJQANCHMSA-N 412.461 2.752 0 50 HFAA COC(=O)[C@](C)(CNC(=O)C[S@](=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875327934 QCAMFRNCMSADAT-WINIVTDRSA-N 411.882 2.834 0 50 HFAA CC[C@H](C(=O)N(C)[C@@H](CNC(=O)c1cc(C)sn1)c1ccccc1)n1cncn1 1875355024 XRYBOLBGWXQFKG-MSOLQXFVSA-N 412.519 2.624 0 50 HFAA C[C@@H](C1CC1)N1C[C@@H](C(=O)Nc2nc3cc(Br)ccc3n2C)CC1=O 2325826657 ITLGISCYTGDMNT-JQWIXIFHSA-N 405.296 2.921 0 50 HFAA CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 4753493 ODWDRUKPGHUSEU-FQEVSTJZSA-N 421.453 2.869 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1 12301017 QVEZEYLDGISDKL-SFHVURJKSA-N 412.534 2.828 0 50 HFAA COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)C(C)(C)C)C3)c1 14531729 QDWFEFATNAABBX-UHFFFAOYSA-N 410.518 2.763 0 50 HFAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)c1ccoc1)C2 14532149 MMQDIFULATVREP-UHFFFAOYSA-N 407.474 2.656 0 50 HFAA CC[C@H](COC)NC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCC2)c1=O 14974189 CCGFRBHYSVKOJS-QGZVFWFLSA-N 405.539 2.675 0 50 HFAA CCC1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 17089016 ZMXVSEDNTNIUSV-UHFFFAOYSA-N 411.593 2.963 0 50 HFAA COc1ccc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1OC 19901534 OVJWCPAKEGMWGY-SFHVURJKSA-N 404.482 2.543 0 50 HFAA CCOc1cc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC 170592041 OAWURKCEFIBCDH-KBXCAEBGSA-N 403.928 2.573 0 50 HFAA O=C(CNC(=O)OCC(F)(F)F)NCC1(c2cccc(Cl)c2)CCOCC1 170624910 LVMLEFJOWBFONA-UHFFFAOYSA-N 408.804 2.793 0 50 HFAA COc1cccc2c1OCC(CN1CCc3nnc(Cc4cccnc4)n3CC1)=C2 824801285 IFJPPVGXIGCDDX-UHFFFAOYSA-N 403.486 2.607 0 50 HFAA COCCc1noc([C@@H]2CCCN(C(=O)CCC(=O)Nc3cccc(F)c3)C2)n1 952976393 NCWWWQVJUZABJI-CQSZACIVSA-N 404.442 2.523 0 50 HFAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)C1 952989880 YQFQIDBQCZQKKX-VIFPVBQESA-N 423.438 2.569 0 50 HFAA CCCc1ccc(CN2C[C@H]3CN(C(=O)c4nsnc4C)C[C@@]3(CN(C)C)C2)o1 1772808744 AHJKWUSCQDIMHL-HRAATJIYSA-N 417.579 2.528 0 50 HFAA O=C(Cc1cccc(O)c1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857695509 MJVQAVIJARVAGA-DEOSSOPVSA-N 416.481 2.999 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4c(C)noc4C)CC3=O)sc2c1 1857728173 QNLXXRTVWJCCDT-CYBMUJFWSA-N 414.487 2.969 0 50 HFAA O=C(O)[C@H]1CCCCCCN1C(=O)c1cc(-c2cn(-c3ccncc3)nn2)ccn1 1875354452 WFUROTJOGBAQQR-LJQANCHMSA-N 406.446 2.584 0 50 HFAA CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 11813205 IHIYLARYSIQVOG-LEWJYISDSA-N 402.535 2.894 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cc(C)[nH]n2)n1CCCc1ccccc1 12429646 YMCOCGDZCZPNTK-UHFFFAOYSA-N 415.563 2.973 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@H](C)c3ccon3)cc2)CC1 12612440 UTMZLQFPLVDWLV-MRXNPFEDSA-N 415.490 2.914 0 50 HFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](N(C)Cc1cccs1)C2 14744331 CWTPFONFMJEFAO-QGZVFWFLSA-N 415.607 2.732 0 50 HFAA O=C(c1nc2ccccn2c1CN1CCCC[C@H]1c1cccnc1)N1CCOCC1 20999352 ATPQNZDDHLPKKX-IBGZPJMESA-N 405.502 2.929 0 50 HFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 49543794 ZZQHTMSZVCPXIA-PXNSSMCTSA-N 400.519 2.871 0 50 HFAA biogenic CC1(C)CC(NC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC(C)(C)N1 67723789 KBCSVIGIVWJKQT-QFIPXVFZSA-N 409.521 2.717 0 50 HFAA COc1ccc(OC)c(NC(=O)Cn2ncc(N3CCCCC3)c(Cl)c2=O)c1 72115569 BHTYBTMEYKHNSF-UHFFFAOYSA-N 406.870 2.543 0 50 HFAA COc1cccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)c1 169781023 AVLQVQVKQMFSRR-UHFFFAOYSA-N 418.457 2.914 0 50 HFAA COCC(=O)Nc1cnn(-c2ccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)cc2)c1 210884498 QQPPMVPWSJWWLI-ZWOKBUDYSA-N 406.486 2.789 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)C1 239175844 QSYCNTMPHIJYFN-FHLIZLRMSA-N 406.504 2.713 0 50 HFAA C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C 241124392 JHXXUKZCBOOOLP-OWSLCNJRSA-N 417.554 2.986 0 50 HFAA CCCn1cc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c(C)n1 252532940 FMJHUDZPEXMPBV-GOSISDBHSA-N 422.489 2.779 0 50 HFAA CCC[C@]1(C2CCN(C(=O)CC(C)(C)C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 299760180 HQGVFMCODYDUHR-VGOFRKELSA-N 407.555 2.931 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c3ccccc3n2)o1 744626710 SSDBAGHEHIHCLJ-QKFKETGDSA-N 418.453 2.911 0 50 HFAA Cc1ccc(CN2C[C@H]3CN(Cc4ccc5c(c4)OCCO5)C[C@@]3(CO)C2)s1 1772810277 FOFGJLFFIFWLLV-GCJKJVERSA-N 400.544 2.754 0 50 HFAA Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)CC1 1857734602 WLDRLUIDTAJKNC-INIZCTEOSA-N 421.526 2.701 0 50 HFAA O=C1NC(=O)[C@]2(CCCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)C2)N1 1875265469 JIHIHEXTJMGGNN-HSZRJFAPSA-N 402.454 2.509 0 50 HFAA CN1CCN(Cc2ccc(CN(C)C(=O)c3ccc4cccnc4c3N)cc2)CC1 1875349918 SOTQSUWKBKKDOG-UHFFFAOYSA-N 403.530 2.837 0 50 HFAA CC[C@@H](C(=O)N(C)[C@@H](CNC(=O)c1cc(C)sn1)c1ccccc1)n1cncn1 1875355026 XRYBOLBGWXQFKG-ROUUACIJSA-N 412.519 2.624 0 50 HFAA O=C(c1cc(=O)cc[nH]1)N1CC[C@H]([C@@H]2CCCN2C(=O)c2cc(O)c3ccoc3c2)C1 2332239557 KAUFCTLQFJZKQA-LIRRHRJNSA-N 421.453 2.594 0 50 HFAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccccc2OC(F)(F)F)C1=O 2356145164 DJOPCMMIQOLVNG-SFHVURJKSA-N 400.397 2.829 0 50 HFAA Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 625487 WLLZAJNMMCZVLF-UHFFFAOYSA-N 403.417 2.790 0 50 HFAA COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 1065526 FSRYNQJVMLPMEM-LLVKDONJSA-N 413.293 2.763 0 50 HFAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccc(OC)cc1 1425275 MXDRZRIUJXLLPV-FQEVSTJZSA-N 406.442 2.916 0 50 HFAA COc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(OC)cc3)n2)cc1 2757021 LQHOQKLWJKWWQG-UHFFFAOYSA-N 405.454 2.959 0 50 HFAA O=C(NC(=S)Nc1ccc(I)cn1)c1cccc(F)c1 2830472 FDSMRWGOKMPCPZ-UHFFFAOYSA-N 401.204 2.952 0 50 HFAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cnccc12 12582496 QKUYWMGXYMYAGH-QHCPKHFHSA-N 416.525 2.892 0 50 HFAA COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1 14887268 SIUINDDBPKQYEM-WOJBJXKFSA-N 418.534 2.513 0 50 HFAA C[C@H](CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 17082420 RBTGLBVYSJLRQL-AWEZNQCLSA-N 402.472 2.877 0 50 HFAA CCNC(=O)[C@@H]1C[C@@H](NC2CCN(CC)CC2)CN1Cc1cccc2ccccc12 20235800 SGESTRUYBOWLCE-VWNXMTODSA-N 408.590 2.993 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1C 20451608 VCPJLXVWXYVIRZ-IBGZPJMESA-N 402.564 2.584 0 50 HFAA CCOC(=O)N1CCC(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)CC1 23373002 CZEILOCWBMBJLM-QFIPXVFZSA-N 403.567 2.609 0 50 HFAA CN(CCc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55228436 UFONWIKMRYPYEX-FQEVSTJZSA-N 417.912 2.871 0 50 HFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)N2CCCC2)cc1 91707958 KPMBRVXBDOEUAE-SFHVURJKSA-N 404.536 2.825 0 50 HFAA COc1ccc(OC)c(N2C(=O)C[C@H]([C@@H]3CCCC=C3N3CCOCC3)C2=O)c1 101130273 MEEMMDQFRGTIMD-DLBZAZTESA-N 400.475 2.600 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1 170603233 SNRJLFRKZDKRJP-KBRIMQKVSA-N 400.928 2.666 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)c1 221921257 SNRJLFRKZDKRJP-XKQJLSEDSA-N 400.928 2.666 0 50 HFAA Cc1nnn([C@@]23C[C@H]4C[C@H](C[C@@](C(=O)N5CCN(c6ccccc6)CC5)(C4)C2)C3)n1 245234302 AAMIERAAHIMJMI-PVTAMDAMSA-N 406.534 2.626 0 50 HFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 253429575 TTXMPCOYUDPFLC-IAGOWNOFSA-N 411.506 2.905 0 50 HFAA Cn1ncc2c(O)nc(N(CCCNC(=O)OC(C)(C)C)Cc3ccccc3)nc21 795203689 WOBFZACIARPSIT-UHFFFAOYSA-N 412.494 2.990 0 50 HFAA CC[C@](O)(C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)c1cccc(Cl)c1 800513085 RBDAPRMRFZRYSB-OAQYLSRUSA-N 402.878 2.628 0 50 HFAA C[C@H]1CCCCN1CCOc1ccccc1C(=O)Nc1csc(S(N)(=O)=O)c1 1302684418 OLMYOKJVNXLEMU-AWEZNQCLSA-N 423.560 2.901 0 50 HFAA CCOc1ccccc1S(=O)(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857711533 FKMXWICVSWRRIO-RTBURBONSA-N 402.516 2.532 0 50 HFAA CCCCc1nc(C(=O)NCCN(C)C(=O)C[C@H]2CSCCS2)cs1 1875348126 YANQBKFSCJGIRV-ZDUSSCGKSA-N 401.623 2.913 0 50 HFAA CN1CC[C@@H](O)[C@H](C(=O)NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1 2100544858 MEMGNHOKFCZJQR-DNQXCXABSA-N 421.585 2.649 0 50 HFAA C[C@H]1Cc2cc(Br)cc(F)c2CN1C(=O)c1cnn2c1C[C@H](N)CC2 2325829607 NVLRTERRGPQAIJ-GXFFZTMASA-N 407.287 2.645 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2cc3c(cc2Br)OC(C)(C)O3)C1 2325889444 QSVNIZCFVMSUKP-LBPRGKRZSA-N 423.307 2.997 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 2356142246 JZXWWQHHNBWYSX-UHFFFAOYSA-N 408.454 2.730 0 50 HFAA Cc1cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc(C)c1O 2356151884 DZBROAAUJFJAMH-YDHSSHFGSA-N 400.519 2.910 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)CSc3nc(C)cc(O)n3)CC1)OCC2 2356161411 UVYKUDUNCADUTD-UHFFFAOYSA-N 415.515 2.682 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cc1 11789108 KPLCOYFNZZGPQT-JOCHJYFZSA-N 409.530 2.963 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccccn2)CC1)c1ccc2c(c1)OCO2 12092362 PEWMPSATIUZOMK-UHFFFAOYSA-N 419.441 2.736 0 50 HFAA CCN(CC)CCN(C)C(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 12201577 SMLRZNFFDDQPFI-UHFFFAOYSA-N 419.566 2.507 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 12429477 PZUVLSJIKZFAHY-FQEVSTJZSA-N 424.593 2.812 0 50 HFAA CC(C)NC(=O)c1cn([C@@H]2CCCN(C(=O)/C=C/c3ccccc3Cl)C2)nn1 14971606 KKEYMWBWVMTXAS-ZNFPLGDCSA-N 401.898 2.947 0 50 HFAA S=C(NCCCN1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20503185 ZEYLXIGZBREEGW-UHFFFAOYSA-N 417.406 2.712 0 50 HFAA CN1CCN(CCc2nnc(S)n2-c2ccc(OCc3ccccc3)cc2)CC1 22454546 OGJXCMKQCMFOFI-UHFFFAOYSA-N 409.559 2.925 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)ccc1O 27015679 HAOXMWGSLQOXDJ-TXPKVOOTSA-N 424.375 2.813 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 72433963 MKRGTKZQBPBZFV-UHFFFAOYSA-N 418.501 2.824 0 50 HFAA O=C(NCc1ccc(O)cc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82108061 LXFBMVCUJXLONU-OAQYLSRUSA-N 408.546 2.780 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cnc(C)nc1 95527859 AJEZBMPDDYJDJO-UHFFFAOYSA-N 400.498 2.925 0 50 HFAA O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2cccc3c2n(c1=O)CCC3 170622759 SSTQRQNWKMXQTA-UHFFFAOYSA-N 423.494 2.740 0 50 HFAA Cc1nc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)sc1C 170625646 JHCKIZJXCQKLPH-INIZCTEOSA-N 411.487 2.733 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 225633319 OMVUDUJFAOLGRN-UHFFFAOYSA-N 407.879 2.947 0 50 HFAA C[C@H]1CN(C)[C@H](C)C[C@]1(O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 226869847 URNGAGFSEVYAOW-VRUMLPLGSA-N 401.626 2.787 0 50 HFAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCC2 239025432 BPFSYJSIHHQYFS-KFZJALRRSA-N 418.515 2.726 0 50 HFAA CN(C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 1506421228 NOTXKWXZEJFKJR-IAGOWNOFSA-N 418.902 2.718 0 50 HFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1529141471 FXGOUFMBYHXHRG-CYBMUJFWSA-N 416.425 2.822 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(OC)c2OC)cc1OC 1529186869 LPSPOTQSVYDPHA-NHCUHLMSSA-N 403.475 2.655 0 50 HFAA COc1ccc(-c2ccc(C(=O)O)c(N3C[C@H](O)[C@H](Cc4ccncc4)C3)n2)cc1 1857719829 WKHBIXNJTHUJMM-UTKZUKDTSA-N 405.454 2.890 0 50 HFAA CCCOCC(=O)NC[C@H]1[C@H]2CN(Cc3cccc(OCC)c3)C[C@]23CC[C@H]1O3 1857722105 OGSKJFROTSACSY-ZZLPTCMGSA-N 402.535 2.608 0 50 HFAA CSC1(C(=O)N[C@@H]2CN(C(=O)c3occc3Br)CC[C@@H]2C)CC1 1875345560 BRCPMZRQVGYCOW-CMPLNLGQSA-N 401.326 2.905 0 50 HFAA O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NCc1cc2ccccc2[nH]1 2325721555 BKTNNFQXHJWXHD-UHFFFAOYSA-N 410.905 2.612 0 50 HFAA CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C(=O)O)c(F)c3)cc21 2325776054 BRIYASLRARGRGY-UHFFFAOYSA-N 422.434 2.706 0 50 HFAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 1072683 WIZLOTVFVRXCHK-SFHVURJKSA-N 418.515 2.778 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)nc(C)n1 2838399 KKXYBKAZJVMMCM-UHFFFAOYSA-N 424.529 2.757 0 50 HFAA Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1nccs1 2841277 IHVJPWBAGPWCKI-UHFFFAOYSA-N 422.923 2.586 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)OCC)cc2)cc1 2855826 IIXDJXOULRMRSL-UHFFFAOYSA-N 407.517 2.970 0 50 HFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4504094 CSEFCIQHXUMLTM-PQGQHUGISA-N 416.543 2.760 0 50 HFAA CCCCn1c(CN2CCC([C@@H](O)c3ccccn3)CC2)cnc1S(=O)(=O)CC 11661982 HAQQCCQLLXQXTP-HXUWFJFHSA-N 420.579 2.817 0 50 HFAA Cc1ccc2cc(CN[C@@H]3CCS(=O)(=O)C3)c(=O)n(CCc3ccccc3)c2c1 12051702 JAXSSBHQOZPMFC-OAQYLSRUSA-N 410.539 2.829 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cnc(OC)nc4)C3)C2)c1 12707298 ZGMZGZCTRPBDKR-JOCHJYFZSA-N 414.481 2.761 0 50 HFAA COc1cccc(CO[C@H]2CN(Cc3nc[nH]c3C)CC(=O)N(CC(C)C)C2)c1 14733152 YPYQASODZNEFDT-FQEVSTJZSA-N 400.523 2.612 0 50 HFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccoc1)CC2 14752616 ZQPSXBZYFJWNCW-UHFFFAOYSA-N 412.490 2.510 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)Cc2ccccc2C)C1 14962605 GRFKFTMKPMRYFH-LJQANCHMSA-N 410.514 2.980 0 50 HFAA O=C(c1cccs1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20167753 OHCKYJQEQDENBW-SFHVURJKSA-N 413.543 2.899 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)c4n[nH]c5ccccc45)CC3)n[nH]c2=O)cc1 169779741 YBOCUWVSKPBBKP-UHFFFAOYSA-N 402.458 2.765 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 206236975 UQORLWXSNCONMX-LJQANCHMSA-N 419.485 2.533 0 50 HFAA C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 241132879 JMQYCELZCRPHJR-FCDRMGDPSA-N 406.548 2.529 0 50 HFAA C[C@H](NC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc12 242263274 XXPDXLVBYQQRIA-AVRDEDQJSA-N 409.530 2.730 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(NC(C)=O)cc4)c3CO2)cc1 263616843 KVEZMRQJPSIIKA-LJQANCHMSA-N 407.430 2.769 0 50 HFAA Cn1cnc2c(c1=O)CCN(C(=O)c1cc(-c3ccccc3C(F)(F)F)on1)C2 462321722 NYANYCVMWMLQDK-UHFFFAOYSA-N 404.348 2.653 0 50 HFAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 684694692 DWFQMZNMNZFSSW-MRXNPFEDSA-N 417.535 2.594 0 50 HFAA COc1ccc2[nH]c(CNC(=O)c3ccccc3S[C@H]3CC(=O)NC3=O)cc2c1 824758653 YLBSEYJDYXRFME-SFHVURJKSA-N 409.467 2.614 0 50 HFAA Cc1cnc2c(C(=O)N3CCO[C@@H](CN4CCCC4)[C@@H]3c3ccccc3)cnn2c1 1857710321 QPRBXUUATULTPZ-SFTDATJTSA-N 405.502 2.716 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CC1 1875369558 VWLCKRRYGKKZMN-OAHLLOKOSA-N 403.910 2.673 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)c1 1071815 RAUNHTZTDQXWIJ-UHFFFAOYSA-N 410.517 2.685 0 50 HFAA CCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c1C(=O)N(C)C 2805187 CEOAKXFMKOBUIP-UHFFFAOYSA-N 420.823 2.811 0 50 HFAA C[C@H](C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1)n1cnc2ccccc21 11667797 BVOYDGQNAXEHHW-QGZVFWFLSA-N 423.561 2.579 0 50 HFAA O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NCCc1cn2ccsc2n1 11785097 JDMFMLWHKDYUJD-LJQANCHMSA-N 402.545 2.788 0 50 HFAA CC(C)CC[C@@]1(C2CCN(C(=O)C(C)(C)C)CC2)NC(=O)N(CCN(C)C)C1=O 11788597 HACJNWIODAPKTQ-QFIPXVFZSA-N 408.587 2.560 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(Cl)c2)cc1 11813434 BDQDKDCFPFMKCG-FQEVSTJZSA-N 415.921 2.746 0 50 HFAA Cc1nc2sccn2c1CN1CCC2(CC[C@H](CNC(=O)[C@@H]3CCCO3)O2)CC1 11963988 CYHMBBRZRSGWOO-AEFFLSMTSA-N 418.563 2.513 0 50 HFAA Cc1nnc(SCCNC(=O)c2coc(Cn3cnc4ccccc43)n2)s1 12076709 HWQJEXZYVSJABT-UHFFFAOYSA-N 400.489 2.755 0 50 HFAA COc1cccc([C@H]2CCCCN2C(=O)Cn2nnnc2CN2CCC(C)CC2)c1 12304298 KQTDHSILKAMCJJ-HXUWFJFHSA-N 412.538 2.667 0 50 HFAA CC(=O)N1C(=O)N(Cc2ccccc2)[C@@H]2[C@H]1N(Cc1ccccc1)C(=O)N2C(C)=O 12379358 HFCSCBYVVGQYDQ-PMACEKPBSA-N 406.442 2.607 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1OC 14988485 OMFIFZAXBDFQIV-SFHVURJKSA-N 423.444 2.962 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@@H]2CCOC2)O3)n1 15000290 RTTQYFIPRFSAQI-BXUZGUMPSA-N 405.907 2.975 0 50 HFAA CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 19852584 FTMMEYJBLLRJQZ-UHFFFAOYSA-N 417.531 2.550 0 50 HFAA COCCN(C)C(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72419760 NUNFPLSRXSUTAW-UHFFFAOYSA-N 414.893 2.945 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)c1 169780730 SVSHOLOWOIEZJY-UHFFFAOYSA-N 422.485 2.906 0 50 HFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccccc1CN1CCOCC1 488901823 UTJGOXFGTUGKQT-KRWDZBQOSA-N 409.534 2.985 0 50 HFAA COCCn1cnnc1CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 824463987 LTDDGWXZQBWCOB-UHFFFAOYSA-N 402.458 2.707 0 50 HFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 952971732 IHRBJJZWUGLVBS-AWEZNQCLSA-N 415.943 2.623 0 50 HFAA O=C(c1cccnc1)N1CCC(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1529159214 QOLMLOLJMXWORV-HYBUGGRVSA-N 416.525 2.770 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2ncccc2F)CC1 1857709535 CWMZCLKUSUWSAT-SFHVURJKSA-N 403.429 2.635 0 50 HFAA Cc1ncsc1CN1CC2(CCN(C(=O)[C@]3(C)CCCCO3)CC2)OCCC1=O 1857720285 NKEKEVJBCCAUMS-FQEVSTJZSA-N 421.563 2.521 0 50 HFAA O=c1cc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc2ccc(Cl)cn12 1875246618 SENLZZDBROLCDS-WOJBJXKFSA-N 410.905 2.606 0 50 HFAA Cc1nc(NC(=O)[C@H](C)OC(=O)[C@H]2CSCN2C(=O)c2ccccc2)sc1C 1875346283 YQMFUKDBYFTYHE-SWLSCSKDSA-N 419.528 2.845 0 50 HFAA Cc1nc(O)nc(O)c1CC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 2325824676 MCTHPTINQAQXDZ-SFHVURJKSA-N 404.470 2.955 0 50 HFAA N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2 3795983 PNUZDKCDAWUEGK-CYZMBNFOSA-N 409.820 2.703 0 50 HFAA investigational NC(=O)c1c(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)sc2c1CCC2 6755174 DADAIOARDXYHKZ-UHFFFAOYSA-N 411.527 2.756 0 50 HFAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cc[nH]n3)CC2)[C@H]1OCCOC 11912112 HWFNPBYFZPWRQX-YADHBBJMSA-N 412.534 2.556 0 50 HFAA CC(C)Cn1cc(C(=O)NCCc2ccncc2)c(=O)c(C(=O)NC2CCCCC2)c1 12160265 ZUPVMIOLEUIUJV-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccnc(-n3cnnn3)c2)c1C 12758961 AQUWCFLGWJEORA-SFHVURJKSA-N 414.473 2.667 0 50 HFAA Cc1cccc(N(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)S(C)(=O)=O)c1 13682709 YBAGXYPYGCACJF-HXUWFJFHSA-N 402.516 2.870 0 50 HFAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O 14751209 PKWLLIHPAIDNCC-NHCUHLMSSA-N 405.498 2.551 0 50 HFAA O=C(Nc1ccccc1C(=O)N1CCN(CCO)CC1)c1ccc(Cl)cc1Cl 19908644 QKHKLOKNVSULRE-UHFFFAOYSA-N 422.312 2.996 0 50 HFAA Cc1cc(C)n(CCc2nnc(NC(=O)N3CCN(c4ccccc4)CC3)s2)n1 23430545 MDBWFXIAWLDXKH-UHFFFAOYSA-N 411.535 2.948 0 50 HFAA CN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)CC1 55451992 KQHAJBPLQUJGNY-UHFFFAOYSA-N 407.371 2.942 0 50 HFAA COCCCNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91757619 XCIBHMUDBSVYSB-KRWDZBQOSA-N 400.523 2.661 0 50 HFAA CCCc1noc(-c2ccn3c(CNC(=O)Cc4ccccc4OC)nnc3c2)n1 169776191 LFERFZDGHLCACO-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA CCc1noc(-c2cn(C3CCN(C(=O)Cc4cccc(Cl)c4)CC3)nn2)n1 169777464 XRRSXWPQESLXLR-UHFFFAOYSA-N 400.870 2.950 0 50 HFAA CCOc1ccc(CC(=O)N2CC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1 169777985 YGMHQEMUMAIDSS-INIZCTEOSA-N 410.478 2.866 0 50 HFAA NS(=O)(=O)c1cccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c1 225658256 JWRQRXLVIICRID-UHFFFAOYSA-N 400.547 2.924 0 50 HFAA NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)C1 230080759 APEHPHJHKLAIIZ-TZIWHRDSSA-N 424.545 2.938 0 50 HFAA CCS(=O)(=O)Nc1cccc(N2CCC(NCCn3nc(C)cc3C)CC2)c1 299770308 RJJVCCQYEKSTKD-UHFFFAOYSA-N 405.568 2.520 0 50 HFAA CCS(=O)(=O)N1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 301346934 HOOSHKSESURFJT-UHFFFAOYSA-N 414.531 2.511 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1Cl 1506398327 BOYYWAXYKUOWTI-UHFFFAOYSA-N 407.319 2.635 0 50 HFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1[nH]nc2ncccc12 1772811223 RRDQAVQVLCSKIS-UHFFFAOYSA-N 410.437 2.651 0 50 HFAA COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C 1772820277 SSVDXCWSMBMTOV-ANSQVHJPSA-N 420.502 2.578 0 50 HFAA O=C(NCc1cc(C2CC2)on1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857715679 COPDCDSBQDNUDU-HNNXBMFYSA-N 423.498 2.664 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 1857730473 QRMPBHLWJRAAMD-LJQANCHMSA-N 401.492 2.609 0 50 HFAA C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 1875252053 NWBNHEPZTBLGRI-MOPGFXCFSA-N 424.549 2.554 0 50 HFAA O=S(=O)(Cc1csc(COc2ccc(F)cc2)n1)c1nc(CO)cs1 1875315507 XTYOJIQSJUQXDQ-UHFFFAOYSA-N 400.478 2.784 0 50 HFAA CN(C)c1cccc(-c2nc([C@@H]3CC=CCC3)n([C@@H]3CCCS(=O)(=O)C3)n2)n1 1875340664 MEHPZYRAMXXBRU-HZPDHXFCSA-N 401.536 2.980 0 50 HFAA CCOCCc1nnc(NC(=O)c2ccccc2I)s1 4807528 YDRNWXRBXUPGKM-UHFFFAOYSA-N 403.245 2.974 0 50 HFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cccc(O)c1)CC2 14538448 GSBCVMMMBLIRRJ-UHFFFAOYSA-N 400.523 2.569 0 50 HFAA Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)CN2CCCc2ccccc2)cc1 14955553 FAFKUZMELCSPCM-VXKWHMMOSA-N 404.518 2.546 0 50 HFAA COCCN[C@@H]1CCc2c(sc3ncn(CCc4ccccc4F)c(=O)c23)C1 14990190 DEQAGRNEKAIADQ-OAHLLOKOSA-N 401.507 2.933 0 50 HFAA C[C@H]1CN(C2CCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)CC2)C[C@@H](C)O1 19758523 CBIBXNXLFZWPBC-IYBDPMFKSA-N 417.941 2.694 0 50 HFAA CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccccc2O1 40414461 OQWZIAVXCYIZNN-OAQYLSRUSA-N 408.458 2.796 0 50 HFAA in-vitro Cc1ccsc1C(=O)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 206143055 LDVMTKYGCQNCLW-OALUTQOASA-N 403.523 2.593 0 50 HFAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CN1C(=O)CC2(CCCC2)C1=O 253412833 SEURUGCQGYHUDW-GOSISDBHSA-N 409.486 2.989 0 50 HFAA biogenic O=C(c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2)N1CCSCC1 263615860 FONSHXHNZGSGDW-CQSZACIVSA-N 409.309 2.501 0 50 HFAA CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 759472105 IPTUZYAMJOTUDH-CQSZACIVSA-N 408.520 2.992 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O 824819752 HWQFADAGNWOAPB-LJQANCHMSA-N 404.470 2.546 0 50 HFAA NCc1nc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)co1 1857707751 ZNBUPRQMROYVOL-LJQANCHMSA-N 412.534 2.845 0 50 HFAA CC(C)(C)OC(=O)NC1(c2ncc(I)cn2)CCOCC1 1857783055 LOEPSVJSOOXCKQ-UHFFFAOYSA-N 405.236 2.612 0 50 HFAA Cn1cc(-c2cc(C(=O)Nc3nc(-c4ccccn4)nc4sccc34)no2)nn1 1875362769 RVVKKRAYOUODTE-UHFFFAOYSA-N 404.415 2.789 0 50 HFAA O=C(N[C@H](C(=O)N1CCC(CO[C@H]2CCNC2)CC1)c1ccccc1)c1ccccc1 2325869689 YEFOHDCEXOVMTE-GOTSBHOMSA-N 421.541 2.775 0 50 HFAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(F)c(Cl)c1 2877452 RACRATFTXOYDBF-UHFFFAOYSA-N 420.915 2.888 0 50 HFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)s1 11817455 FDQKASOZQLSRQR-KRWDZBQOSA-N 406.596 2.945 0 50 HFAA C[C@@]1(C2CCN(C(=O)c3ccccn3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12054983 OAWUZVRAWAFOGG-QFIPXVFZSA-N 410.449 2.584 0 50 HFAA COc1cc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)ccc1O 12431574 VIVPPFZRUCWNSO-SFHVURJKSA-N 403.567 2.946 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(C)n1)C2 14742505 XWYYBLMANXOJCA-KRWDZBQOSA-N 413.591 2.833 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 14966821 NIHKPZHODUTXTK-NRFANRHFSA-N 419.547 2.912 0 50 HFAA C[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 20136713 PMMFHBWJTWTGNS-KRWDZBQOSA-N 421.969 2.684 0 50 HFAA COCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40396086 MDJQRWGUNMZCOF-UHFFFAOYSA-N 413.865 2.943 0 50 HFAA COc1ccc(CN2CCCN(C[C@@H](O)COc3cccc4[nH]ccc34)CC2=O)cc1 170597073 NRVFHTDZDFSOPV-LJQANCHMSA-N 423.513 2.651 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c1 225404669 JUXFBGRIZJOUGA-KXBFYZLASA-N 403.504 2.897 0 50 HFAA COc1cc(I)c(Cl)cc1CNC(=O)c1ccnn1C 225468055 AMRYEJMLAFSHSO-UHFFFAOYSA-N 405.623 2.617 0 50 HFAA N[C@@](C(=O)Nc1ccn(Cc2ccncc2)n1)(c1cc(F)cc(F)c1)C(F)(F)F 225705535 HXXYGAVRCUVQFI-QGZVFWFLSA-N 411.334 2.960 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1 226917516 KHJADHKTWFJFGG-VKDGWMQASA-N 401.466 2.735 0 50 HFAA COc1ccc(CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)cc1 230516975 NDHBOUMLNGWZMO-UHFFFAOYSA-N 416.293 2.953 0 50 HFAA CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239287477 CWIVIYHTEMEAKV-JPRZGNOKSA-N 422.481 2.635 0 50 HFAA CCOc1ccc2nc(N3CCC(N4CCN(CC)C(=O)[C@@H]4C)CC3)nc(C)c2c1 299773930 GXPJAVXQSHWXHC-KRWDZBQOSA-N 411.550 2.858 0 50 HFAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 498745094 FZXGEGOEHVQNIF-VBSBHUPXSA-N 409.530 2.604 0 50 HFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1 1506414274 NNIRRYQCTFBHNV-UHFFFAOYSA-N 404.514 2.945 0 50 HFAA Cn1ccnc1[C@@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)C1CC1 1704311438 JSFVUUZMZFQOAX-SFHVURJKSA-N 407.474 2.793 0 50 HFAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(-c2ccccc2)cc1N 1775964958 NRAAVZZOZCECFL-UHFFFAOYSA-N 424.438 2.811 0 50 HFAA NC(=O)c1ccc(CN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)C2CC2)c(F)c1 1875256493 VRYMWLNCEQDRFC-UHFFFAOYSA-N 422.460 2.717 0 50 HFAA C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(-n2ccc(C(N)=O)n2)c1 1875262763 IQRKXMFEVIBFSE-DJJJIMSYSA-N 411.437 2.744 0 50 HFAA Cc1cn2cc(C(=O)NCCCCCCNC(=O)c3ccc(N)c(F)n3)sc2n1 2325872031 FPMZZIQZTRGEBI-UHFFFAOYSA-N 418.498 2.541 0 50 HFAA CC(C)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 1140679 AXPZNOXOXIUINY-UHFFFAOYSA-N 404.488 2.986 0 50 HFAA COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 3612286 IFAWCODLZUUUSK-GOSISDBHSA-N 407.348 2.748 0 50 HFAA COC(=O)c1ccc(CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 8611854 WEOIEGOYOBNCMJ-UHFFFAOYSA-N 413.499 2.835 0 50 HFAA O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9601633 YRYYLHFNVLKHGV-UHFFFAOYSA-N 414.559 2.718 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 10360902 OSGGAACORWNKHI-UHFFFAOYSA-N 413.849 2.816 0 50 HFAA Cc1c(C(=O)N2CCCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 12025653 JVGTYLKSDJQJBC-AWEZNQCLSA-N 422.576 2.863 0 50 HFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCC(C)(C)CN(C)C)c2C)n1 12048763 IJFIPWCRHCAKNG-UHFFFAOYSA-N 422.533 2.964 0 50 HFAA CCOC(=O)CNC(=O)N1CCc2ccc(NC(=O)c3ccccc3OC)cc2C1 12054288 XNIXZFLOMKEGBA-UHFFFAOYSA-N 411.458 2.578 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1)c1ccc(-c2ccccc2)cc1 12454179 XKDKTJHRISWYTR-GOSISDBHSA-N 421.497 2.774 0 50 HFAA COC(=O)c1c(NC(C)=O)c2cc(NCc3cccc(OC)c3OC)cnc2n1C 14530528 UDIUKTMWMXJURP-UHFFFAOYSA-N 412.446 2.948 0 50 HFAA C[C@@H](NC(=O)c1ccc(CN(CCO)Cc2ccccc2)[nH]c1=O)c1cccs1 14997494 MGSMFATWJLBOSI-MRXNPFEDSA-N 411.527 2.922 0 50 HFAA COc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1 19792822 QAUBSZJYHZZHRQ-UHFFFAOYSA-N 411.889 2.837 0 50 HFAA aggregator COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1 44920247 MTTPRQYLFYMBCO-UHFFFAOYSA-N 402.454 2.759 0 50 HFAA O=C(NCCc1ccccn1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82172094 XFQMSULXLWMZSU-NRFANRHFSA-N 407.562 2.512 0 50 HFAA O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@H]2c1ccccc1F 137250622 LZWGFHDBBNFLBM-OAQYLSRUSA-N 416.481 2.902 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 169779724 KUDDLHAAWVNXDC-UHFFFAOYSA-N 408.458 2.598 0 50 HFAA O=C1NC2(CCSCC2)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 170621011 VZECLNSNWZQHNX-NSHDSACASA-N 405.303 2.551 0 50 HFAA C[C@@H]1NC(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)=NN(c2ccccc2)C1=O 170636934 ZGOVQTQNSHTUCC-RBOXIYTFSA-N 400.841 2.790 0 50 HFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccccc2)no1 263619028 WNXUSHFRTJQRTO-UHFFFAOYSA-N 417.400 2.893 0 50 HFAA O=C1CO[C@H](CNc2nccc3ccccc23)CN1CC1CCN(CC2CC2)CC1 299799473 GOPXHBXEVOSERO-OAQYLSRUSA-N 408.546 2.996 0 50 HFAA CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc(S(C)(=O)=O)c2)c1 499418870 DHUUKWZEFIFVGF-UHFFFAOYSA-N 402.519 2.556 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NC3CCN(C(=O)N4CCCC4)CC3)o2)c1C 1506405140 XLUMWQCGBHPJLG-UHFFFAOYSA-N 422.507 2.510 0 50 HFAA OC1CCN(c2ccnc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)n2)CC1 1704297212 KATNESRNSBEJOX-DYESRHJHSA-N 405.502 2.656 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)C[C@]2(C)CCN(C)C2)ccc1F 1704316435 PHCXLRBMKKYZBK-OAQYLSRUSA-N 404.486 2.969 0 50 HFAA CC(C)COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1857678798 RQWRFFYPMRGZMP-GOSISDBHSA-N 400.519 2.638 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1C(F)F 1857696719 NEQMAXKEHWLORD-ROUUACIJSA-N 403.429 2.834 0 50 HFAA CN(C[C@H]1COc2ccccc2O1)C[C@@H](O)COc1ccc(Br)cc1 2332237289 MTMCZNUYWJVGAK-WBVHZDCISA-N 408.292 2.961 0 50 HFAA C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356136912 BAEYRKJKYQPRLW-CYBMUJFWSA-N 413.547 2.585 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccn1 921547 IGTQTMNCMWYAKT-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA CCOC(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(N)=O)c1C 1116445 VCGVFXLTUNUMOA-FNORWQNLSA-N 402.428 2.713 0 50 HFAA CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(OC)cc2)CC3=O)CC1 2441952 FQLXYZWGTWAANX-KRWDZBQOSA-N 424.501 2.985 0 50 HFAA COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 3565654 JWDUDATWSPJWLD-UHFFFAOYSA-N 403.387 2.538 0 50 HFAA CN1CCC(N2CCC(CN(CCCn3cccn3)Cc3ccncc3)CC2)CC1 11817349 CFWFLPWDDJCGIM-UHFFFAOYSA-N 410.610 2.977 0 50 HFAA Cc1c[nH]c(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCc2ccccc2)n1 14530595 KNCRUWAJAGZVJD-UHFFFAOYSA-N 409.534 2.968 0 50 HFAA CCCN1CCN(C(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)CC1 14985181 VHXJETCIGKGQIF-HNNXBMFYSA-N 403.552 2.758 0 50 HFAA COCCN(C)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 15075831 VOBYPGMFMJGWHW-UHFFFAOYSA-N 401.595 2.900 0 50 HFAA CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 17082540 KDSSPBLPLMWQDO-INIZCTEOSA-N 402.582 2.636 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cc(C)ccc1C)CC2 20782319 HCVDHOYQXXBTFB-UHFFFAOYSA-N 409.530 2.768 0 50 HFAA C/C(Cl)=C\CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 33345518 PQYOUENZSWDMBY-DHZHZOJOSA-N 408.886 2.856 0 50 HFAA Cc1nc(-c2cn([C@H]3CCCN(C(=O)c4cccc(Br)c4)C3)nn2)no1 169777899 ICOCNHCGHUMMAZ-AWEZNQCLSA-N 417.267 2.876 0 50 HFAA Cc1nc(NC(=O)CN(C)C(=O)c2cccs2)ccc1I 170654479 KQVHOAYOMLOADS-UHFFFAOYSA-N 415.256 2.767 0 50 HFAA COC(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 218140271 HBVZGTTXTUDVQE-ZDUSSCGKSA-N 413.348 2.661 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC2)cc1 225468912 GMBJEBQTWRKLKB-GOSISDBHSA-N 404.507 2.880 0 50 HFAA Cc1ccnc(-n2nccc2NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1 471922654 GTGMTIMMVHQJKS-UHFFFAOYSA-N 406.494 2.773 0 50 HFAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@H](c5ccccc5F)N(C)C)(C4)C2)C3)n1 952971660 UGMFPBWGCXGTLJ-JKRFYEHLSA-N 412.513 2.588 0 50 HFAA CCCO[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 952987933 HLFBOOUAQNUKJK-IBGZPJMESA-N 418.534 2.974 0 50 HFAA COc1ccccc1-n1cc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cn2)cn1 1704354659 IBEWLASVYFVVSN-MRXNPFEDSA-N 407.474 2.921 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)c1ccc2c(c1)OCO2 1857712785 HMYOWUSLWBARLR-KCXPTXFHSA-N 412.511 2.886 0 50 HFAA CCC[C@]1(CO)CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@H]1O 1875244057 KQHPPLFLSIJESC-FGZHOGPDSA-N 410.002 2.698 0 50 HFAA COc1cccc(CCn2nnnc2N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 1875322765 GSYSJTRXIVEDFI-UHFFFAOYSA-N 419.485 2.989 0 50 HFAA O=C(c1cc(-c2ccc3c(c2)OCCO3)[nH]n1)N1Cc2ccccc2C[C@H]1CCO 2325829417 JMEJZJHOTDAYBI-GOSISDBHSA-N 405.454 2.797 0 50 HFAA CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H](Cc4ccccc4)C(=O)O)ccc1c23 816448 TXSBMLZDZBAKCN-KRWDZBQOSA-N 424.478 2.794 0 50 HFAA CCNC(=O)C[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 1127927 XUSGHKBULPVROE-KRWDZBQOSA-N 409.442 2.587 0 50 HFAA COC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2OC)cc(C(=O)OC)c1 1158475 YIOMYOZGNNXNPA-UHFFFAOYSA-N 403.387 2.538 0 50 HFAA COc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 2988504 SSGVNPCMYIYLNZ-UHFFFAOYSA-N 408.545 2.511 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)[nH]n1 12301295 VWBYQEIERFMASX-GOSISDBHSA-N 418.563 2.580 0 50 HFAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCC[C@H](CO)C1 12309006 SDKABUHLJNBFMC-IBGZPJMESA-N 409.530 2.970 0 50 HFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(OC[C@@H]2CCCO2)cc1 12406145 WMXATLZDEFBCIY-IBGZPJMESA-N 410.470 2.969 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNC3CCCCC3)cc2)CC1 12439067 JNZKPCNPXSQASE-OAQYLSRUSA-N 404.551 2.734 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC(CCC(=O)Nc2cccc(OC)c2)CC1 12572130 RITPYZYGQDTBPZ-UHFFFAOYSA-N 405.495 2.789 0 50 HFAA CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCCCC1 16647475 IIECGAUTVSPIQZ-UHFFFAOYSA-N 405.545 2.908 0 50 HFAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C2CCOCC2)CC1 20119530 ADDPQLJTYCDTBC-UHFFFAOYSA-N 413.511 2.566 0 50 HFAA CCCO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC(C)(C)C)n2CCOC)C1 55042425 KQWPOZROURNRHU-GOSISDBHSA-N 415.600 2.740 0 50 HFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 65364406 HHUQGGFCMKKHRB-UHFFFAOYSA-N 424.505 2.858 0 50 HFAA CC(=O)c1csc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c1 170593277 QMSTVCDOIARIHX-KRWDZBQOSA-N 418.540 2.948 0 50 HFAA O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1ccc(OC[C@H]2CCCO2)cc1 241809997 SCHPEASEUGOUCZ-IOMROCGXSA-N 403.523 2.867 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 253487709 OKWVSEAJCQWYPN-VQPPSCEASA-N 423.513 2.642 0 50 HFAA Cc1ccc(-c2nn3ccn(CC(=O)Nc4ccccc4C)c(=O)c3c2CO)cc1 263615177 BAEWZWXDLBGMGQ-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA CCC[C@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 299770325 PXUXFRYUUPCYCK-NZQKXSOJSA-N 415.534 2.874 0 50 HFAA COc1ccccc1C1=C/C(=C(\O)N=c2cc(C)[nH]n2[C@H]2CCS(=O)(=O)C2)N=N1 334159209 DTTVGTSYXYTZSS-AHPCIOCGSA-N 415.475 2.628 0 50 HFAA Cc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)COCc3ccccc3)C2)c1Cl 828022242 XXILAKPBKKDNGP-MRXNPFEDSA-N 404.898 2.557 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccc(F)cc2)C1 1857686366 SHWARAYKLDLVIW-JCTONOIOSA-N 417.569 2.697 0 50 HFAA COCc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc2c1OCOC2 2325721440 HVUZRHBMYMGPJK-UHFFFAOYSA-N 407.444 2.815 0 50 HFAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N(CCO)CCOc1ccccn1 2325727196 JEXQUSYAQJYFNO-UHFFFAOYSA-N 419.388 2.974 0 50 HFAA Cc1ncsc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2onc(Br)c2C)C1 2325829983 XHSTWIMCARKCKL-XVKPBYJWSA-N 413.297 2.543 0 50 HFAA O=C(NCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br 2898754 WDNZYTIPNAVMLK-LFIBNONCSA-N 423.694 2.982 0 50 HFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)n1 11697305 HORVOVJNOZNOKZ-UHFFFAOYSA-N 424.530 2.576 0 50 HFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cccn1 12716837 FDEDLMAMQZUPFJ-HXUWFJFHSA-N 415.557 2.715 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(C)c1)CC2 14531514 BDXRNHFCKUIXRO-UHFFFAOYSA-N 422.529 2.835 0 50 HFAA CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2nccn2C)C1 14536611 DBYUMOUGIKLXLB-ZWKOTPCHSA-N 402.514 2.849 0 50 HFAA O=C(NC1CCCCCCC1)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CC2)c1=O 14970290 CZZNVSOHXULKNC-SFHVURJKSA-N 415.534 2.762 0 50 HFAA O=S(=O)(CC1CC1)c1ncc(CN2CCC[C@@H](CO)C2)n1CC1CCCCC1 15068944 FFHDIMGLXAZRKX-LJQANCHMSA-N 409.596 2.851 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nnc([C@H]2CCCO2)s1 44903883 CRJQNEYPLWYNQA-CQSZACIVSA-N 417.878 2.905 0 50 HFAA CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)CC1 169769366 YGVZMFQQSVLGTN-SFHVURJKSA-N 408.462 2.634 0 50 HFAA CC(C)[C@H]1CN(C(=O)CNC(=O)/C=C/c2ccco2)CCN1C(=O)OC(C)(C)C 170602420 LQQNDSSXXQGCRD-KBOKABMXSA-N 405.495 2.513 0 50 HFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1O 225616703 DOEFYCBZTRGKQH-LBPRGKRZSA-N 418.471 2.586 0 50 HFAA Cc1nnc2n1CCC[C@@H]2NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 229429978 PRZIHGXEYTWETM-DCGLDWPTSA-N 402.474 2.996 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239203316 SCZZHUCHTIMFSN-XJZRSSJFSA-N 400.862 2.729 0 50 HFAA COC(=O)[C@H](CCSC)NC(=O)C1CCN(c2nc(C)c3ccccc3n2)CC1 299764154 WXDFCYONQQQLNM-SFHVURJKSA-N 416.547 2.566 0 50 HFAA CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 328595933 KXSCCHTWADFROD-JTQLQIEISA-N 405.297 2.634 0 50 HFAA Cc1nc(Cn2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)nn2)no1 492137444 YRJIKKNKEJPKKF-LJQANCHMSA-N 400.442 2.806 0 50 HFAA C[C@H](OC(=O)c1c[nH]n2c1nc(=O)c1ccccc12)c1nnnn1C1CCCCC1 787657770 LIAPNNIMGXMBQU-LBPRGKRZSA-N 407.434 2.586 0 50 HFAA c1ccc(CN2CCC(N=c3[nH]c(-c4cn([C@@H]5CCOC5)nn4)cs3)CC2)cc1 2325872414 WQZZRWCWWWWYEA-GOSISDBHSA-N 410.547 2.861 0 50 HFAA N=c1[nH]nc(-c2ccc(-c3ccc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)cc3)o2)[nH]1 2356147982 BBNWFOCFENZFQH-QFBILLFUSA-N 401.426 2.532 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 2356156427 BEUYJWJFVKFGRI-UHFFFAOYSA-N 415.511 2.803 0 50 HFAA COc1cc(S(=O)(=O)NCCc2ccccc2)c(OC)cc1Br 887319 UTRGANQIGFOJSG-UHFFFAOYSA-N 400.294 2.987 0 50 HFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1152730 UWLWYXCFWOBTAD-ONNFQVAWSA-N 400.456 2.852 0 50 HFAA COC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 2172652 AHYPDFXHKZEJDR-YWZLYKJASA-N 423.469 2.683 0 50 HFAA COC(=O)c1ccc(N2C(=O)C[C@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 2728260 LWSBRQIJUJTXAJ-KRWDZBQOSA-N 409.467 2.957 0 50 HFAA CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC 4764772 HGGMIQWSRCIBEM-VQTJNVASSA-N 412.486 2.982 0 50 HFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(I)cc2)n1 11903354 GKFDXRMBWGSUAL-UHFFFAOYSA-N 415.256 2.668 0 50 HFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 12406176 MVQBMSUJIIAFKE-NRFANRHFSA-N 410.470 2.969 0 50 HFAA Cc1cc(C)nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12582979 ZMQCVBCJEJCKAG-UHFFFAOYSA-N 408.502 2.803 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccc(F)c(F)c1)C3 14984227 YGOUTYSJCFOSJR-CQSZACIVSA-N 418.513 2.945 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 19799688 VZEPPTAEGDPNTN-UHFFFAOYSA-N 413.906 2.654 0 50 HFAA Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(-n2ccnc2)n1 67601928 WVIZMDGTBDUHKR-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA Cc1nc2c(cc1C(=O)Nc1ccccc1Cl)c(=O)[nH]c(=O)n2Cc1ccco1 67640823 IFYLQAVUUMIFRQ-UHFFFAOYSA-N 410.817 2.940 0 50 HFAA COc1cccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)c1 100129870 TUVDRYYCBURZEA-HXUWFJFHSA-N 413.905 2.798 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 100652117 GJVZDPOWAADTNV-XYYCENQHSA-N 409.482 2.861 0 50 HFAA C[C@@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)NC(=O)NCc1ccccc1 222026787 ZEHBYIDIRYBJJF-OCVPHOEPSA-N 414.502 2.666 0 50 HFAA C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CCN(C)CC1 230510252 JOAZZZHFMDEEBU-JTQLQIEISA-N 406.118 2.753 0 50 HFAA FC(F)(F)CN1CC[C@@H](CNCc2ncc(I)s2)C1 241371382 MNCZPFZHNVAAET-QMMMGPOBSA-N 405.227 2.722 0 50 HFAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCCN(C(=O)C2CC2)C1 252570832 XJGKFGBBUBQQJU-JXHRLWIKSA-N 402.510 2.664 0 50 HFAA COc1ccc(-c2nn3ccn(C[C@@H]4COc5ccccc5O4)c(=O)c3c2CO)cc1 263616014 GLRJSKMACKBFOV-QGZVFWFLSA-N 419.437 2.504 0 50 HFAA CC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1C)c1nnc2n1CCCCC2 431813480 WMYHEJXXLWINMF-MRXNPFEDSA-N 413.526 2.817 0 50 HFAA CC(C)n1c([C@@H](C)NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089375 XUSSRWJHDNJTIP-RDTXWAMCSA-N 419.485 2.935 0 50 HFAA Oc1nc2ccccc2cc1CN[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 952987375 NHHHJFSPIITNSJ-KOXWRSSLSA-N 400.526 2.598 0 50 HFAA CN1CC[C@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(Cc3cccc(F)c3)CCO2)C1 1857709208 LACIZHHXFJPJSL-VLHNPEIBSA-N 415.553 2.892 0 50 HFAA CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2nc[nH]c3nccc2-3)CC1 1875327764 KKNIHZQFZAUJBB-UHFFFAOYSA-N 404.396 2.932 0 50 HFAA CC[C@](C)(O)c1cn([C@H]2CC[C@@H](C(=O)NC3(C(=O)O)CCC(C)CC3)CC2)nn1 1875354091 QQQMJMSQSVWJOI-IIRSRKKQSA-N 406.527 2.777 0 50 HFAA CO[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2nn3ccccc3c2C)[C@@H]1C)c1ccccc1 2325839098 ITVWBBHZZXZOOY-HGHGUNKESA-N 406.486 2.750 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1ccc3scnc3c1)C[C@H]2O 2356150345 YCQPANGPTMRGLD-XMXZMMKCSA-N 421.522 2.649 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(O)[C@H]2C(C)=O)OCO4)cc(OC)c1OC 5167216 VHXQZFORACMZMV-RZUBCFFCSA-N 416.426 2.879 0 50 HFAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12281835 MZOJOYDOUJREQM-KRWDZBQOSA-N 423.492 2.732 0 50 HFAA Cc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 12456681 IKUUKAAAUHNYCU-UHFFFAOYSA-N 408.481 2.943 0 50 HFAA O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 18250440 BVSFUMVOSNOWCE-AWEZNQCLSA-N 403.232 2.600 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)s1 20166965 XUZIYTXDVCZTOG-VQIMIIECSA-N 417.579 2.556 0 50 HFAA CO[C@@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 20999250 UVPBGZNDXZMLAG-AEVNEEFTSA-N 424.545 2.757 0 50 HFAA Cc1cc(-c2cnc(S(C)(=O)=O)nc2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)on1 21982192 IKUAWEWJJXKPKQ-ZDUSSCGKSA-N 422.507 2.958 0 50 HFAA COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 27619134 HYOHKXGCEWCBKE-CNAXQHPCSA-N 404.503 2.630 0 50 HFAA in-vitro O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32071848 WEERCGNFZBKQLG-CQSZACIVSA-N 404.396 2.676 0 50 HFAA CCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)[nH]n1 95374549 YTUUQDDWRMIWKR-UHFFFAOYSA-N 402.445 2.905 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO 97499721 IRTGNKBIRGWDNY-NRFANRHFSA-N 421.541 2.996 0 50 HFAA COc1cccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1 245297658 WDGWHTOEYOJRNE-JPAWQOSXSA-N 406.475 2.638 0 50 HFAA biogenic Cc1ccc([C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H](C)S(C)(=O)=O)cc1 436349281 CDKVQIZWALLTLF-TZMCWYRMSA-N 410.565 2.862 0 50 HFAA CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)c1ccccc1 496446461 BTFXKRFEJDQDSS-LEDOBFOHSA-N 411.546 2.892 0 50 HFAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)[C@H](C)Cn3cccn3)CC1)CC2 824616741 UWYRJLLCVWGTDE-QGZVFWFLSA-N 412.534 2.586 0 50 HFAA CSc1nn2c(=O)cc(CN3CCC[C@@H](c4nc(C(C)C)no4)C3)nc2s1 1506421381 FWZQFQYTABCFDN-LLVKDONJSA-N 406.537 2.759 0 50 HFAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl 1529133672 BYFOVRUJFTXSLT-WOJBJXKFSA-N 421.877 2.940 0 50 HFAA COc1ccc(F)c(F)c1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857675162 MMLVDQKMUUZAIR-NRFANRHFSA-N 402.397 2.863 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4cc(C)no4)CC3=O)sc2c1 1857699393 SSEORYCTHPPQMU-LBPRGKRZSA-N 400.460 2.661 0 50 HFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 1857720046 BNMGZPVGIPWPTP-QGZVFWFLSA-N 407.518 2.609 0 50 HFAA Cc1ccncc1C(=O)NC[C@H]1[C@H]2CN(c3ccc4c(n3)CCC4)C[C@]23CC[C@H]1O3 1875245752 OWMKYGFLHYRMLT-YWQGAKJTSA-N 404.514 2.688 0 50 HFAA O=C(CN(CCO)Cc1ccc(Cl)cc1)NC[C@@H]1CCN(c2ccccc2)C1 1875262861 ORUOWARTVBUIJY-IBGZPJMESA-N 401.938 2.777 0 50 HFAA CS(=O)(=O)CCC(=O)Nc1nc(-c2cc3c(cc2Cl)OCCO3)cs1 2100473585 HIZCEJIQLAHWDP-UHFFFAOYSA-N 402.881 2.608 0 50 HFAA Cc1cc(N2CCNC2=O)ccc1NC(=O)NC[C@H](O)Cc1cccc(Cl)c1 2325872791 NFOLDWJSCVEHTG-QGZVFWFLSA-N 402.882 2.903 0 50 HFAA CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 677131 TUOOQJPSFKBDIA-UHFFFAOYSA-N 418.515 2.848 0 50 HFAA CCOc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 898804 ILMNYYUTPUOERC-ZWKOTPCHSA-N 415.449 2.562 0 50 HFAA O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1074407 PKSAODJTRJMMEV-UHFFFAOYSA-N 409.305 2.596 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CCc2ccccn2)n1CCOC 11819321 NUBMHWCXYPPXNJ-IBGZPJMESA-N 420.579 2.705 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(O)nc4)C3)C2)c1OC 12072858 RZLDUTXXBCZDAX-HSZRJFAPSA-N 411.502 2.933 0 50 HFAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2 12281687 GRPNJVCIBWRNRW-KRWDZBQOSA-N 423.492 2.732 0 50 HFAA C[C@@H](Cc1ccccn1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12305444 NALSPWWOPASWLQ-FQEVSTJZSA-N 421.589 2.900 0 50 HFAA Cc1nonc1CN(C)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 12458953 AWVTXLOXKHJSJW-NRFANRHFSA-N 410.518 2.882 0 50 HFAA Cc1nn([C@@H](C)C(=O)Nc2cnn(C)c2C(=O)N2CCCCC2)cc1Br 13960154 JAUJOLDYTAWZGG-LBPRGKRZSA-N 423.315 2.513 0 50 HFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 19533872 BMSUQUZOWWHKED-UHFFFAOYSA-N 404.532 2.909 0 50 HFAA COc1ccccc1N1CCN(C[C@H]2CN3C(=O)N(C)c4ccccc4C3=N2)CC1 22454193 OULFYKAESNCMFJ-KRWDZBQOSA-N 405.502 2.518 0 50 HFAA in-vitro O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1cccc(Cl)c1 44918456 ITVCHLFLTSBHJB-UHFFFAOYSA-N 423.904 2.862 0 50 HFAA O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 682809917 CDFILOFLSXAQTC-LJQANCHMSA-N 402.926 2.823 0 50 HFAA CCOc1cc(CN(C)CC2CCN(CCOC)CC2)ccc1O[C@@H](C)C(=O)O 1506405866 XKQRIUXUPQIXNN-KRWDZBQOSA-N 408.539 2.727 0 50 HFAA COCCc1noc([C@H]2CCCCN2C(=O)c2cnc(N)nc2-c2ccccc2)n1 1506418801 TUMUYCPCOFNLKJ-MRXNPFEDSA-N 408.462 2.665 0 50 HFAA CCCCN1C[C@@H]2CN(C(=O)CCC(=O)Nc3cccc(CC)c3)C[C@]2(CO)C1 1772810137 JIGWXTVKERBZBB-XXBNENTESA-N 401.551 2.521 0 50 HFAA CN1CCN(C(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)CCC1=O 1857733911 FIUHEVZYMSUZNG-CQSZACIVSA-N 404.898 2.778 0 50 HFAA COCc1cccc(C(=O)N2CCC3(CCCN3C(=O)c3cncc(O)c3)CC2)c1 1875331003 KZUVGQPDSURBAR-UHFFFAOYSA-N 409.486 2.845 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(F)c1 2325819810 QQUWCHBPUDCCJP-GDBMZVCRSA-N 404.463 2.549 0 50 HFAA COC(=O)C1(CCS(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CCOCC1 2325820450 XCCNIQMKHXXSDE-JCNLHEQBSA-N 415.939 2.865 0 50 HFAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1109997 RCKVALIZFQTEJH-HNNXBMFYSA-N 406.529 2.827 0 50 HFAA CC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 1117857 SBHTVPZIHOZPMN-GOSISDBHSA-N 400.456 2.516 0 50 HFAA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c(OC)c1 1209010 HKGDSQFJTWZECT-HNNXBMFYSA-N 410.426 2.731 0 50 HFAA COc1ccc(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC 5099718 PXSZFJAFLOESNE-UHFFFAOYSA-N 418.515 2.606 0 50 HFAA biogenic CN(C)C(=O)c1ccc(N2CCC(NC[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 11790281 SHUJNSPEYVPLQT-LJQANCHMSA-N 422.577 2.653 0 50 HFAA O[C@@H](COc1cccc(CNCCCn2cccn2)c1)CN1CCc2ccccc2C1 11817784 MZCLLPOTHSHWHF-XMMPIXPASA-N 420.557 2.861 0 50 HFAA CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 11818943 NHYXEHRLFDHBCG-UHFFFAOYSA-N 405.414 2.637 0 50 HFAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)CCC(=O)N(C)C)C2 11870849 KWAUQIQPFRDCKO-QGZVFWFLSA-N 424.497 2.737 0 50 HFAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCc3ccccc3)c2)CC1 11946705 UOCZTKTZEQZENH-UHFFFAOYSA-N 416.543 2.852 0 50 HFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cn3ccnc3)C2)cc(OC)c1 12316418 NSBFUKYRXRCQRH-MRXNPFEDSA-N 400.479 2.558 0 50 HFAA COc1cccc(NC(=O)CCC2CCN(C(=O)CCN3CCCC3=O)CC2)c1 12715453 RLVKLJFZWSBDPV-UHFFFAOYSA-N 401.507 2.665 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2)CN1Cc1cc(Cl)ccc1O 14989738 LRRSGYWUDYDKNC-ROUUACIJSA-N 402.878 2.900 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 18250490 PXYSFNAOMMSAPS-LJQANCHMSA-N 412.486 2.909 0 50 HFAA Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3cccc(Cl)c3)n2)cc1 20394202 BOWHLIASTRKHAA-UHFFFAOYSA-N 414.849 2.623 0 50 HFAA CC1(C(=O)N2CCc3ccc(S(=O)(=O)NCCOc4ccccc4)cc3C2)CC1 77440292 PXXREFRWYOOALL-UHFFFAOYSA-N 414.527 2.729 0 50 HFAA O=C(c1ccco1)N1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 169775552 FOWQTPUJGJCWNO-UHFFFAOYSA-N 402.414 2.749 0 50 HFAA CCOC(=O)c1ccc(N2CCN([C@H](C)c3ncc(Br)cn3)CC2)nc1 225520634 DVFGRZHAFSAUQR-CYBMUJFWSA-N 420.311 2.694 0 50 HFAA C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 249688656 IJEUYCKUOGSQPS-KCPJHIHWSA-N 424.375 2.527 0 50 HFAA COc1cn(CC(=O)NCCn2ccc3cc(Br)ccc32)c(C)cc1=O 253407894 KGVKWSQYSPYFKY-UHFFFAOYSA-N 418.291 2.699 0 50 HFAA COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)[nH]1 952887996 JBSCSGXWIZKRRA-IBGZPJMESA-N 408.458 2.818 0 50 HFAA COc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 1506398720 RZXIGMLAWCMDKL-LBPRGKRZSA-N 414.936 2.993 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C)C[C@@H]3CN(Cc4ccccc4)CC(=O)N23)cc1 1857691019 SEXQLRFPWUPZQA-KJXAQDMKSA-N 407.514 2.557 0 50 HFAA COc1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1Oc1cccc(OC)c1CN 1857693693 IETSZNYRJXCOKD-UHFFFAOYSA-N 410.474 2.993 0 50 HFAA OCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(Cc2ccncc2)CC1 1857695881 CIUMBENVFAFYLY-UHFFFAOYSA-N 415.541 2.845 0 50 HFAA COc1ccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c(OC)c1 1857733251 BHVXYPODNJBMQI-NOXFTYBFSA-N 408.454 2.618 0 50 HFAA CO[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)C[C@H]1NC(=O)CCN1CCCCC1 1875337265 VGBHPBASPZYXAL-XPNTWCBSSA-N 415.578 2.644 0 50 HFAA COC(=O)[C@@H](NC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(C)(C)O 1875383294 NWSJIONYGQHHAI-HXUWFJFHSA-N 415.486 2.613 0 50 HFAA COc1ccc(-c2c(-c3oc(C)cc(=O)c3O)cnn2[C@@H]2CCS(=O)(=O)C2)cc1 2049513444 VLTZCDVACGLUPR-CQSZACIVSA-N 416.455 2.553 0 50 HFAA Cc1cc(C)c2c(NC(=O)C[C@@H]3COc4ccc(C(=O)N(C)C)cc4N3C)n[nH]c2n1 2100557672 YSPNNVXRCCZAKX-OAHLLOKOSA-N 422.489 2.503 0 50 HFAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2c(O)cccc2C1 2356145063 ZDKRVCLFVQFOFY-MTJJIEKYSA-N 403.482 2.609 0 50 HFAA O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1136819 WBMGBKWWPSEYGI-UHFFFAOYSA-N 407.319 2.687 0 50 HFAA COC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4764017 UKSHMMNPSXEPKW-WOJBJXKFSA-N 410.470 2.688 0 50 HFAA Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCN1CCCC1 5058118 FKYHHKNLGIQSIX-HHHXNRCGSA-N 409.939 2.764 0 50 HFAA aggregator Cc1noc(C)c1S(=O)(=O)NCc1nc(N2CCCC2)c2cccc(C)c2n1 12191557 GNUKANWOUKVDTA-UHFFFAOYSA-N 401.492 2.622 0 50 HFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C2CCCC2)C1 14748754 RKOSYANERWJNCB-JOCHJYFZSA-N 415.578 2.570 0 50 HFAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72115583 JQMRMERXTSUWBL-UHFFFAOYSA-N 418.501 2.821 0 50 HFAA CN(Cc1cccnc1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82148017 MASFZVNZPPYGNH-JOCHJYFZSA-N 407.562 2.812 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nccc(NC(C)C)n1)C2 95356613 QMCZWZULWFOLQV-KNKQGSTJSA-N 403.571 2.641 0 50 HFAA CC(=O)Nc1cccc(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 169778417 GOOFVXCZTDYKCD-UHFFFAOYSA-N 400.442 2.988 0 50 HFAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244882655 XVYDQCGVGVRYEX-FZNQNYSPSA-N 419.888 2.805 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cscn2)CC1 299789427 WMNKPSAUHRDWOM-FQEVSTJZSA-N 419.522 2.596 0 50 HFAA CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@H]1CCCN(c2ccccc2)C1=O 303599651 AEXQQHQFWCMJDL-NRFANRHFSA-N 416.481 2.564 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)s1 474422330 QPXLXJCMROVDRL-SXGIVHELSA-N 420.600 2.789 0 50 HFAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 776567548 IAILYIKUGVOAMN-CQSZACIVSA-N 418.544 2.785 0 50 HFAA CC[C@]1(C(=O)NCc2cccnc2)C[C@H]2CC[C@@H]1N2c1nnnn1-c1ccccc1 1704342227 KVXUMZUZDCQVCH-DXIQSLLYSA-N 403.490 2.511 0 50 HFAA CCCCc1nc(CN2C[C@@H]3CN(C(=O)c4ccccc4)C[C@]3(CO)C2)c(Cl)[nH]1 1772807841 CFKOEOSFAURYEY-VGSWGCGISA-N 416.953 2.972 0 50 HFAA Cc1ccc(-c2nccn2C[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc1 1857713287 SSADOOFARTZYLJ-NRFANRHFSA-N 423.561 2.603 0 50 HFAA FC(F)(F)Oc1cccc(-c2nc(Cn3cncn3)nn2CCN2CCCCC2)c1 1875341130 HMVUTTUEZPVSOR-UHFFFAOYSA-N 421.427 2.969 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3c(cccc3C(F)(F)F)[C@@H](C(=O)OC)C2)C1 1875371815 MQXZEZKGHFFMAE-BBRMVZONSA-N 424.419 2.729 0 50 HFAA CCn1cc(C(=O)NCCC(C)(C)C)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726626 WGFRGCTXYKUBMH-UHFFFAOYSA-N 402.514 2.736 0 50 HFAA CS(=O)(=O)CCCS(=O)(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820308 NOCOGHFJPWIABQ-UHFFFAOYSA-N 414.376 2.813 0 50 HFAA COc1c(F)cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc1F 2356147475 XXLLZACULHVSMI-NRFANRHFSA-N 402.445 2.950 0 50 HFAA O=C(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4393887 ODVIQAMYOJFGSG-UHFFFAOYSA-N 412.414 2.561 0 50 HFAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(O)cc2)cc1 4626154 UTEDSUKNAHGHIO-UHFFFAOYSA-N 415.453 2.665 0 50 HFAA Cc1occc1C(=O)Nc1cnn(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1 11790654 SGZPPPACFYAOAG-LJQANCHMSA-N 423.473 2.640 0 50 HFAA O=C(c1cnc(O)cn1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11841415 TYOAGZZGMPURQF-HNNXBMFYSA-N 402.445 2.835 0 50 HFAA COc1ccc(CCN2C(=O)N[C@](C)(C3CCN([C@@H]4CCSC4)CC3)C2=O)cc1 11842018 XNXYSORMOBPIHU-XMSQKQJNSA-N 417.575 2.766 0 50 HFAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1)[C@H]1COc2ccccc2O1 12132511 OURPCUKCIMBORV-FOIQADDNSA-N 407.401 2.542 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc(OC)c1 12209208 AJGKAOHRAUNGAV-KRWDZBQOSA-N 419.522 2.689 0 50 HFAA COc1cccc(CNc2ncnc3sc(C(=O)N[C@H](C)CO)c(C)c23)c1OC 12212926 OXIJEMMDYUZXDJ-LLVKDONJSA-N 416.503 2.740 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4snnc4C)C3)C2)c1OC 12581557 GAVJICDNADQKTL-NRFANRHFSA-N 416.547 2.992 0 50 HFAA O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@H]1CCCCNC1=O 14888660 KUOACMADALWMIB-RDPSFJRHSA-N 407.514 2.596 0 50 HFAA COc1ccc(OC)c(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1 15004624 MCDPQZUOIJWQBR-SFHVURJKSA-N 413.522 2.805 0 50 HFAA CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)N2CCCCC2)C1 17088014 OLMAYDNQMPMXLJ-ZDUSSCGKSA-N 408.520 2.929 0 50 HFAA CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2cc(F)cc(F)c2)CC3=O)CC1 20102038 UHZHPXSPTROSQH-CQSZACIVSA-N 416.428 2.946 0 50 HFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 21793584 STUCSNJCFRODRY-UHFFFAOYSA-N 404.312 2.576 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@@H]4COCCO4)co3)cc2c1 67758534 XBSSSHAPFLPNDF-LJQANCHMSA-N 412.442 2.903 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239046902 FYZPPMGIDXBSOF-CYFOAMCXSA-N 407.466 2.551 0 50 HFAA COc1ccccc1CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 253429592 NWHIDQOYMDDNIC-RYRKJORJSA-N 405.539 2.935 0 50 HFAA O=C(NCCc1ccccn1)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409413930 LRACGXWFBJUKKE-NRFANRHFSA-N 414.465 2.640 0 50 HFAA COC(=O)Cc1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C 473488223 NPCVAGASIZNBJY-UHFFFAOYSA-N 402.472 2.503 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 952988214 OUWVHZLZQJKWDF-LJQANCHMSA-N 405.458 2.909 0 50 HFAA CCCCc1nc(CN2C[C@@H]3CN(C(=O)c4ccccc4)C[C@@]3(CO)C2)c(Cl)[nH]1 1772807840 CFKOEOSFAURYEY-VGOFRKELSA-N 416.953 2.972 0 50 HFAA COc1ccccc1Cc1nc([C@@H]2CCCN(C(=O)CO)CC2)n(C(C)(C)C)n1 1772808309 MJKDTRXOVDSKJH-MRXNPFEDSA-N 400.523 2.721 0 50 HFAA O=S(=O)(CCOc1ccccc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857700950 DMLKRLQJLSMIJO-NNWRFLSQSA-N 401.528 2.853 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(F)c2F)C1 1857703395 KKPROCBDAUJGFI-SELNLUPBSA-N 421.532 2.794 0 50 HFAA CC(C)CN1C(=O)[C@@]2(CCN(C(=O)CNC(=O)c3ccccc3)C2)c2ccccc21 2100534533 MTKGRLZOBYWTGQ-XMMPIXPASA-N 405.498 2.589 0 50 HFAA COc1cccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1OC 795493 PDIZRAMYMRAKLO-UHFFFAOYSA-N 412.530 2.937 0 50 HFAA CCOC(=O)[C@@H]1CCCN(Cc2cc(I)c(O)c(OC)c2)C1 4988092 OTNQYEDDFJUWEP-GFCCVEGCSA-N 419.259 2.781 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1 11963761 UBLIBZCGAOXKBX-SPLOXXLWSA-N 404.894 2.574 0 50 HFAA COC(=O)c1sc2nc(CN3CCC(CO)CC3)ccc2c1NC(=O)C(C)C 11964205 MFWWYGGAJGLPQA-UHFFFAOYSA-N 405.520 2.882 0 50 HFAA COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)ccc1F 12020622 IMBZQGWCRBOMEB-CQSZACIVSA-N 413.453 2.568 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)Cc2cccnc2)c1 12434975 CILPCFNPVQZKSA-INIZCTEOSA-N 411.502 2.841 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1F 13590994 DSVCSZTWDQSWBX-ZPBCLNFZSA-N 422.481 2.937 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1OC)C2 14749684 JYROOVIJUDHIBK-KRWDZBQOSA-N 414.575 2.748 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cc2nonc2C)C1 14969040 ZGRFNYLCZNGGMD-FQEVSTJZSA-N 407.417 2.613 0 50 HFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CNC(C)=O)O3)c1 14994955 LDJWTGRWTIBZMZ-INIZCTEOSA-N 418.877 2.580 0 50 HFAA O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCOCC1 19337420 MQWZFNMIOWAUEJ-UHFFFAOYSA-N 424.316 2.895 0 50 HFAA CCN1CCC[C@H]1CN(Cc1cnc(SC)nc1)CC1CCN(CCOC)CC1 20537731 XLXKTFDKMIALIV-NRFANRHFSA-N 421.655 2.843 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(OC)c(C)c3)C[C@H]2C(=O)NCC)CC1 20913655 WQDSNZZPIPGLTN-UNMCSNQZSA-N 416.610 2.547 0 50 HFAA CN(c1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1)S(C)(=O)=O 65364257 AHXDJWRXYCZQPO-UHFFFAOYSA-N 401.488 2.571 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)on1 77469805 MTJMTLQQKNPFES-GJPOJAMWSA-N 407.470 2.545 0 50 HFAA O=C(NCCCn1cccn1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91254709 AINLLVKXPGSYDQ-UHFFFAOYSA-N 406.273 2.684 0 50 HFAA COc1cc(CN(C)Cc2cc[nH]n2)ccc1OC[C@H](O)CN1CCCCCC1 95521306 ZHWDVAOWGFDRBR-HXUWFJFHSA-N 402.539 2.666 0 50 HFAA COc1ccc(C2(C(=O)NCc3cccnc3-n3ccnc3C)CCOCC2)cc1 920290820 GNHMRBKRONCECP-UHFFFAOYSA-N 406.486 2.949 0 50 HFAA Fc1ccc(-c2n[nH]cc2CN[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 952861941 JCJMYEMGUUUOFI-FMGHMSBISA-N 417.532 2.873 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 952987840 ONKGPIWWLUGJSG-CYBMUJFWSA-N 414.425 2.812 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1n[nH]c(C)c1Cl)C2 1857684165 BGHKQVYABWHFLR-CBGDNZLLSA-N 424.973 2.628 0 50 HFAA N=c1[nH]c(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cs1 1857709928 YWEPAIJVWBMKQX-LLVKDONJSA-N 405.911 2.926 0 50 HFAA COc1ccccc1/N=c1\scc(-c2cnn(C)n2)n1CCC1(O)CCOCC1 1875255796 OOGGGGJBRQYLJS-QOCHGBHMSA-N 415.519 2.518 0 50 HFAA CCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1OCC 2868253 LOCFGDUKQSATNF-UHFFFAOYSA-N 419.474 2.643 0 50 HFAA Cc1nc([C@H](C)NC(=O)CCCn2nnnc2CN2CCC(C)CC2)c(C)s1 12456200 NDIFOPNLULGNNS-AWEZNQCLSA-N 405.572 2.636 0 50 HFAA O=C(NCc1cc(F)cc(F)c1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12580026 CJAMYEVVRFMMPX-KRWDZBQOSA-N 405.489 2.694 0 50 HFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccccc2C)CC3)cc1 14959835 ZHSZZUQTBNCDMF-UHFFFAOYSA-N 419.529 2.626 0 50 HFAA O=C1C[C@H](c2cccc(Cl)c2)Cc2c1cnc1nc(N3CCOCC3)[nH]c(=O)c21 19973973 AHSOEIQJVBXGKI-CYBMUJFWSA-N 410.861 2.721 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2 20911438 AXUQMBDDHFNTNU-LBPRGKRZSA-N 419.407 2.838 0 50 HFAA COc1cc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)cc(OC)c1 55060583 JAUDVFAZECKTPP-QHCPKHFHSA-N 400.519 2.868 0 50 HFAA O=C(COCc1ccccc1)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91663221 AKCICGPTTVBFQI-HXUWFJFHSA-N 400.519 2.613 0 50 HFAA COc1ccc(NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F 170595318 DUCXXXHGEPUBPM-HNNXBMFYSA-N 409.458 2.679 0 50 HFAA CCN(CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)CC(=O)Nc1c(F)cccc1F 240225426 DHSLBSSAOMTLSN-CKEIUWERSA-N 424.492 2.876 0 50 HFAA COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)c1 245257040 VVPRMWMJVLAMRK-RVKKMQEKSA-N 412.339 2.938 0 50 HFAA CC(=O)Nc1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1 263618545 UHBQWSTYQNXRNT-UHFFFAOYSA-N 418.501 2.529 0 50 HFAA COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(N)cnc2n1CCc1ccccc1 299802082 XEISWYCLSDDASE-HNNXBMFYSA-N 408.458 2.623 0 50 HFAA CC(C)(O)CN1CCc2c(cccc2NC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 784733187 XYTUOOCVFBXZDJ-HXUWFJFHSA-N 410.518 2.554 0 50 HFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 821783742 XDHAEYDQWUWUMH-KRWDZBQOSA-N 422.508 2.822 0 50 HFAA Cc1c(Cl)cccc1NC(=O)CC(=O)NC1CCN(C(=O)N2CCCC2)CC1 1506419203 WVKGMUUAHWOGGU-UHFFFAOYSA-N 406.914 2.773 0 50 HFAA Cc1cccc(N(CC(=O)N2CCCC[C@H]2CCn2ccnc2C)S(C)(=O)=O)c1 1506424761 BUTXZPHQAMLXAL-IBGZPJMESA-N 418.563 2.737 0 50 HFAA Cc1cccc(-c2nc(CN3CC[C@@H](O)[C@H](NC(=O)c4cc(C)on4)C3)c(C)o2)c1 1857672461 DTNXJLOIWWGCGP-WOJBJXKFSA-N 410.474 2.620 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(CC)cn1)C2 1857690742 QWRCMUIQGLVCMJ-KIFXHHALSA-N 415.578 2.900 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(CC(F)(F)F)CC1 1857727936 GLHWFGPCTVFPFP-AWEZNQCLSA-N 411.428 2.536 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncc(Cl)cc2F)CC1 1857737173 ZTUMRMXWOKKGLB-UHFFFAOYSA-N 419.888 2.691 0 50 HFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@@H]2CCCc3ccnn32)c1 1875309506 AFSHJZMFIYAWCA-NRFANRHFSA-N 403.486 2.891 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)CC1 1875365448 URRSIBZEQFBGPW-ZDUSSCGKSA-N 400.401 2.653 0 50 HFAA Cc1cc(F)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819610 KUBGIOGIPAMEEE-HOCLYGCPSA-N 404.463 2.549 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccccc3-n3cnnc3)CC1)OCC2 2356136093 GHQQBZQMFOSKGP-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA COc1ccccc1-c1n[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1 6709464 LCPIVELUBXZZKS-UHFFFAOYSA-N 409.515 2.921 0 50 HFAA Cc1nnc(SCc2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)s1 9012798 BXLQRNOPLOCYEO-UHFFFAOYSA-N 400.533 2.549 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4ccc(C)n4)C3)C2)c1OC 11842554 BECIOUJYWQNCRX-QHCPKHFHSA-N 412.534 2.723 0 50 HFAA COCCn1c(CN(C)CC[C@H]2CCCCO2)cnc1S(=O)(=O)CC(C)(C)C 12197718 QHUKOOVZUICJIK-GOSISDBHSA-N 415.600 2.740 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)on1)C2 14542123 BWMZCBDBKPLQIW-UHFFFAOYSA-N 419.485 2.993 0 50 HFAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 17093245 YRAZKTAHLYHGSM-UHFFFAOYSA-N 422.572 2.615 0 50 HFAA Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCC2)cccc1N(C)S(C)(=O)=O 65362277 HMXQECPDLNAWBM-UHFFFAOYSA-N 415.515 2.879 0 50 HFAA Cc1nccn1-c1cc(NCCNC(=O)c2ccccc2Br)ncn1 82230280 XJEOYRIQUZDKMX-UHFFFAOYSA-N 401.268 2.575 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c1 91402368 IPVYFJBVQHXNFE-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 100081945 KDOOIIJQDDHACY-UONOGXRCSA-N 423.903 2.966 0 50 HFAA CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1N 170617712 QRGJDBYTLJAPPW-UHFFFAOYSA-N 424.331 2.627 0 50 HFAA CCOCCCN1CC[C@@H](NCC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 221892513 JIEGBNLZBMECOC-ZWKOTPCHSA-N 418.607 2.682 0 50 HFAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H]3OC)c2)cc1 225469078 YGKRECFUOHGAOJ-OALUTQOASA-N 404.488 2.793 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C 229715062 JHBRDQMEVFMCGE-HKARXFIJSA-N 423.561 2.752 0 50 HFAA C[C@@]1(O)CCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 483048541 YOVGWKAARBCBPI-XMMPIXPASA-N 404.514 2.671 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2ncsc2c1 670433758 WMUIFKAZVVKZKD-VSZUSUSQSA-N 404.539 2.594 0 50 HFAA Cn1cccc1-c1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n[nH]1 1529109524 CNRFUKVHSYSHHJ-IERDGZPVSA-N 401.470 2.951 0 50 HFAA O=C(Cc1ccccc1O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857716612 DTAGMDLHYNRIKM-XMMPIXPASA-N 416.481 2.999 0 50 HFAA O=C(CCc1cc(Cl)no1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857727879 DCBLLFBNQLLCJJ-YRNRMSPPSA-N 401.850 2.562 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCN(Cc2cccnc2)C1 1857732347 MPVLPVAMNCHQPP-INIZCTEOSA-N 408.531 2.952 0 50 HFAA O=C(C[C@H]1Cc2ccc(Br)cc2C1)N[C@H](Cc1ccncc1)C(=O)O 2325877253 NDYHWOVKVLXBJU-SUMWQHHRSA-N 403.276 2.761 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CCn4nccc4C3)CC1)OCC2 2356143489 JWYLLOKSZQXCRY-KRWDZBQOSA-N 411.502 2.553 0 50 HFAA CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 797252 ZGOAEICRZRJFSY-UHFFFAOYSA-N 422.890 2.816 0 50 HFAA COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc(OC)c1OC 956272 WIEFMFGNYKRPCQ-GOSISDBHSA-N 422.445 2.627 0 50 HFAA COc1ccc(-n2c(CNC(=O)Cc3ccc4c(c3)OCO4)nnc2SC)cc1 11790628 IHMNPNSEVSYIMQ-UHFFFAOYSA-N 412.471 2.585 0 50 HFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(C)on2)CC1)c1ccccc1 11933703 SSZFSLFZRSFVLD-FQEVSTJZSA-N 423.473 2.983 0 50 HFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 12386999 OWNRROXGNQUHAY-GOSISDBHSA-N 410.518 2.753 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1n[nH]c2c1CCC2 12443771 ODBKUJRBZFMKAH-GOSISDBHSA-N 422.573 2.866 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 12712405 JUUORQLNUKOIPC-OAQYLSRUSA-N 419.547 2.614 0 50 HFAA CC(C)=CCN1CC(=O)N(CCCN2CCCC2=O)C[C@@H](OCc2ccccc2)C1 14747642 GFTFHTDEOHNRIC-QFIPXVFZSA-N 413.562 2.695 0 50 HFAA CC[C@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 15005187 UVHBUWKMLQDQAP-AWEZNQCLSA-N 415.519 2.655 0 50 HFAA O=C(c1cnc2sccn2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 16648682 RZNBKBRWOPBIAC-UHFFFAOYSA-N 408.405 2.737 0 50 HFAA Cc1cccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)cnn2-c2ccccc2)c1 19790791 MIDPJASMXSPFAS-UHFFFAOYSA-N 403.486 2.821 0 50 HFAA C[C@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1cccc(-n2cnnc2)c1 55393662 AFBOUNDLBCCLRY-HNNXBMFYSA-N 404.474 2.997 0 50 HFAA CC(C)C[C@@H](C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)N1CCCCC1=O 225470416 JCCRZVRPZVBITI-KSZLIROESA-N 407.555 2.739 0 50 HFAA Cc1ccccc1O[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 253430466 ZPPJAAMIFVMJJR-SJLPKXTDSA-N 410.470 2.912 0 50 HFAA CCn1c(O)nc2cc(C(=O)N3c4ccccc4CC[C@H]3CN(C)C)ccc2c1=O 328596559 CETYBKRYROMLTD-KRWDZBQOSA-N 406.486 2.645 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)Cn4cncn4)csc3C2)nc1 426538740 ZLPUQXBADARMPA-OAHLLOKOSA-N 410.547 2.674 0 50 HFAA COC(=O)c1ccc(COC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)s1 757990190 GBRWVRQNZOMJDC-UHFFFAOYSA-N 411.501 2.759 0 50 HFAA O=C(NC1c2ccccc2-c2ccccc21)[C@H]1[C@@H]2CC[C@H]1CN2C(=O)C1(CO)CC1 1857672780 HXJXXSFWGPCYTK-ONGXBYRLSA-N 402.494 2.882 0 50 HFAA NC(=O)CCCn1cc(-n2ccnc2-c2cccc(OCCCn3ccnc3)c2)cn1 1857687470 SISPXVNWBXRCBZ-UHFFFAOYSA-N 419.489 2.667 0 50 HFAA O=C(O)[C@@H]1COC[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1 1857783489 STAXZMVOKJMDQJ-REWPJTCUSA-N 409.438 2.880 0 50 HFAA COc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)c3cocn3)C2)o1 1875340891 XTLHTUAJPHGUMZ-HZPDHXFCSA-N 413.405 2.844 0 50 HFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CC(Oc4cccc(Cl)c4)C3)cn12 2100539334 CXKRTHSKPZLSNR-SFHVURJKSA-N 400.866 2.976 0 50 HFAA CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)O)nn1C)c1ccc(C(F)(F)F)cc1 2325877303 OEIQHYUEEFXWCZ-CQSZACIVSA-N 405.398 2.813 0 50 HFAA Cc1nccc(C2CCN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)CC2)n1 2356151035 NMMRQIYKMNZPAF-UHFFFAOYSA-N 401.474 2.853 0 50 HFAA CN(C)C(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2567744 QXAXLSMKNHJDNM-FQEVSTJZSA-N 424.501 2.844 0 50 HFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 2853014 AWJSUZVPMAFWOL-UHFFFAOYSA-N 402.516 2.945 0 50 HFAA Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1C 2889369 WJPDNKLPSJSWDR-UHFFFAOYSA-N 404.488 2.608 0 50 HFAA c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCO2 4262170 JKCQOMAQPUYHPL-UHFFFAOYSA-N 404.459 2.965 0 50 HFAA in-vitro Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)CC2=O)cc1 4973382 FUHQHVQIHIVTRB-GOSISDBHSA-N 406.486 2.620 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(C)=O 6703681 WCXZUCBPXMOHBQ-UHFFFAOYSA-N 417.531 2.781 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)Cn3cccn3)cc2)n1 11878903 HWCVKXQAWJMFLP-HXUWFJFHSA-N 406.490 2.705 0 50 HFAA Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)CN2C2C3CC4CC(C3)CC2C4)cc1 12167183 NDXUPHUIRZXDPC-DVXIDMMASA-N 420.561 2.738 0 50 HFAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccccc2)C4)cn1 19740685 CUROBYAFKKDVHO-KRWDZBQOSA-N 405.527 2.887 0 50 HFAA CCN(CC)CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 55198213 RMIDLTXNYXKOIK-HXUWFJFHSA-N 402.583 2.540 0 50 HFAA O=C(c1ccc(N2CCc3n[nH]cc3C2)nc1)N1CCCC[C@@H]1CCn1cccn1 67515552 SNWUOPVXMSVTBJ-LJQANCHMSA-N 405.506 2.649 0 50 HFAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1=O 71388662 GFOMAJNXVPGWTB-SFHVURJKSA-N 402.422 2.569 0 50 HFAA CC(C)(N)c1cn(C[C@@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 82039520 DTLUNBYKTSPNGG-NOCBQHASSA-N 400.571 2.862 0 50 HFAA Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21 143215481 VPJXPDLMACOGIZ-UHFFFAOYSA-N 410.909 2.977 0 50 HFAA in-vitro O=C(Nc1cccc(Cn2cncn2)c1)Nc1cccc(Cn2cccnc2=O)c1 146048708 DZGWFXVOZPHUBO-UHFFFAOYSA-N 401.430 2.575 0 50 HFAA C[C@H](NC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 221891901 SQZAUBZSEFMMCS-DAYGRLMNSA-N 409.502 2.617 0 50 HFAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 263616265 HVFRSLJSRQOMMX-NRFANRHFSA-N 422.529 2.938 0 50 HFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(CC(C)(C)CN1CCOCC1)CC2 426684540 RUYBJTJKVNIEPT-SXWKCWPCSA-N 403.567 2.831 0 50 HFAA O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cc2c(O)ncnc2cn1 490230144 KNFOQOLMLQRZMX-LLVKDONJSA-N 403.364 2.758 0 50 HFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(C)nc2c1c(O)nc(=O)n2C 670450943 XSVBYAIIGMVXQT-HNNXBMFYSA-N 408.458 2.683 0 50 HFAA CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 736399408 QCHXLKVLOIGESF-HXUWFJFHSA-N 418.501 2.969 0 50 HFAA Cc1cc2occ(CC(=O)N3CCN(c4ncccc4C(N)=O)CC3)c2cc1Cl 952974803 QTLOWMUTQRTELB-UHFFFAOYSA-N 412.877 2.780 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1NC(=O)C1CCCC1 1704357613 UEEZXTBJHMTDSR-WIYYLYMNSA-N 408.502 2.589 0 50 HFAA CC(C)c1nc(CN2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@]3(CO)C2)co1 1772807174 QGJLGJJNQCOKLX-ACJLOTCBSA-N 411.428 2.538 0 50 HFAA C[C@H](NC(=O)C(=O)N(CCO)[C@@H]1CCc2ccccc21)[C@H]1Oc2ccccc2[C@@H]1C 1875259487 ATHFETDPNNNXRX-CVWFHCBDSA-N 408.498 2.564 0 50 HFAA O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)C2 1875288349 XRAZTMFXJGWPMC-XOSAIJSUSA-N 416.485 2.710 0 50 HFAA COC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1C)C(=O)N1CCOCC1 1875324588 DXKARFPNQJLWMD-HXUWFJFHSA-N 413.474 2.783 0 50 HFAA CC[C@@H](C(=O)N(C)[C@H](CNC(=O)c1cc(C)sn1)c1ccccc1)n1cncn1 1875355027 XRYBOLBGWXQFKG-ZWKOTPCHSA-N 412.519 2.624 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Cl 2325820080 ZSGZYZKIZOAIKF-UHFFFAOYSA-N 412.870 2.634 0 50 HFAA O=C(c1cc(=O)cc[nH]1)N1CC[C@H]([C@H]2CCCN2C(=O)c2cc(O)c3ccoc3c2)C1 2332239555 KAUFCTLQFJZKQA-IFXJQAMLSA-N 421.453 2.594 0 50 HFAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)CC1 5060068 NUWJYNDHFRMUHS-UHFFFAOYSA-N 415.515 2.939 0 50 HFAA CCOc1ccc(-c2nc3s/c(=C\c4cc(OC)ccc4OC)c(=O)n3n2)cc1 6355367 UEXLQEWTJDKWNQ-PDGQHHTCSA-N 409.467 2.782 0 50 HFAA COc1ccc(C2=NO[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC 6738549 QTTVZFVXHQWVGR-OAQYLSRUSA-N 413.449 2.685 0 50 HFAA CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)CC1 13682376 YHZXMHGNRJZYDI-UHFFFAOYSA-N 401.532 2.882 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 16652026 RXNUJJASSSUTHT-UHFFFAOYSA-N 407.492 2.648 0 50 HFAA N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2Cl)CC12CC2 26992204 PNUZDKCDAWUEGK-KGYLQXTDSA-N 409.820 2.703 0 50 HFAA in-vitro CN(C(=O)C[C@H]1C(O)=NCCN1Cc1ccccc1C(F)(F)F)C1CCOCC1 55109285 BGMYMPAHDZYWJF-KRWDZBQOSA-N 413.440 2.874 0 50 HFAA CN(Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)C[C@@H]1CCCCO1 55211556 QCKLHSKEHYGMDI-FQEVSTJZSA-N 405.564 2.920 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCN2)c1 95504024 UYSFRGRLRITBGN-KRWDZBQOSA-N 401.551 2.963 0 50 HFAA CCC1CCC2(CC1)NC(=O)N(CC(=O)/N=c1/sc3ccccc3n1C)C2=O 221966218 LLEVYTNQNIGIDK-XUTLUUPISA-N 400.504 2.558 0 50 HFAA COc1ccc(S(=O)(=O)N2CC(c3nc(COc4ccccc4)no3)C2)cc1F 227155180 OTHROBWPCNCJBO-UHFFFAOYSA-N 419.434 2.584 0 50 HFAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1nnc2ccc(OC)nn12 252484618 GARLLEHHPHEWOZ-QGZVFWFLSA-N 420.473 2.749 0 50 HFAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 952979310 MHTNPCHPNIYWJT-FQEVSTJZSA-N 414.527 2.599 0 50 HFAA Cn1cncc1CN1C[C@@H]2CN(CCSc3ccccc3)C[C@]2(CCC(=O)O)C1 1772819504 MOQHOKXQASPOQG-PGRDOPGGSA-N 414.575 2.811 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)CCn2c(O)nc3ccccc32)[C@H]1c1ccccc1 1857687776 DLTWQJBMSSKRPC-UNMCSNQZSA-N 408.502 2.662 0 50 HFAA CCOC(=O)C1(NC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)CCCC1 1857717265 OSRBJDIOGHMXFG-OAHLLOKOSA-N 400.479 2.821 0 50 HFAA CCOc1ccc(CN2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1CO 1857729885 VLUGXPWHYBQERK-GMAHTHKFSA-N 410.514 2.580 0 50 HFAA Cc1csc(CCC(=O)N[C@H]2CCC[C@H]2CNC(=O)C2SCCCS2)n1 1875345637 DRGOLHFNRQUFAV-KBPBESRZSA-N 413.634 2.981 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)CC1 1875365484 DCASTRCGIVJQPP-QGZVFWFLSA-N 412.408 2.910 0 50 HFAA CC(C)CCn1c(Br)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 636564 OQIJOLROUORMDY-UHFFFAOYSA-N 405.296 2.754 0 50 HFAA CCOc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OCC 719739 KXXGAFSSBVAPFM-UHFFFAOYSA-N 413.453 2.636 0 50 HFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c(OC)c1 894952 LBIBAFYAHLGEFJ-GOSISDBHSA-N 406.232 2.879 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 3464719 KRXFKWFWPKBELF-QUCCMNQESA-N 402.516 2.700 0 50 HFAA CCN(Cc1ccncc1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 11936840 MUUAUYBXLYIADO-OAQYLSRUSA-N 401.576 2.892 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1 12074087 METZSWOEDTXAPI-JOCHJYFZSA-N 415.513 2.721 0 50 HFAA COc1ccc(-n2c(CNC(=O)CSc3ccccn3)nnc2SC)cc1 12184850 FMWCVPDHOINGPE-UHFFFAOYSA-N 401.517 2.801 0 50 HFAA Cc1nn(C)cc1CN1CC(=O)N(Cc2cccnc2)C[C@H](OCc2ccccc2)C1 14533838 RCPZUCBQIPSFFJ-HSZRJFAPSA-N 419.529 2.553 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1OC)C2 14749685 JYROOVIJUDHIBK-QGZVFWFLSA-N 414.575 2.748 0 50 HFAA CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 14990775 PXKSFWWITAGSSK-OAHLLOKOSA-N 407.474 2.716 0 50 HFAA COC(=O)CN(C)C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 15076566 FWMIOJYRCAQACZ-UHFFFAOYSA-N 404.507 2.726 0 50 HFAA O=C(O)COCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 17089819 JQZVUYIGHWTVFR-UHFFFAOYSA-N 414.439 2.978 0 50 HFAA CCN1CCN(c2nccc(-c3cnc4nc(-c5ccccc5)nn4c3C)n2)CC1 54202026 LLQKPURQWOJMJY-UHFFFAOYSA-N 400.490 2.699 0 50 HFAA CN1CCC(N2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 82134504 DBVDSWFFNGOBHA-QFIPXVFZSA-N 412.622 2.616 0 50 HFAA OCCC[C@@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[C@@H]1N1CCOCC1 91269911 VGIVPDRZNUBMNO-PBHICJAKSA-N 403.350 2.994 0 50 HFAA CCOC(=O)C1CCN(CN2C(=O)[C@]3(O[C@H]4CCCC[C@H]4O3)c3ccccc32)CC1 252430980 XACRSKPWLCDKLR-JHDGKUDLSA-N 414.502 2.777 0 50 HFAA CC(C)/C=C/C(=O)N1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)NC2=O)CC1 299768147 JOAUNEGNMGMRFL-QQUYBBDPSA-N 403.910 2.912 0 50 HFAA O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccnn1-c1ccccc1 470984839 OEVQOYHUQFAJOU-INIZCTEOSA-N 411.487 2.558 0 50 HFAA CCc1cc(N2CCC(NC(=O)c3cccnc3OCC(F)(F)F)CC2)ncn1 480143183 QZUXUQSEUBQRIQ-UHFFFAOYSA-N 409.412 2.774 0 50 HFAA Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)ccc1NC(=O)c1ccco1 490180819 AVCOPZFOIJOUAY-UHFFFAOYSA-N 417.443 2.936 0 50 HFAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952893517 MZTBOZDKXPNZMB-UZLBHIALSA-N 403.498 2.875 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CCCCCN3C)CC1)OCC2 1704301378 WWHMPBYSZHZKHH-LJQANCHMSA-N 402.535 2.969 0 50 HFAA CCc1ccc(CN2C[C@H]3CN(c4nc(C(=O)O)co4)C[C@@]3(CCC(=O)O)C2)s1 1772807760 ABIGRMBTXNWZSN-RNODOKPDSA-N 419.503 2.800 0 50 HFAA OC[C@@]12CN(CCCn3cccn3)C[C@@H]1CN(c1nc(-c3ccccc3)cs1)C2 1772812995 USEBSOKOTKHRLK-KNQAVFIVSA-N 409.559 2.827 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCc1nc(-c2ccccc2)n[nH]1 1857729386 YOQABEBXTRYMBB-OAHLLOKOSA-N 417.473 2.931 0 50 HFAA COc1ccc2[nH]nc(CN3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)c2c1 1857732262 JVFFYVDHAFNMRE-XJUOHMSHSA-N 404.470 2.846 0 50 HFAA CCCN1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCn2cccn2)C1 1875247431 VSSJIKWLQDRCSI-XMMPIXPASA-N 417.561 2.959 0 50 HFAA O=C1CSc2nc(N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)ncc2N1 2325824577 HNRRBXIIIZUYDH-UHFFFAOYSA-N 424.313 2.790 0 50 HFAA Brc1cccc(-c2ccc(CN=c3nc(N4CCOCC4)[nH][nH]3)o2)c1 2325878557 UMIIIQLRFICXKB-UHFFFAOYSA-N 404.268 2.698 0 50 HFAA CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356159226 RKPWKBMCWJSAMT-WDMRIIIPSA-N 415.553 2.970 0 50 HFAA Cc1c(C(=O)NCC[C@H]2CCCN2C)cnn1-c1nccc(-c2ccccc2F)n1 12021479 APXIAPBUKDTCMN-MRXNPFEDSA-N 408.481 2.991 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccc(F)cc1F)C3 12039313 LPVAPLPMECWPPN-OAHLLOKOSA-N 418.513 2.945 0 50 HFAA CC(C)(CNC(=O)CN1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCOCC1 12052939 XHWWVALYEHJWPS-QHCPKHFHSA-N 423.557 2.849 0 50 HFAA CC(C)NC(=O)c1cn([C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)nn1 12123735 SJOAYXDUPSJXOE-QFIPXVFZSA-N 424.593 2.760 0 50 HFAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14740944 WFXIZNMNAVHCMD-HXUWFJFHSA-N 422.573 2.761 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 15671249 ONSSHDSXCKCYKB-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA Cc1nn2c(-c3cccc(NC(=O)CN4CCOCC4)c3)nnc2c2ccccc12 20323802 ZRHHJTQXEVKZPL-UHFFFAOYSA-N 402.458 2.524 0 50 HFAA O=C(c1ccc(I)[nH]1)c1ccc(I)[nH]1 25758972 NEPLTTWWFVXBFI-UHFFFAOYSA-N 411.968 2.783 0 50 HFAA CN(C)C(=O)c1ccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)o1 63882941 KXXYYJPLFGTOOH-UHFFFAOYSA-N 418.457 2.728 0 50 HFAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)c1 77470660 UIBXAYPFVVQVSN-MTQWNXOMSA-N 416.477 2.520 0 50 HFAA COc1ccccc1CN(CC(=O)O)C(=O)C1CCN(C(=O)C2CCCC2)CC1 95510481 FLQWYTXRNGNEQF-UHFFFAOYSA-N 402.491 2.537 0 50 HFAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CNC(=O)OCc4ccccc4)C=C[C@H]3O2)cc1 101110304 HROZDXDOCLQLLR-FIXDAVPBSA-N 418.449 2.734 0 50 HFAA O=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)c(B(O)O)c1 169744093 WZUNRSLJNYDLQM-UHFFFAOYSA-N 406.831 2.827 0 50 HFAA CCN(CC)[C@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 239667703 BRNKSIMEXWNEMR-RTBURBONSA-N 423.554 2.734 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3OC)C2)c1 328600586 YWFUOYCPHFKTTI-IBGZPJMESA-N 420.487 2.832 0 50 HFAA Cc1ccc(N2CCC(NCCN3CCN(c4ncccn4)CC3)CC2)cc1Cl 1506418057 NSBJDGOZNLLUAJ-UHFFFAOYSA-N 414.985 2.819 0 50 HFAA Cc1cc(-n2cccn2)ccc1CN1CC[C@H](N(C)CCc2ccccn2)[C@@H](O)C1 1565514394 ANQWAEIFAAMNDO-ZEQRLZLVSA-N 405.546 2.685 0 50 HFAA COc1ccc(-c2nc(CNC(=O)c3cc(=O)n(-c4ccccc4)[nH]3)c(C)o2)cc1O 1857679036 VMJBOPZRAFNYBD-UHFFFAOYSA-N 420.425 2.773 0 50 HFAA CCNC(=O)CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705121 TZWNGJLWGNMTKS-FQEVSTJZSA-N 401.551 2.611 0 50 HFAA O=C(Cc1ccc(CO)cc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857722352 JCOGJWPBXJVSPB-QHAWAJNXSA-N 400.906 2.705 0 50 HFAA CN=[S@](C)(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 1875325715 ABCHQJWXGUYYIQ-RUZDIDTESA-N 415.880 2.662 0 50 HFAA CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1)c1ccc(F)cc1 1875326265 OEDUYCSGENJPJN-PWIZWCRZSA-N 402.441 2.769 0 50 HFAA O=C(O)CC[C@@H]1CCN(C(=O)CCc2cn(-c3ccccc3Br)nn2)C1 1875354635 YXWOLLANYXKLHC-CYBMUJFWSA-N 421.295 2.676 0 50 HFAA O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12 657081 ZMMWUBHJYRUFQW-UHFFFAOYSA-N 422.462 2.661 0 50 HFAA O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC1CC1 1167173 OPMWDTXCGXGISX-UHFFFAOYSA-N 423.332 2.919 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 2876834 VMDZNNGFCSNFDD-UHFFFAOYSA-N 400.815 2.613 0 50 HFAA CN(C[C@H](CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 3627408 ODSRMUXYEQYKON-INIZCTEOSA-N 416.528 2.971 0 50 HFAA aggregator COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1Cl 11838826 BOIFGAFLBKLPIX-OAHLLOKOSA-N 419.913 2.988 0 50 HFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1Cl 12443803 VENLIKWXGIREIZ-HNNXBMFYSA-N 421.925 2.928 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 19862732 FWDPWEKTTXOMLS-VDGAXYAQSA-N 411.502 2.540 0 50 HFAA O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(Cc2ccccc2)CC1 21042851 LUMZEZLAMNVYHD-UHFFFAOYSA-N 413.543 2.575 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(F)ccc2C)n1 72117802 HWFGIFNSOHECTE-UHFFFAOYSA-N 407.515 2.613 0 50 HFAA CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CNC(N)=O 82166734 YRDJAMHWCOJOPU-HXUWFJFHSA-N 408.502 2.756 0 50 HFAA O=C(c1cc(F)ccc1F)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777738 OFKPNYJFMAABPR-CYBMUJFWSA-N 400.389 2.961 0 50 HFAA O=C(Nc1cn(Cc2ccccc2)nn1)[C@@H]1CCCN1c1ncnc2sccc12 170601811 GZWWKSKYXLBVQS-INIZCTEOSA-N 405.487 2.939 0 50 HFAA CC(C)CNS(=O)(=O)c1ccc(CNc2ccc3nnc(C(C)(C)C)n3n2)cc1 480418043 GWMFNUBISSPKRB-UHFFFAOYSA-N 416.551 2.968 0 50 HFAA CC(C)CN1C[C@@H]2CN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CCN2C1=O 488779988 JNGYZNZECHFDKZ-ZDUSSCGKSA-N 409.412 2.732 0 50 HFAA COc1ccc(C(=O)N2CCC(C(=O)NCCc3cn4ccsc4n3)CC2)cc1 670443497 SRLGCMYEWJIRTF-UHFFFAOYSA-N 412.515 2.616 0 50 HFAA CC[C@@](O)(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1cccc(Cl)c1 800513875 ALHDZYHVMWFBJR-NRFANRHFSA-N 402.878 2.628 0 50 HFAA Cc1ncsc1CCNC(=O)[C@]12COC[C@H]1CN(Cc1cccc(F)c1F)C2 1857694151 CGRZIHARUSJYMH-FOIQADDNSA-N 407.486 2.537 0 50 HFAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(-n2ccc(C(N)=O)n2)c1 1875262762 IQRKXMFEVIBFSE-BFUOFWGJSA-N 411.437 2.744 0 50 HFAA O=C(N[C@@H]1CCC[C@@H](CN2CCC(O)CC2)C1)c1c[nH]nc1-c1cccc(F)c1 2100540575 LYTYASJMAKQPAR-CRAIPNDOSA-N 400.498 2.961 0 50 HFAA COc1cccc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1OC 2356156557 HLRZDUQINPJSAL-YDHSSHFGSA-N 402.535 2.964 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 2356164319 OHLUGCGUDQQADD-UHFFFAOYSA-N 418.497 2.806 0 50 HFAA Cc1cccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 3015773 UEHFACRNZIXGJL-UHFFFAOYSA-N 401.470 2.600 0 50 HFAA COc1cccc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)Cn3cncn3)c2)c1 11753716 SWTYZSZAUKMJEA-NRFANRHFSA-N 419.485 2.974 0 50 HFAA CCc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)nc1 11937951 AGHUWWUSSCJWJD-HSZRJFAPSA-N 416.525 2.804 0 50 HFAA COC[C@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 12301097 IEMZVHZGJVJLBJ-IBGZPJMESA-N 405.564 2.829 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1 14963760 QHCFVTPZSGQZPK-CQSZACIVSA-N 410.396 2.761 0 50 HFAA CCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c3cccc(C)c3n2)cn1 63882616 AZPJJMIAZYVPTJ-OAHLLOKOSA-N 403.486 2.865 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1OC 72410951 MDNUJCMXSOCPMP-QHCPKHFHSA-N 401.551 2.613 0 50 HFAA COc1ccc(-c2cn3cc(C(=O)NCC(C)(C)OC)nc3c(=O)n2CC2CC2)cc1 72418508 GVJCAQSTRTUZJL-UHFFFAOYSA-N 424.501 2.736 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nc(C)cs2)[C@H]3C1=O 77470729 VNNPZZWCAZCJOG-DBSRCYSRSA-N 403.548 2.628 0 50 HFAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OCC)c1 138543103 HDVYGGKAJXYBJQ-MWDDYTRKSA-N 403.431 2.725 0 50 HFAA CCOc1cc2c(c3[nH]c(C(=O)N(CC)[C@@H]4CCS(=O)(=O)C4)cc13)O[C@H](C)C2 225534202 SVRCBUKYLNRBSY-TZMCWYRMSA-N 406.504 2.539 0 50 HFAA CCOC(=O)C[C@](C)(NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(C)C 225610988 LNEJCUUQXFAFCO-IBGZPJMESA-N 414.524 2.599 0 50 HFAA CNC(=O)[C@@H]1CCCN1CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 434723376 ZZWFDGIEQQOIPY-NRFANRHFSA-N 417.513 2.997 0 50 HFAA O=C1NC[C@H](COC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)O1 801222617 FLWFCFKFFCTDSP-CQSZACIVSA-N 420.347 2.947 0 50 HFAA CSCC[C@H](C(=O)Nc1ccc2c(c1)ncn2C)n1c(O)nc2ccccc2c1=O 888088679 LIDZIBKZYAFOHV-GOSISDBHSA-N 423.498 2.922 0 50 HFAA COc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)CCC2 1478256443 PKEODMGHJQPADK-XUVXKRRUSA-N 421.563 2.765 0 50 HFAA O=C(C1CCN(C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1)N1CCOCC1 1506416333 VXEBWRLUOYPUMI-QHCPKHFHSA-N 422.525 2.816 0 50 HFAA CCc1cccc2ccc(C(=O)N[C@@H]3CCC[C@H]3NC(=O)c3cnnn3C3CC3)nc12 2325828623 MQWHGAXLVFGHJO-QZTJIDSGSA-N 418.501 2.805 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 2356157232 GHPJBOBJOKPCGQ-UHFFFAOYSA-N 415.511 2.803 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)C3(Cc4ccccc4)CNC3)CC1)OCC2 2356157832 STDUPRDBISMJTE-UHFFFAOYSA-N 406.526 2.918 0 50 HFAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC(N)=O)cc1 6659293 QYCPSDXZLSNJHG-FQEVSTJZSA-N 406.442 2.752 0 50 HFAA Cc1cc(C)cc(CN2CCN(C(=O)c3cn(Cc4ccc(F)cc4)nn3)CC2=O)c1 11760886 VRCZHZMJYIFCPI-UHFFFAOYSA-N 421.476 2.567 0 50 HFAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CSc2ncccn2)CC1 12058745 YBGZQGAJLKSIDA-MRXNPFEDSA-N 407.536 2.700 0 50 HFAA CC[C@@H](COC)NC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 12331705 IXWRDGIDRXFRHN-ZDUSSCGKSA-N 401.492 2.692 0 50 HFAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CCOC2)CC1 12456877 AHKUGDJPSWFRPW-HNNXBMFYSA-N 413.478 2.736 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccoc1)CC2 14531658 GDGHYALRQDGIAV-UHFFFAOYSA-N 411.502 2.768 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 19799648 HUBLMPQZXCJFGM-UHFFFAOYSA-N 409.943 2.823 0 50 HFAA O=C(c1nc2ccccn2c1CN1CCCC[C@@H]1c1cccnc1)N1CCOCC1 20999351 ATPQNZDDHLPKKX-LJQANCHMSA-N 405.502 2.929 0 50 HFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 170669367 LPXQSVWLHAXJQZ-LZNRXBQRSA-N 403.542 2.909 0 50 HFAA COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC1=O 225610353 HOQUGNUAMBFEBB-CJNGLKHVSA-N 420.868 2.999 0 50 HFAA COc1ccccc1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 248259460 VGLSOIDRUUPJNT-IYARVYRRSA-N 409.486 2.787 0 50 HFAA COCCn1ccc2c(OCC(=O)Nc3nc(C(=O)OC)c(C)s3)cccc21 263587470 HGAVYVPJGSQDKS-UHFFFAOYSA-N 403.460 2.857 0 50 HFAA O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1CCOc1ccccc1 263615315 BSXUPSIRFTZQPP-UHFFFAOYSA-N 402.414 2.530 0 50 HFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 488858134 BQDVZEIIVADUJR-QFIPXVFZSA-N 421.545 2.714 0 50 HFAA O=C(NCc1nncn1C1CCCCC1)c1sccc1S(=O)(=O)N1CCCC1 670472604 OMNHWYDCSMNQAZ-UHFFFAOYSA-N 423.564 2.559 0 50 HFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1506428348 ONQXJSVYABIGRU-SFHVURJKSA-N 407.474 2.667 0 50 HFAA O=C(c1sccc1Cl)N1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c34)C[C@@H]2C1 1875345749 HVZJVHOMFLFUNK-NEPJUHHUSA-N 415.906 2.907 0 50 HFAA COc1cc(F)c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(F)c1 2356140853 QOAFEMBQRNXKRM-NRFANRHFSA-N 402.445 2.950 0 50 HFAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)c(C)n1 2802109 NCQHMHLQWVMBPW-CYBMUJFWSA-N 412.462 2.529 0 50 HFAA COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 2925437 HZFNNRCAJLIPRU-UHFFFAOYSA-N 408.545 2.675 0 50 HFAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccc4nonc34)C2)c1OC 11878161 DPHYSPONRSCZAQ-OAHLLOKOSA-N 410.474 2.882 0 50 HFAA CSCC[C@H](NC(C)=O)C(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1 11909568 PUFOBCXXFSVLKM-HKUYNNGSSA-N 413.543 2.735 0 50 HFAA COc1ccc(CN2CCC(CO)CC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12573996 OMHCJIXKTVZHHD-JOCHJYFZSA-N 420.594 2.905 0 50 HFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)CN2C1=O 14747195 JRQYQSSDHZXHHD-ZEWNOJEFSA-N 405.498 2.597 0 50 HFAA COCCSc1nnc(C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)n1C 14888137 RGYYLRBSTDPPTC-UHFFFAOYSA-N 404.536 2.720 0 50 HFAA CCc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)c(=O)cc(C)n1CCN1CCCCC1 14990427 NALBRIINZYVSDD-GOSISDBHSA-N 403.567 2.892 0 50 HFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1I 15019490 IZLFZBOCTMOACH-UHFFFAOYSA-N 408.195 2.655 0 50 HFAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3ccnc(-n4cnnn4)c3)C2)c1 15080464 OYYNSTCECWHZHL-GOSISDBHSA-N 420.473 2.580 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)CC1 23368039 WAYITNZSRXLGMH-NRFANRHFSA-N 400.567 2.593 0 50 HFAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1cccnn1 72423565 ZYKJLLZBHMNPKE-UHFFFAOYSA-N 414.469 2.964 0 50 HFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccccc3cc1O)C2 95356983 JSUHPJSCXQCRDV-MAUKXSAKSA-N 402.454 2.712 0 50 HFAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1I 101469359 BXEDGFJKQVMBNP-KWBADKCTSA-N 407.273 2.767 0 50 HFAA CS(=O)(=O)C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccccc1 170610337 LOXCAWMMTNREAT-AWEZNQCLSA-N 416.268 2.810 0 50 HFAA COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1=O 225610425 HOQUGNUAMBFEBB-XJKSGUPXSA-N 420.868 2.999 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(OC)cc(OC)c4)c3CO2)cc1 263618694 UZXCSIXVGOMZIG-LJQANCHMSA-N 410.430 2.828 0 50 HFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(=O)N(CCN2CCCCC2)CC1 299791774 FTRFQHXPGRTBDK-GOSISDBHSA-N 421.969 2.963 0 50 HFAA Cc1ccc(Cc2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 471606832 QHJVMLMNADARMQ-IBGZPJMESA-N 419.485 2.707 0 50 HFAA O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccnn1-c1ccccc1 471942973 GHCXONUIERBZNI-UHFFFAOYSA-N 424.526 2.703 0 50 HFAA CC(C)c1nc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)no1 827864367 KTLKXXWIPLGTTJ-UHFFFAOYSA-N 403.442 2.886 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)cc2)CC1 952872481 QMCSJLBOSWMJGK-KRWDZBQOSA-N 408.502 2.542 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCCN(C(=O)C(F)(F)F)CC3)cc2)n1 952968583 CLALZOBUPJGSBX-UHFFFAOYSA-N 408.424 2.785 0 50 HFAA Cc1cccc(CC(=O)N2CCCN(CCS(=O)(=O)c3ccccc3)CC2)c1 1772707738 YJYQEZKBXRYYHW-UHFFFAOYSA-N 400.544 2.546 0 50 HFAA O=C(O)c1ccccc1CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C[C@@H]2CCOC2)CCO1 1857673200 OYTLPLIUTICYBA-GXJJEBCYSA-N 400.519 2.619 0 50 HFAA O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857727052 JDQGTHJHXOOYAU-KRWDZBQOSA-N 424.501 2.980 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCc1nc(-c2ccccc2)n[nH]1 1857729385 YOQABEBXTRYMBB-HNNXBMFYSA-N 417.473 2.931 0 50 HFAA Cc1cc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2c(C)noc2n1 1860208839 NWBSZGDHEJTPMJ-UHFFFAOYSA-N 422.441 2.603 0 50 HFAA Cc1nc2c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)ccnc2n1C 2100545112 HHHBHYPYMVPKIA-WMZOPIPTSA-N 400.866 2.505 0 50 HFAA COc1cc(-c2o[nH]c(=NC3CCN(C[C@@H]4CCCO4)CC3)c2C(=O)O)ccc1F 2356144264 PJGAKSLWESRKHB-HNNXBMFYSA-N 419.453 2.665 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cnc3cccc(C)n3c2=O)CC1 2356155196 BIRWZZMSENUSIL-UHFFFAOYSA-N 419.481 2.716 0 50 HFAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 660113 GBLPMPMDPITMCE-UHFFFAOYSA-N 404.488 2.743 0 50 HFAA COc1ccc(CCNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1OC 703510 SSQYJMGGFSLAGR-UHFFFAOYSA-N 400.862 2.855 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 803280 NBRFVMAWIDIQQK-UHFFFAOYSA-N 413.455 2.969 0 50 HFAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1 970352 QKSPHMHGYKXHIJ-UHFFFAOYSA-N 415.453 2.660 0 50 HFAA CCOC(=O)C(=O)Nc1sc(C(=O)N[C@@H](C)c2ccccc2)c(C)c1C(=O)OC 2880069 IYTXVBIYGWPMCB-LBPRGKRZSA-N 418.471 2.836 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(=O)N1CCOCC1 7360465 ZIOHNBWEMRAJEV-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA O=C1CCN(C(=O)c2n[nH]c3c2CCC3)CCN1Cc1cccc(C(F)(F)F)c1 11789614 SPWJTXATNASXLH-UHFFFAOYSA-N 406.408 2.792 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cn(Cc3ccc(F)cc3)nn2)[C@@H](C)C1 11844325 USIDENWBORGOBN-INIZCTEOSA-N 409.465 2.825 0 50 HFAA O=C(NCCCn1cccn1)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12708745 MMFNGQVWVCCVBW-QFIPXVFZSA-N 409.578 2.766 0 50 HFAA COc1ccc(/C=C2\SC(=N)NC2=O)cc1OS(=O)(=O)c1ccc(C)cc1 13400978 HXABOVNWQSCTME-YBEGLDIGSA-N 404.469 2.910 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1)[C@H]1CCOC1 15073597 VJRIHVVJOHXQRJ-KRWDZBQOSA-N 414.481 2.794 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)c1 15671245 LRJPSBBGFLRLKC-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 72442070 MXZBPBONACRYJF-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA CC(C)Cn1c(CC2(CC(=O)N3CCN(C)C(=O)C3)CCCC2)nc2cccnc21 77287995 MACCQOPVXMRKNJ-UHFFFAOYSA-N 411.550 2.881 0 50 HFAA O=C(Cc1ccsc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169777236 BHXCRGHTXPOTOR-UHFFFAOYSA-N 400.479 2.769 0 50 HFAA Cc1cccc(-c2ccc(CNC(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)c1 225397491 OQQRZZWCTHIWDB-UHFFFAOYSA-N 401.532 2.839 0 50 HFAA CCOC(=O)[C@H](C)CCc1nc2sc3c(c2c(=O)[nH]1)CCN(C(=O)OCC)C3 225840169 TZXGYPZHPKABKQ-LLVKDONJSA-N 407.492 2.631 0 50 HFAA CC[C@@H](CO)NC(=O)Cc1ccc(N[C@@H](COC(C)=O)c2ccc(Cl)cn2)cc1 253415967 GHIDNVDJCXWFDS-PXNSSMCTSA-N 419.909 2.881 0 50 HFAA O=C(CCc1nc(O)c2ccccc2n1)Nc1ccccc1OCCN1CCOCC1 263587558 IGLDZIJVPAGWPI-UHFFFAOYSA-N 422.485 2.618 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2c(c1)OCCO2 299765305 FDSWWBNNVJEBGI-FQEVSTJZSA-N 423.513 2.796 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3cc(F)cc(F)c3)C2=O)c1 463439101 ZANYEBQABDSRCK-HXUWFJFHSA-N 422.453 2.904 0 50 HFAA Cc1cc(OC[C@H](O)CNC2CCN(C(=O)c3cccnc3)CC2)ccc1Cl 1506423694 YZENEMRXBMCAMB-GOSISDBHSA-N 403.910 2.678 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCCN2CCCCCC2)cc1OC 1529112005 FRELLQBJMRTUPI-FYYLOGMGSA-N 420.550 2.621 0 50 HFAA O=C(O)[C@H]1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)CC12CCOCC2 1800410899 DAWLIPOWMSIXPI-HXUWFJFHSA-N 400.519 2.629 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc(C)n1 1875248516 VKGSBMTZANXCEH-HSZRJFAPSA-N 416.485 2.771 0 50 HFAA Cc1c(O)cccc1C(=O)N1CC2(CCCCN(C(=O)[C@@H]3CCc4c[nH]nc43)C2)C1 1875330860 FORSKKRQUQYGHI-GOSISDBHSA-N 408.502 2.608 0 50 HFAA O=C(NCC1(CO)CCCCC1)[C@H]1CC[C@H](C(=O)NCC2(CO)CCCCC2)CC1 2325727421 KGEZIUDBCRLZIB-MXVIHJGJSA-N 422.610 2.911 0 50 HFAA O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)Nc1cccnc1N1CCCC1 2325879346 RBXCMJKSFGLEHL-UHFFFAOYSA-N 415.519 2.908 0 50 HFAA NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 794264 CHFOWLCAIBDMHS-LLVKDONJSA-N 422.268 2.849 0 50 HFAA CCOC(=O)C(=O)Nc1sc(C(=O)N[C@H](C)c2ccccc2)c(C)c1C(=O)OC 2880070 IYTXVBIYGWPMCB-GFCCVEGCSA-N 418.471 2.836 0 50 HFAA CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1Cl 12413257 IOROUWPNSIBXAA-CQSZACIVSA-N 419.894 2.866 0 50 HFAA COc1cc(OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1 18088229 DIUKIFIMAAJMSG-OAQYLSRUSA-N 423.469 2.658 0 50 HFAA CN(C)CCNC(=O)c1ccc(OC2CCN(C3CCN(C)CC3)CC2)c(Cl)c1 20877921 FSNPXHDTNUMOIT-UHFFFAOYSA-N 423.001 2.569 0 50 HFAA O=C(Cn1ccnc1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55166116 HVVXTCGNFKNMKC-LJQANCHMSA-N 421.467 2.715 0 50 HFAA CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)n(C)n1 55342414 YWIAHWZNHUKPOU-LJQANCHMSA-N 413.541 2.939 0 50 HFAA C[C@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1n[nH]c(=O)[nH]1 67672991 BHTRWISXSOSQKD-QMMMGPOBSA-N 422.392 2.984 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)CCc3ccccc3)C2=O)c1 67694904 YNNYFQGXVSGKFK-HSZRJFAPSA-N 400.494 2.862 0 50 HFAA O=C(c1cnon1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 95524053 NFFZSVADNLGBQE-GOSISDBHSA-N 402.470 2.742 0 50 HFAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138974309 RLWVJHFTCFYGGN-RJZRQDKASA-N 420.874 2.984 0 50 HFAA COc1ccc(F)c2[nH]c(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)cc12 225420925 KJIBYCYEZJATOM-UHFFFAOYSA-N 401.360 2.846 0 50 HFAA C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)c1cccs1 229691527 DHECTTNCXYEPLT-OXFYSEKESA-N 413.543 2.765 0 50 HFAA CCN(CC)C(=O)[C@H](C)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 239667193 BPHVFFABIFIOBQ-AWEZNQCLSA-N 420.355 2.704 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245242203 JGNGGJRBZOPUSD-AZXNSQLWSA-N 419.456 2.819 0 50 HFAA Cc1ccc(C[C@@]2(CCC(=O)N3CCN(Cc4cccnc4)CC3)CCC(=O)N2)cc1 299798748 UMFINUBROYOJSO-VWLOTQADSA-N 420.557 2.706 0 50 HFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 608147849 SEBIDMLILAMRFX-INIZCTEOSA-N 413.503 2.810 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)CCCc1cnn[nH]1)CC2 952887861 CRGGDRUPCSWDMQ-SFHVURJKSA-N 401.536 2.619 0 50 HFAA O=C1CCOC2(CCN(C(=O)C3CCOCC3)CC2)CN1Cc1ccc(Cl)cc1 1704352698 DAGFJOFPMFIODN-UHFFFAOYSA-N 420.937 2.877 0 50 HFAA Cc1cc(C[C@@H]2CN(C(=O)Cn3cc(C(=O)C4CC4)c4ccccc43)C[C@H]2O)on1 1704354604 HJYSLURADTYDPL-IIBYNOLFSA-N 407.470 2.592 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772701380 LESMTHZQHHVGDO-OFNKIYASSA-N 412.555 2.531 0 50 HFAA O=C(NC[C@@H]1Cc2ccccc2CN1c1nccnc1F)c1cccc2[nH]ncc12 1875389229 GTHUQRDNWWDGLW-INIZCTEOSA-N 402.433 2.853 0 50 HFAA COc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 797673 JCAAKTKMBJKUDR-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(I)cc1 1203734 AUORIQZIEXRFKW-UHFFFAOYSA-N 423.189 2.723 0 50 HFAA O=C(CSc1ncccn1)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 11909193 MXDIYKKWFWHHGB-LJQANCHMSA-N 412.559 2.899 0 50 HFAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1 12054607 KLTACNUFNAGMGZ-UHFFFAOYSA-N 414.575 2.631 0 50 HFAA CCOc1cc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1O 12125777 RGXQLLRNBCWXQM-SFHVURJKSA-N 413.522 2.846 0 50 HFAA CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CCCCC1 12315299 XQGHFDFPPPRPBO-GOSISDBHSA-N 415.534 2.635 0 50 HFAA CC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715008 YEAGGZNQXRYAAF-MRXNPFEDSA-N 409.895 2.622 0 50 HFAA CN(Cc1ccno1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 14981358 DSMQXPQWWJLHHO-JOCHJYFZSA-N 418.497 2.691 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3O)CC2)cc1 16607210 HINSDRJGXXTXPD-UHFFFAOYSA-N 404.488 2.749 0 50 HFAA CC(C)N1C[C@H](NCc2ccccc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 23361455 POBXDCRKJXTMEW-RTWAWAEBSA-N 409.530 2.715 0 50 HFAA COc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2ccnc2)CC1 67954367 BPPKJCWZFARRBM-IBGZPJMESA-N 406.534 2.792 0 50 HFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(N(C)C)c4)CC3)nn2)n1 169777406 WSPCMANNVQREEB-UHFFFAOYSA-N 409.494 2.824 0 50 HFAA CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H](CC)CN1CC(C)(C)O 170613513 NLYBRWCUVSFPIP-HUUCEWRRSA-N 410.946 2.917 0 50 HFAA Cc1nc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)cs1 244884103 YFIRKELIMAGVEM-WKILWMFISA-N 400.504 2.843 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 827848342 BPMLFLXYQUYGPL-GOSISDBHSA-N 404.507 2.553 0 50 HFAA NS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)c1 1290162609 XROMWWOVHSBDBM-NUEKZKHPSA-N 407.289 2.621 0 50 HFAA Cc1nc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)cs1 1857672699 XIQAKXQNKJBEFA-CQSZACIVSA-N 413.528 2.563 0 50 HFAA N[C@@H]1CC[C@H](C(=O)NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)C[C@H]1O 1857718971 BXEUSPSCIXCJHX-QPTUXGOLSA-N 421.585 2.825 0 50 HFAA N=c1[nH]nc(CNC(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)s1 1857724339 WAQXJIALNYYIDE-SNVBAGLBSA-N 406.899 2.668 0 50 HFAA Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1cccnc1 1875257774 BOLSTLWPZUYNDL-KRWDZBQOSA-N 403.486 2.597 0 50 HFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1875288347 XRAZTMFXJGWPMC-DIECFANBSA-N 416.485 2.710 0 50 HFAA O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 2755752 JAYCCZFGDAGENU-GFCCVEGCSA-N 405.380 2.928 0 50 HFAA CCOC(=O)c1c(C)n(C[C@@H](COC(C)=O)OC(C)=O)c2ccc(OC(C)=O)cc12 2816572 PJXRBLWGFLZKLA-KRWDZBQOSA-N 419.430 2.547 0 50 HFAA CCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl 4754965 FCUNFAXNQCWNES-GFCCVEGCSA-N 412.726 2.982 0 50 HFAA Cn1nccc1C(=O)Nc1sc2c(c1C(=O)NC(N)=O)CC[C@@H](C(C)(C)C)C2 6386638 MUBWKECLQQDZQD-SNVBAGLBSA-N 403.508 2.693 0 50 HFAA Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)n1 6760605 QXECPSZXQUMIEB-UHFFFAOYSA-N 400.490 2.608 0 50 HFAA O=C(CCC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCc1cccnc1 12305753 WLEWEJDZMAWDGU-OAQYLSRUSA-N 409.486 2.557 0 50 HFAA COc1ccc(CN(C)Cc2ccn[nH]2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12447518 VIRBOKCCHCJWGA-JOCHJYFZSA-N 424.545 2.922 0 50 HFAA O=C(Nc1cccnc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 16648794 GKQPLQKLDQHWND-HXUWFJFHSA-N 409.467 2.818 0 50 HFAA CC1=C(CCN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)C(C)(C)CCC1 20599405 WLKQUZXAJSNIEG-UHFFFAOYSA-N 416.614 2.951 0 50 HFAA Cc1ccc(Nc2nc(-c3cnc(N4CCN(C)CC4)nc3C)cc(=O)[nH]2)cc1C 36235659 VJFFTXBBHOIITE-UHFFFAOYSA-N 405.506 2.648 0 50 HFAA CCNc1nc(C)cc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 72437573 YGFPYIXZFGCBKO-UHFFFAOYSA-N 403.430 2.626 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 82127494 QUANXXDQFIDNSP-FQEVSTJZSA-N 406.530 2.715 0 50 HFAA COC(=O)CCN(Cc1cccc(Br)c1)c1nc(C)nc(N(C)C)n1 170611235 QKDPHKXHPMCLLF-UHFFFAOYSA-N 408.300 2.578 0 50 HFAA CCc1cc2nc3c(c(CC)c2cc1O)Cn1c-3cc2c(c1=O)COC(=O)[C@@]2(O)CC 209231002 BQAJEBSARMNUPK-XMMPIXPASA-N 420.465 2.910 0 50 HFAA C[C@H](NC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 248244094 INOLKJOONOEYCD-MORSLUCNSA-N 415.540 2.858 0 50 HFAA NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)C1 250642102 FSYUFJPGQWHLDD-FYYLOGMGSA-N 420.557 2.987 0 50 HFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3[nH]cnc3c1)C=C2 253414316 XBVSRIXZPLSWJU-UHFFFAOYSA-N 406.442 2.964 0 50 HFAA biogenic Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 303639360 QNFDJFOVOKFBMV-UHFFFAOYSA-N 424.574 2.529 0 50 HFAA O=C(NCCO)c1cccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 434279454 ZJJXGGWHIQINBB-KRWDZBQOSA-N 407.392 2.645 0 50 HFAA COC(=O)c1n[nH]c2ccc(NC(=O)N3CCc4c(cccc4NC(C)=O)C3)cc12 772289826 FQCRSVHWMVZYMX-UHFFFAOYSA-N 407.430 2.898 0 50 HFAA CC[C@](O)(C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC)c1cccc(Cl)c1 800524485 JZTDXPDHZWAIGZ-FXAWDEMLSA-N 409.841 2.814 0 50 HFAA CS(=O)(=O)N1CCC(c2nnc3sc(Cc4ccc(Cl)cc4)nn23)CC1 951726887 NJZFLGUOYCUWMI-UHFFFAOYSA-N 411.940 2.569 0 50 HFAA C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1[C@@H](O)c1ccccn1 1297426238 ISAUAARTUDMZJB-SPLOXXLWSA-N 415.453 2.797 0 50 HFAA O=C(N[C@@H]1CCCC12CCN(CCn1c(=O)oc3ccccc31)CC2)c1ccon1 1857731915 TXZMAQPKFOLWMI-LJQANCHMSA-N 410.474 2.647 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 2325889213 FVNIVULQOXGQNY-INIZCTEOSA-N 418.925 2.831 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 2876619 RSECOJCSSPLXBF-UHFFFAOYSA-N 412.558 2.994 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cccc2cccnc12 3549734 WQOQHYFWQOSCAX-UHFFFAOYSA-N 412.467 2.783 0 50 HFAA CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)[C@](O)(C(F)(F)F)C1 6526420 ODAUZDJEVGVPGZ-WPPNPWJKSA-N 411.222 2.758 0 50 HFAA COc1ccc(-c2cn3c(C(=O)N[C@H](C)Cn4cncn4)csc3n2)cc1F 11664637 ZDGPTBCNLBZRIP-LLVKDONJSA-N 400.439 2.621 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 11935563 FHEWNXQABYEMIO-NRFANRHFSA-N 400.454 2.521 0 50 HFAA CCC[C@]1(C2CCN(C(=O)C(=O)[C@@H](C)CC)CC2)NC(=O)N(Cc2ccco2)C1=O 11968845 WFBFFSAIHPQIIJ-OYHNWAKOSA-N 417.506 2.724 0 50 HFAA COC(=O)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 12372820 JGGLOWBIEYVCKX-SFHVURJKSA-N 422.909 2.897 0 50 HFAA Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 20997375 AABUPYYWHJKQFD-LJQANCHMSA-N 419.529 2.901 0 50 HFAA Cc1cccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 65364258 XXKNZUFVMHDYAW-UHFFFAOYSA-N 415.559 2.785 0 50 HFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(Cc3cc(F)cc(F)c3)CC1)C2 67562689 KTIQAMCOKQXNIS-SFHVURJKSA-N 418.488 2.945 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239309527 HQGWYDIJLPPTNX-HRFMKDBOSA-N 422.481 2.635 0 50 HFAA COc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 241126182 JKDKHMMBJKMLBJ-HNNXBMFYSA-N 416.421 2.771 0 50 HFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 328606193 QRVIAAQHZZHZLI-MRXNPFEDSA-N 417.517 2.836 0 50 HFAA Cc1ccccc1Cc1noc(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)n1 431920281 FTEVHTPLZDZSRV-QHCPKHFHSA-N 402.454 2.948 0 50 HFAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)c12 888088389 UMFZSBCHUVGLGS-TXPKVOOTSA-N 409.534 2.873 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](COc3ccccc3C)C2)cs1 952976298 VGGPHTKXQZPMKI-HNNXBMFYSA-N 408.545 2.896 0 50 HFAA O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 1320068847 WOVRNBZYHSUCCS-SFHVURJKSA-N 423.918 2.679 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1N(C)C 1320914670 UJTIRDJERHSXGJ-UHFFFAOYSA-N 406.523 2.958 0 50 HFAA CN1CCC[C@]2(CO)CCN(C(=O)Cn3cc(C(=O)C4CC4)c4ccccc43)C[C@@H]12 1704338355 SETAAPVUYHSDGN-ZJSXRUAMSA-N 409.530 2.539 0 50 HFAA O=C(NC[C@H](O)c1cccnc1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857698848 LCCLXPWWHNMYOA-KRWDZBQOSA-N 400.866 2.942 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1C 1857729883 VICDAABWYHGWHW-IXFSTUDKSA-N 407.470 2.749 0 50 HFAA CC(C)[C@H](NC(=O)C(=O)N(CCO)CCc1ccccc1)c1ccc(F)c(F)c1 1875259260 XEGQUKNVCZTLIM-FQEVSTJZSA-N 404.457 2.842 0 50 HFAA O=C(c1cc2oc(Br)cc2[nH]1)N1CCC2(CCC2)S(=O)(=O)CC1 1875334008 UMUHILCRCMLILT-UHFFFAOYSA-N 401.282 2.707 0 50 HFAA COCCN1Cc2nnc(CCNc3ccccc3)n2[C@H](Cc2ccccc2)C1=O 2356159273 TWOWQDXATLUAIT-HXUWFJFHSA-N 405.502 2.705 0 50 HFAA Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)sc1C 1064544 GACADXDWQZZOTI-UHFFFAOYSA-N 418.338 2.782 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1OC 1104027 CBAOWJOMDKQAEF-UHFFFAOYSA-N 410.536 2.507 0 50 HFAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O 2873902 UOGZQGRYLRMGAQ-GFCCVEGCSA-N 410.879 2.904 0 50 HFAA O=C(O)CCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br 2902280 LOXCFRCPKBNKDX-RVDMUPIBSA-N 421.247 2.794 0 50 HFAA Cc1nn([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1Cl 4785076 YFHRQXKZTYXGCV-CQSZACIVSA-N 424.954 2.638 0 50 HFAA O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N1CCN(c2ccccc2F)CC1 8588377 CGHIKOSJASKFHD-UHFFFAOYSA-N 422.435 2.881 0 50 HFAA O=C(NCc1ccncn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12433165 WZHRWKBRUPZAGM-UHFFFAOYSA-N 414.513 2.955 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2n1 13958776 BSNSMHRXVZQVQP-PHIMTYICSA-N 422.411 2.706 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)n(C)n1 14733053 SFBTYHXSJIAVFN-NRFANRHFSA-N 424.545 2.931 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 14979022 IDPGZEHKSXHLNV-JOCHJYFZSA-N 414.594 2.986 0 50 HFAA CN(C)[C@H]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 20452351 XNTAFWVCOBPZQV-IBGZPJMESA-N 408.612 2.783 0 50 HFAA CCOC(=O)C1=C(C(=O)OCC)CC2=C(C1)CC(C(=O)OCC)=C(C(=O)OCC)C2 38427814 PQVBVGLJGGJPEL-UHFFFAOYSA-N 420.458 2.716 0 50 HFAA CCOC(=O)CN(C)Cc1ccc2c(NC(=O)C(C)C)c(C(=O)OC)sc2n1 39356324 FPVKIDBMXXQPON-UHFFFAOYSA-N 407.492 2.672 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC3CCC3)cc2Cl)CC1 95511299 FITRSGDKFCAUAF-UHFFFAOYSA-N 400.928 2.673 0 50 HFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2)C2=C1C(=O)OC2 169758110 HQYWUEOAUKVTSO-OAQYLSRUSA-N 421.453 2.910 0 50 HFAA CSCC[C@@H](NC(=O)CCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 223227286 AXBAAVITBTYLJJ-QGZVFWFLSA-N 423.498 2.555 0 50 HFAA CCC1(CC)[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@@H](C)[C@H]1OC 252477461 OITPDAJFLLAKGX-CSMYWGQOSA-N 403.566 2.745 0 50 HFAA CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1 749777599 KWXOMASSRDZATR-GDLZYMKVSA-N 417.487 2.590 0 50 HFAA CCCCc1nc(CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)c(Cl)[nH]1 952976457 KOBPGQLVRQMKSU-UHFFFAOYSA-N 418.007 2.644 0 50 HFAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCCOc4cccnc4)CC3=O)sc2c1 1857668575 KVQNGIGHGKHXCZ-HNNXBMFYSA-N 410.499 2.938 0 50 HFAA COc1ccc2[nH]nc(CN3CCC[C@]4(CCc5c(O)nc(N(C)C)nc54)C3)c2c1 1857741451 TVCLDZYEPVSVFB-QFIPXVFZSA-N 408.506 2.613 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2n2cc(Br)cn2)C1 1875371748 KXBQHJHZGWHEQJ-CWRNSKLLSA-N 409.328 2.670 0 50 HFAA Cc1cccc(-c2cc(=NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)[nH][nH]2)c1C 2325851545 BTNFJGQAIURWKC-LBPRGKRZSA-N 415.544 2.719 0 50 HFAA CC(C)n1nccc1-c1nc(COc2cccc(F)c2)nn1C[C@H]1COCCO1 2356145623 FYIXGXFWYCQPSY-KRWDZBQOSA-N 401.442 2.856 0 50 HFAA O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1 1148722 QRWWPPJPBXBPGC-UHFFFAOYSA-N 412.490 2.948 0 50 HFAA O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccccc1Br 1162441 WXVYIROQJAJVEY-FOWTUZBSSA-N 405.248 2.672 0 50 HFAA Cn1c(=O)sc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21 4690281 ZRUUFOOLXAXCFA-UHFFFAOYSA-N 422.572 2.864 0 50 HFAA CC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 4833603 FCJXOOLOHHNZMO-RDJZCZTQSA-N 412.243 2.772 0 50 HFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 9620687 ROARIYRZWYUWQS-IBGZPJMESA-N 409.534 2.891 0 50 HFAA CCOC(=O)N1CCC(NC(=O)CN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1 12160850 HQUQABAIUFHBBW-CQSZACIVSA-N 409.914 2.660 0 50 HFAA Cn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c2ccccc21 12200810 RENVESKHUDHCJT-INIZCTEOSA-N 421.501 2.827 0 50 HFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)CSC)CC1)c1ccccc1 12590087 FKQOSFWOBIQSOJ-LJQANCHMSA-N 402.520 2.736 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14542101 JVNZDKADPXEIKR-IBGZPJMESA-N 412.534 2.683 0 50 HFAA COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCN3CCCC3=O)C2)cc1C 19745900 LBSKSMYDIVPXEZ-RTWAWAEBSA-N 413.562 2.829 0 50 HFAA COc1ccc(OC)c(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19841024 GNSJGDDYAYURLS-UHFFFAOYSA-N 415.515 2.947 0 50 HFAA CCc1nn2c(ncc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccc(F)cc1 40396872 NNIHHERKSOXXJE-UHFFFAOYSA-N 421.476 2.745 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 48016359 ZXDNCXAJBJXUHU-UHFFFAOYSA-N 412.456 2.748 0 50 HFAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)n1 61720229 ZBYXGRXYHJGQEM-UHFFFAOYSA-N 413.507 2.584 0 50 HFAA O=C(c1ccc2[nH]cnc2c1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71759305 GPDGUOWNJBNCBP-GOSISDBHSA-N 409.534 2.502 0 50 HFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)NC1CCCCC1 169758004 TZKFEMXSZCJCRD-SFHVURJKSA-N 403.866 2.666 0 50 HFAA COc1ccc(OC)c([C@H](C)NC(=O)CN2C(=O)N[C@@H](C3(C)CCCCC3)C2=O)c1 170595694 YSQGKTCROCDJGP-IFXJQAMLSA-N 417.506 2.772 0 50 HFAA COc1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1Br 170599306 AJUULVXCGRKXMN-UHFFFAOYSA-N 410.289 2.887 0 50 HFAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1 170690741 LWLUWIFGSNECBT-SFTDATJTSA-N 409.596 2.653 0 50 HFAA CC(C)C[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239762078 CKTAPAWCFUCJMD-VAMGGRTRSA-N 423.513 2.883 0 50 HFAA CC(C)(C)OC(=O)NC[C@@H](Cc1cccnc1)CN1CCC[C@H](CCC(N)=O)C1 252535833 GZLMZPRBQWCIEA-IEBWSBKVSA-N 404.555 2.743 0 50 HFAA COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 328605939 PVJYOVFTMGSUJJ-XOBRGWDASA-N 416.453 2.660 0 50 HFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC[C@]4(CC3)CNC(=O)O4)sc21 426497333 XRJJQLZLXDGQNV-HNNXBMFYSA-N 402.398 2.758 0 50 HFAA CC(=O)N1C[C@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)Oc2ccccc21 742922864 CWAHSOANHGWESR-LJQANCHMSA-N 406.398 2.558 0 50 HFAA CC[C@H](c1ccccc1)c1nn2c([C@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726905 PMDKNYLKQMYYNT-LSDHHAIUSA-N 405.549 2.867 0 50 HFAA COCCN(Cc1cccnc1)S(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C 1506412765 OIPGVPFEKWYCFX-UHFFFAOYSA-N 406.533 2.987 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3ccc4c(c3)OCO4)C[C@@H]1CN(Cc1nccs1)C2 1772707407 SGHYSCQELRYPLK-IERDGZPVSA-N 415.515 2.671 0 50 HFAA CCOc1cc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1O 1857693829 OIUIOZDBZYIPOA-INIZCTEOSA-N 416.503 2.817 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NCCCc2ccccn2)C[C@H]1NC(=O)c1ccc[nH]1 1857695113 UQWJQGFWZWRXIQ-IOMROCGXSA-N 412.534 2.852 0 50 HFAA Cc1sc2nc(-c3cccnc3)nc(N3CCC(S(N)(=O)=O)CC3)c2c1C 1875256749 ALVYSZXDJVTDFX-UHFFFAOYSA-N 403.533 2.627 0 50 HFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)c1OC(C)C 1075293 LWMZIZYHRKJGML-KSSFIOAISA-N 404.463 2.833 0 50 HFAA Cn1c(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)nc2ccccc21 12191839 TWJFUBQZSXTWHD-KRWDZBQOSA-N 408.477 2.810 0 50 HFAA CC(C)CN1CCC2(CC1)C(=O)N(CCCN(C)C)C(=O)N2CCc1ccccc1 14750818 YGMYQTGSMPWWHH-UHFFFAOYSA-N 414.594 2.936 0 50 HFAA CN(Cc1cccc2cnccc12)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 15070790 QEEIEVFSVKOMGW-IBGZPJMESA-N 414.531 2.646 0 50 HFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1scnc1C 15074607 DJFGONUDXSVPIN-IBGZPJMESA-N 408.612 2.736 0 50 HFAA COc1cc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 20601748 AGGBGYLNJLAMJT-IBGZPJMESA-N 402.539 2.619 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2scnc2-c2ccccc2)o1 20911081 IDKGAOKWTJYYCX-SFHVURJKSA-N 424.526 2.718 0 50 HFAA CCCCOc1ccc(C(=O)NCC(=O)NCCN(CC)CC(F)(F)F)cc1 225578312 DHMCALUHJMSCLJ-UHFFFAOYSA-N 403.445 2.596 0 50 HFAA C[C@]1(c2cnccn2)NC(=O)N(Cc2ccc(Br)c3cccnc23)C1=O 225698278 MFHZKIPWTHRALG-GOSISDBHSA-N 412.247 2.755 0 50 HFAA C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 253406329 YAYMLDODNYEWLD-ZTFGCOKTSA-N 411.468 2.916 0 50 HFAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccccc1OCc1c(F)cccc1Cl 826621823 FZCFRSRKUBORJI-RBUKOAKNSA-N 424.925 2.629 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 952987866 ONKGPIWWLUGJSG-ZDUSSCGKSA-N 414.425 2.812 0 50 HFAA O=C(c1ccc2c(c1)CCCO2)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857733286 CXAXSOUUCJQLQU-LEEZEASISA-N 404.466 2.926 0 50 HFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cncc(NCc2ccc(CO)o2)n1 1875361134 QNWFHWUKKGJEAT-NRFANRHFSA-N 421.501 2.741 0 50 HFAA CCc1cc(CN2CCC[C@@]3(CCCN(C(=O)Cn4ccc(C)n4)[C@H]3C)C2=O)on1 1940196900 CPUITQANYOCCGO-JTSKRJEESA-N 413.522 2.562 0 50 HFAA CC(C)(C)c1cc(CNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)[nH]n1 2356144503 AUUNHDPEFVHNFU-DLYSWHJUSA-N 407.518 2.655 0 50 HFAA CCOc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 821528 CVBGEJSHIPBNQW-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1OC 894942 HVIMPSAVGIWBBB-GOSISDBHSA-N 406.232 2.879 0 50 HFAA biogenic CC12CN(C(=O)c3ccco3)CC(c3ccccc3)(CN(C(=O)c3ccco3)C1)C2=O 1079002 FCWDFTKNDSUJCO-UHFFFAOYSA-N 418.449 2.998 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2C(C)C)cc1 1231913 WWZYRBXWUNKWFS-UHFFFAOYSA-N 422.572 2.981 0 50 HFAA COc1ccc(OC)c(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)c1 5090816 SECYBHNBRIGROB-LLVKDONJSA-N 400.715 2.823 0 50 HFAA O=C(O)CCc1nn2c3ccccc3n(CCOc3ccccc3Cl)c2nc1=O 9668624 IDYNDECEXGBZJI-UHFFFAOYSA-N 412.833 2.794 0 50 HFAA CCOC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 11936327 ASHUITJHAOQFGM-CQSZACIVSA-N 403.479 2.878 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12430281 GJJWYPZXPFCRFZ-KRWDZBQOSA-N 407.522 2.660 0 50 HFAA O=C(Cn1cccn1)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 12710652 VNCCZUZDYZEDIT-NRFANRHFSA-N 401.599 2.852 0 50 HFAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCC1(O)CCCCC1)C2 14740943 WFXIZNMNAVHCMD-FQEVSTJZSA-N 422.573 2.761 0 50 HFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 17093243 IUUIBSXIDACADS-QGZVFWFLSA-N 422.572 2.895 0 50 HFAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 67982985 DXPDSWWKPJJRCX-UHFFFAOYSA-N 401.532 2.916 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NCCC1=CCCCC1 169755606 YMZGHIOVPIFHBS-UHFFFAOYSA-N 406.486 2.662 0 50 HFAA Cc1ccoc1C(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 225731600 LFLYPNFVBUOXRI-UHFFFAOYSA-N 418.656 2.770 0 50 HFAA CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C[C@H]1O 252512739 VEYOVXYWCIKBNL-CEWLAPEOSA-N 416.562 2.950 0 50 HFAA Cc1cc(CN2CCN(Cc3csc(CNC(=O)c4ccccc4)n3)CC2)no1 470964472 YUAZGOOYUMXTGJ-UHFFFAOYSA-N 411.531 2.687 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1OC(F)F 670444509 YTYVHOQJJWTENG-VRVFXRSRSA-N 413.468 2.585 0 50 HFAA CC[C@@](O)(C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC)c1cccc(Cl)c1 800524486 JZTDXPDHZWAIGZ-PXNSSMCTSA-N 409.841 2.814 0 50 HFAA Cc1sc2nc(CCNC(=O)[C@@H]3CCCN(c4ccccn4)C3)nc(O)c2c1C 827736485 ZMPJBXXYEQYLRZ-OAHLLOKOSA-N 411.531 2.984 0 50 HFAA COc1cccc([C@@H]2CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2)c1OC 1506406068 YOQCFKOXKITHMP-LJQANCHMSA-N 424.497 2.806 0 50 HFAA COc1cnc(C)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857728218 RXQCSRIJQIXTAW-ABSDTBQOSA-N 401.894 2.996 0 50 HFAA Cc1nc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CCC4(C)CC4)C[C@]34CC[C@H]2O4)cs1 1857735484 PNRFZWVKSQQSPL-GYQJYAJYSA-N 403.548 2.768 0 50 HFAA COc1ccc2[nH]nc(CN3CCO[C@@H](CO)[C@@H]3c3ccc(OC)c(OC)c3)c2c1 1875244930 AXOJIWCIOXOTEK-VXKWHMMOSA-N 413.474 2.523 0 50 HFAA CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CC)c2noc(C)n2)cc1)c1noc(C)n1 2325739479 OSSUNRGEMYJCCS-IYBDPMFKSA-N 412.450 2.832 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1 814578 ZPESRLIATNHVGN-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1 3628999 UKUOZWCHGRXMJE-LJQANCHMSA-N 404.488 2.926 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O 4591762 IOJHDRPICYLNGH-ICSRJNTNSA-N 402.516 2.686 0 50 HFAA COCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCCCC3)c2)CC1 12456157 NXJGUIAOAOIOBU-NRFANRHFSA-N 406.567 2.779 0 50 HFAA Cc1nn(CC(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c(=O)c2ccccc12 12457783 NMVLKTRSZUYCFN-HXUWFJFHSA-N 404.514 2.528 0 50 HFAA COc1cc(OC)c(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)c(OC)c1 14534101 UATGRRXLMRMMTJ-UHFFFAOYSA-N 419.522 2.597 0 50 HFAA C/C=C(\C)C(=O)N1CCC([C@@]2(CCC)NC(=O)N(CC[C@H]3CCCN3C)C2=O)CC1 14887759 KBZBNLOMBQQCIY-GKRXLPNUSA-N 418.582 2.766 0 50 HFAA O=C(Cc1ccccc1Cl)N1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 14992030 XZWMQNGEXYMNGX-MRXNPFEDSA-N 415.925 2.649 0 50 HFAA COc1ccc(-c2n[nH]cc2CN2CC(=O)N(Cc3ccccc3)C[C@@H](OC)C2)cc1 19112926 WHVACNBVANWICN-QFIPXVFZSA-N 420.513 2.945 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CNC(C)=O)C3)cc2)c1 20858522 AQODCAOPEPHZLY-IBGZPJMESA-N 409.486 2.675 0 50 HFAA O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100075210 UHLFKXNYBAAKTC-LSOMNZGLSA-N 402.406 2.949 0 50 HFAA CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1C 170603459 GKJGQSJURVZRSB-XOKHGSTOSA-N 409.324 2.937 0 50 HFAA CC(C)CN(C(=O)COc1cnccc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 225500889 UJCHYWFVFDFYCG-GOSISDBHSA-N 402.516 2.799 0 50 HFAA COC(=O)c1cc(CNC[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)ccc1OC 241124248 JGRPGVYDLRSQKQ-CMKODMSKSA-N 403.519 2.941 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cncs2)CC1 299799655 UHZMUWMDIUXPBL-SFHVURJKSA-N 405.495 2.553 0 50 HFAA O=C(Cc1ccc(O)nc1)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952894122 PSSREKBGJUXFCZ-SFHVURJKSA-N 419.363 2.507 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cnc3c(c2)CCCC3)cc1OC 1529161772 PKHXDUBJQWGDSF-FGZHOGPDSA-N 412.486 2.552 0 50 HFAA O=C(c1cccn(Cc2c(Cl)cccc2Cl)c1=O)N(CCO)Cc1ncc[nH]1 1704307927 NJEMIZMNUXBUSS-UHFFFAOYSA-N 421.284 2.561 0 50 HFAA CC1CCN(C(=O)COc2ccc(-c3nccn3C[C@@H]3CC(=O)N(C)C3)cc2)CC1 1857708358 POAHDCQOUWCJGN-GOSISDBHSA-N 410.518 2.666 0 50 HFAA NC(=O)[C@@H]1CCCN(c2ccccc2CNC(=S)N[C@@H]2CCc3ccccc3C2)C1 1875264451 JFCVCMYUMOPPRN-NHCUHLMSSA-N 422.598 2.910 0 50 HFAA O=C(NC[C@H]1CC2(CCOCC2)CN1c1nccnc1F)c1cncc2ccccc12 1875358838 LLCLYCBGVFSMGG-QGZVFWFLSA-N 421.476 2.969 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncccc2Cl)CC1 2100537110 IXHKBNXVZOHCOP-UHFFFAOYSA-N 401.898 2.552 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1ccc(CO)cc1 2100544852 MAFGKUXHEQHVTN-ACRUOGEOSA-N 402.535 2.885 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4nccn4C)C3)[C@@H]3CCCC(=O)N23)c1 2356139577 STNUPWCRASTESQ-ZFMNYDKASA-N 422.529 2.513 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC1)OCC2 2356161637 CMSAQVLPHHKCHF-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA CCOc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 2932258 OZTDASKGPFPLHY-UHFFFAOYSA-N 422.572 2.901 0 50 HFAA C[C@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1 11813102 JGUKSTIKOZPTIO-GOSISDBHSA-N 421.520 2.938 0 50 HFAA O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1ccc(Cl)cc1 12377134 LYKLPMQGVMEALA-UHFFFAOYSA-N 406.829 2.840 0 50 HFAA CCCCc1nc(CN2CC(=O)N(Cc3ccc(OC)cc3)C[C@@H](OC)C2)c[nH]1 19792643 PKCSBEPVJXUWSK-FQEVSTJZSA-N 400.523 2.620 0 50 HFAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nncn2n1 46016728 OWJCQUQZGAAMMZ-HNNXBMFYSA-N 403.446 2.881 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 77345017 MVIGIQWZJQXPTH-GOSISDBHSA-N 416.518 2.534 0 50 HFAA O=C(COc1ccc(Cl)c(Cl)c1)NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101863592 WCGRVNLSRBIWOI-WVATUKLVSA-N 407.253 2.601 0 50 HFAA Cc1ccc(N2CCCN(C(=O)CS(=O)(=O)NC3CCC(C)CC3)CC2)cc1 170620890 CBBWBCJPLYNVQW-UHFFFAOYSA-N 407.580 2.532 0 50 HFAA CCO[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C12CCC2 170638861 SPJTWLQSMLMFSF-JKSUJKDBSA-N 423.307 2.638 0 50 HFAA Cc1ccc2oc(NC[C@@H]3CN(CC4CCN(CC5CC5)CC4)C(=O)CO3)nc2c1 299770901 NVOJCUJMXXIAGX-LJQANCHMSA-N 412.534 2.898 0 50 HFAA Cc1sc(NC(=O)[C@H](C)CS(C)(=O)=O)nc1-c1ccc2c(c1)CCC(=O)N2 466628668 QWUBMKUUJXDCBX-SNVBAGLBSA-N 407.517 2.622 0 50 HFAA CCCc1ccc(CN2C[C@@H]3CN(C(=O)c4nsnc4C)C[C@]3(CN(C)C)C2)o1 1772808746 AHJKWUSCQDIMHL-IERDGZPVSA-N 417.579 2.528 0 50 HFAA CN1CC[C@]2(C(=O)N3CCCC3)CCCN(C(=O)c3ccc4ncsc4c3)[C@H]2C1 1775980156 SUZSFZUOWUAKLV-SIKLNZKXSA-N 412.559 2.845 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)c3ccc(O)cc3)CCCCC2)o1 1857526310 ZHBWGJOTRFNXPX-SFHVURJKSA-N 401.459 2.801 0 50 HFAA COc1ccc(F)cc1C(=O)NC1(CNC(=O)C[C@@H](O)c2ccccc2)CCC1 1875344362 IIDBDHDKGGBJEN-GOSISDBHSA-N 400.450 2.727 0 50 HFAA C=CC(=O)NCCC(=O)N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1875372179 YOXOOGISLXVMPX-NSPYISDASA-N 409.845 2.797 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3CCC4(CC3)OCCc3ccsc34)ccc2N1 2356142010 ZTPHZWURVGZFOL-UHFFFAOYSA-N 418.540 2.886 0 50 HFAA Cc1ccc2c(c1)N(CC(=O)N1CCC3(CC1)OCCc1ccsc13)C(=O)CO2 2356142188 HUGOJCRKVUNLLM-UHFFFAOYSA-N 412.511 2.873 0 50 HFAA CCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 921093 KYRDSEPMBKOOHH-MRXNPFEDSA-N 406.467 2.947 0 50 HFAA Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 1860970 ZAPVJBHFXJLUSK-UHFFFAOYSA-N 409.269 2.891 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc12 4384893 DOTDHTGXSNFAMF-UHFFFAOYSA-N 400.456 2.588 0 50 HFAA Cc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)c1csc3c1CCCC3)C2 11881831 PXPXGSHVAKENLS-UHFFFAOYSA-N 419.572 2.578 0 50 HFAA COc1cc(CN2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)cc2c1OCO2 12204260 YDFYLVUHJYLDFU-QFIPXVFZSA-N 417.506 2.650 0 50 HFAA COc1cc(CNCC2CCCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 12373380 PCLGMRFOUSPYKY-OAQYLSRUSA-N 406.567 2.562 0 50 HFAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 40287562 AROZZMDNDIRVGZ-UHFFFAOYSA-N 410.424 2.537 0 50 HFAA Cn1nccc1C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55282106 AOYIDDZUHJFTQH-SFHVURJKSA-N 421.467 2.866 0 50 HFAA O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169776871 OEFCZTILZMRTOP-UHFFFAOYSA-N 424.432 2.507 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([S@@](C)=O)CC3)cc2)cc1C 225673420 XJYWPHJKVUJCFR-HHHXNRCGSA-N 420.556 2.745 0 50 HFAA O=C1CCN(S(=O)(=O)c2cc(Br)ccc2OC(F)(F)F)CC1 230533665 KMEQLBWUDKKAMY-UHFFFAOYSA-N 402.188 2.701 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)CC1 239309761 HVKSWMNPZFZTCB-STEAMIEHSA-N 418.515 2.569 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)C1 248318249 OELYAWOCRWTUDG-APWZRJJASA-N 404.507 2.642 0 50 HFAA COc1nc2c(cc1C(=O)N1CCC[C@H](c3cc[nH]n3)C1)C(=O)N(C1CCCC1)C2 426707289 WSNJRZLWOQSBAU-AWEZNQCLSA-N 409.490 2.732 0 50 HFAA CCOc1cc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl 670461182 KNZCETGMCSDDSI-CYBMUJFWSA-N 400.928 2.666 0 50 HFAA CCOc1cc(CN(C)C[C@@H]2CCN(CCOC)C2)ccc1OCCn1ccnc1 952963596 HFYKDKMDTQCKMC-NRFANRHFSA-N 416.566 2.761 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1ccccc1OC)C2 1857694690 UNURQDOPLVRQIB-ZFGGDYGUSA-N 416.562 2.951 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cc(Br)c3c(c2)OCCCO3)CC1 2325889624 ZUXJRBOWLNGDQE-UHFFFAOYSA-N 409.280 2.974 0 50 HFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(-n3cccn3)ccc2C)C1=O 2356169082 UMGFAYLBXQBMRA-OAQYLSRUSA-N 416.547 2.736 0 50 HFAA COc1cc(CNC2CCCCC2)cc(I)c1OCC(N)=O 2891118 GPGPYEXJIOXOEE-UHFFFAOYSA-N 418.275 2.586 0 50 HFAA COc1ccc(N2C(=O)C[C@@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c(OC)c1 5015780 ZZNPFABBMANWPH-SJORKVTESA-N 400.475 2.600 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1 6123556 RRJLCROFZOTCQP-UHFFFAOYSA-N 421.828 2.836 0 50 HFAA COc1ccc(CCNC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1OC 6398523 FUNLZCYPRGAESJ-UHFFFAOYSA-N 401.532 2.649 0 50 HFAA COc1cccc(CC(=O)N2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)c1 11815413 XBRRFVWNADKHHQ-UHFFFAOYSA-N 413.562 2.563 0 50 HFAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@@H](O)CN1CCCCC1 11820397 CIPFRTAKEVVYPF-FQEVSTJZSA-N 402.539 2.584 0 50 HFAA Cc1nc2ccc(C(=O)N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)cc2nc1C 12704617 KGDBMVQAFWLZKP-SFHVURJKSA-N 410.518 2.738 0 50 HFAA CC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716723 YTNRUICKDKQMQF-GOSISDBHSA-N 415.515 2.833 0 50 HFAA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14752743 LVFGFCCKOZZWJA-UHFFFAOYSA-N 424.549 2.660 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CCC3CCOCC3)cc2)CC1 14949452 NOSJMGGGLXBYLF-UHFFFAOYSA-N 418.534 2.592 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C(C)C)no3)cc2)CC1 15079863 MKRNOXMGNLOVBN-UHFFFAOYSA-N 415.490 2.744 0 50 HFAA CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1=O 18031705 MTPYENPPPHZQOH-GASCZTMLSA-N 420.531 2.865 0 50 HFAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H]2CCCCN2C)CC1 19147990 DOUQBJMTDQTHRO-JOCHJYFZSA-N 407.562 2.817 0 50 HFAA COc1cc2nc(CN3CCN(Cc4ccccc4C)CC3)nc(N)c2cc1OC 19740108 VFONHRURIYLWBD-UHFFFAOYSA-N 407.518 2.855 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]45)[C@H]23)c(OC)c1 248184073 GIOZNUPYMKXVJF-JOTSJDLFSA-N 418.449 2.878 0 50 HFAA CC[C@]1(C)NC(=O)N(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)C1=O 252444162 HDOISSPFFFPQIN-XOBRGWDASA-N 415.519 2.575 0 50 HFAA CC(=O)Nc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 263618074 RCXWACVBCNIPKE-UHFFFAOYSA-N 418.501 2.529 0 50 HFAA Cc1csc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299798052 QTGOHCCCTMVCBJ-IBGZPJMESA-N 419.522 2.861 0 50 HFAA O=C(O)CC[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525844 YCNIPFOBPKBQJI-QFIPXVFZSA-N 420.400 2.769 0 50 HFAA COc1ccc(CCCC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 464048011 MOYGBZDQSXKICN-QGZVFWFLSA-N 405.520 2.830 0 50 HFAA O=C(CCC(=O)N1CCc2sccc2C1)N[C@H](C(=O)O)c1cc(F)ccc1F 766955025 SKAAOGUBZYPIMN-SFHVURJKSA-N 408.426 2.633 0 50 HFAA CC(C)n1ccc(C(=O)NCC2CCN(C(=O)CSc3ccccn3)CC2)n1 1506409620 YYOUUDCFBHSLQM-UHFFFAOYSA-N 401.536 2.620 0 50 HFAA C[C@@]1(NC(=O)CC2CCCC2)CCOC2(CCN(C(=O)c3ccccc3)CC2)[C@H]1O 1704333691 DRHZQNSOEDYBKR-XZOQPEGZSA-N 414.546 2.898 0 50 HFAA Cc1nc[nH]c1CN1C[C@@H]2CN(S(=O)(=O)C3CC3)C[C@]2(CCc2ccccc2)C1 1772815795 XIZLVOPFLLESKY-KNQAVFIVSA-N 414.575 2.577 0 50 HFAA CC(C)(Sc1ccc(Br)cc1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875315627 BUCXWHGNJPQKER-UHFFFAOYSA-N 419.308 2.751 0 50 HFAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc2c(c1)CNC(=O)CC2 1875337060 QWECVCQMQRPXAV-OAQYLSRUSA-N 422.460 2.555 0 50 HFAA COc1ccc(CN2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1Cn1cccn1 2356162425 JWDPLMASSRBMAK-QHCPKHFHSA-N 404.518 2.623 0 50 HFAA CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O 1574763 GPXPJKFETRLRAS-AHUKKWBBSA-N 418.486 2.734 0 50 HFAA biogenic,in-vitro COc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 4195777 GZUBFRUKQBOUMJ-WMLDXEAASA-N 400.500 2.829 0 50 HFAA O=Cc1ccc(OCCO[C@H]2OCCO[C@H]2OCCOc2ccc(C=O)cc2)cc1 4530358 SLKXDSUCYZPQDP-SZPZYZBQSA-N 416.426 2.502 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccn[nH]2)n1CCCc1ccccc1 11664803 SAVNJMYUDJQRQU-UHFFFAOYSA-N 401.536 2.665 0 50 HFAA C[C@@H](C(=O)N1CCC([C@@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1 11969697 VGZVFRHOKBIADE-VOIUYBSRSA-N 423.488 2.989 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc(C)[nH]n1 12315217 HMMPLOAKJGRWHA-UHFFFAOYSA-N 400.523 2.728 0 50 HFAA CC(C)COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 14034918 IHEQXXMMWYHCSG-LJQANCHMSA-N 416.518 2.928 0 50 HFAA Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)cnn1C 14542877 NHEIQTTWLHBWGZ-UHFFFAOYSA-N 424.549 2.579 0 50 HFAA CC(C)Cn1cc(C(=O)NCCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 14882951 MKDKUSDCDYKBNN-UHFFFAOYSA-N 401.482 2.754 0 50 HFAA CC[C@@H](COC)NC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 14980300 FCUSPPGYYOLXKT-AWEZNQCLSA-N 419.551 2.579 0 50 HFAA O=C(NCCc1cccc(F)c1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15075349 XFSQJJBPUNAIAS-LJQANCHMSA-N 401.526 2.597 0 50 HFAA O=C(CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCN1CCOCC1 19741657 IRKXUTZZNJTZNM-VWLOTQADSA-N 423.557 2.650 0 50 HFAA CCOc1ccc(CN2CCN(Cc3c(C)nn(CC)c3C)C[C@@H]2CCO)cc1 20515746 NCKDKBCBGLUHQE-NRFANRHFSA-N 400.567 2.987 0 50 HFAA Cc1cccc([C@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)c1 72117592 RUGPGXPOUJRWGL-OAQYLSRUSA-N 415.559 2.719 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77486802 YSCMUVASMOELHK-BLRYILKCSA-N 409.530 2.853 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)cc1 169775865 OBEDSGHBJAXCFH-UHFFFAOYSA-N 406.417 2.741 0 50 HFAA CCOc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 263615791 FFSNLNVWASSKLD-HXUWFJFHSA-N 408.458 2.887 0 50 HFAA O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1 469924768 QBCKQBDUODBYTK-CQSZACIVSA-N 406.368 2.954 0 50 HFAA O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)C1(N2CCOCC2)CCCCC1 827661394 WFAYGLHCYLIPML-HXUWFJFHSA-N 403.542 2.941 0 50 HFAA COC[C@@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952893515 MZTBOZDKXPNZMB-OXQOHEQNSA-N 403.498 2.875 0 50 HFAA Cn1cccc1-c1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n[nH]1 1529186398 DBHCWZMNSGAZKE-OPAMFIHVSA-N 401.470 2.639 0 50 HFAA Cc1c([C@H](C)NC(=O)NCc2cnn(C)n2)cnn1-c1cccc(C(F)(F)F)c1 1875257489 CNWAGDIENHESRF-NSHDSACASA-N 407.400 2.888 0 50 HFAA CC1(C)c2ccccc2N(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1C(=O)O 1875322757 GJGQNPIBOBAQPA-SFHVURJKSA-N 403.456 2.788 0 50 HFAA COc1ccc(-c2onc(N3CCCO[C@@H](CN4CCCC4)C3)c2C(=O)O)cc1 2356157743 OXINZGYQCABSEJ-KRWDZBQOSA-N 401.463 2.740 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccccc1 1049480 KOSYCAAAVGRCMV-UHFFFAOYSA-N 408.907 2.820 0 50 HFAA CCn1cc(NC(=O)[C@H](C)n2ncc(Cl)c2C)c(C(=O)NCc2ccco2)n1 2800689 PWNIBXQQFANNGX-LBPRGKRZSA-N 404.858 2.784 0 50 HFAA COc1ccc(C)cc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 2994677 GPPIATRPSSHNAD-UHFFFAOYSA-N 422.572 2.819 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 10462406 BQKJMXMTHZSXSM-PXNSSMCTSA-N 407.470 2.587 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 12058459 PRWKHMQNQJHUKX-QHCPKHFHSA-N 418.509 2.943 0 50 HFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12447319 KNAZWLQHCQJYEO-QGZVFWFLSA-N 409.534 2.513 0 50 HFAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1OC 14741534 HBAKULJGKXYAFZ-KRWDZBQOSA-N 412.534 2.711 0 50 HFAA O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCC(O)CC1 14956939 IFOIBWDOSOAEDT-GOSISDBHSA-N 406.530 2.832 0 50 HFAA O=C(c1cn(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)nn1)N1CCOCC1 14974918 FGGFEIFSJHDFAO-JXAWBTAJSA-N 415.925 2.667 0 50 HFAA O[C@H]1CN(Cc2ccccc2-c2ccco2)C[C@@H]1N1CCN(c2ccccn2)CC1 19787549 MVOMPUSZUWKFMB-VXKWHMMOSA-N 404.514 2.709 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccncc3)CC2)C1=O 20542610 CXLNJXWDGNSLJN-UHFFFAOYSA-N 422.529 2.570 0 50 HFAA COCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 91872581 HGEIOOHRWUTGNF-JOCHJYFZSA-N 414.594 2.643 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 100652114 GJVZDPOWAADTNV-SQEGATDGSA-N 409.482 2.861 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4cccc(F)c4)CC3)n[nH]c2=O)cc1 169770678 ZNJHBGVEWCAYRL-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA COC1(c2nc(-c3cnccn3)no2)CCN(Cc2cc3ccccc3c(=O)[nH]2)CC1 225839445 BETXFWMJEUBGJK-UHFFFAOYSA-N 418.457 2.506 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245242263 SSLMCJSQHOSGLP-AIFLQVKLSA-N 415.493 2.989 0 50 HFAA CS(=O)(=O)CC1(CC(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)CC1 473475842 SHROTNGURFNGAJ-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)N1CCN(c2cnccn2)CC1 918400336 ARIBDFSEHCOPLA-UHFFFAOYSA-N 401.426 2.663 0 50 HFAA Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cccc5c4CCC5=O)C[C@]3(CO)C2)s1 1772817685 VACBXWWMYIOVJQ-MWTRTKDXSA-N 410.539 2.752 0 50 HFAA Cc1nc[nH]c1C(=O)NC[C@H]1[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@]23CC[C@H]1O3 1857733644 SECBRFWQEARFGI-LTVCHDBBSA-N 418.900 2.920 0 50 HFAA C[C@H](O)C(=O)N1CCC2(CC1)OCCc1cc(-c3ccc4c(c3)OCO4)sc12 1857737339 IFVHILIPYJIYDZ-ZDUSSCGKSA-N 401.484 2.915 0 50 HFAA CN(C)c1cccc(-c2nc([C@@H]3CC=CCC3)n([C@H]3CCCS(=O)(=O)C3)n2)n1 1875340662 MEHPZYRAMXXBRU-CVEARBPZSA-N 401.536 2.980 0 50 HFAA Cc1nc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)nc2cc(S(C)(=O)=O)ccc12 12099216 QGSXBFQZCJAWLA-MRXNPFEDSA-N 418.563 2.720 0 50 HFAA NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)CC1 13628266 IDTNNRVXVUPSGV-GOEBONIOSA-N 421.423 2.881 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCCc1cccnc1)CC2 14733111 ICWPBRCONOAZEW-FQEVSTJZSA-N 403.530 2.777 0 50 HFAA Cc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)o1 14967405 CJEMVXCPFXGIBR-KRWDZBQOSA-N 409.408 2.614 0 50 HFAA O=C(NCc1ccc(F)c(F)c1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15064081 KEXYHYKHIUJUAL-KRWDZBQOSA-N 405.489 2.694 0 50 HFAA CCOc1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)cc1 20602496 VNHBOPZRXDMQNL-UHFFFAOYSA-N 402.314 2.885 0 50 HFAA CCCn1nccc1C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77470200 AZMJDBMXTKRBKE-UHFFFAOYSA-N 412.490 2.799 0 50 HFAA O=C(NC1CCOCC1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 92001367 XSVIMFFTUFXJNI-OAQYLSRUSA-N 411.590 2.625 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1 206239433 HEZZWHDNELEDPN-OAHLLOKOSA-N 402.476 2.608 0 50 HFAA C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 229752890 FHTMINSWFXHFIA-WQUFCNLUSA-N 404.459 2.683 0 50 HFAA biogenic CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[C@@H](OCc2ccncc2)C1 239672500 BTLTWPXPGIDNCO-WIYYLYMNSA-N 424.545 2.721 0 50 HFAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2cc(CC(C)C)n[nH]2)CC3)n1 299778574 GXMOYASBXGOKLW-IBGZPJMESA-N 409.534 2.870 0 50 HFAA CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)c1 328598917 PATQXIAMZQQLCE-UHFFFAOYSA-N 413.477 2.549 0 50 HFAA CCc1cc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)nc(N2CCOCC2)n1 1704302652 AUPFPSZATIQJEM-SFHVURJKSA-N 404.536 2.842 0 50 HFAA C[C@@H](NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1)c1n[nH]c(=N)s1 1857716044 UCRQQCQFLLNSAR-SECBINFHSA-N 406.899 2.839 0 50 HFAA O=C([C@@H]1C[C@H]1C(=O)N1CCOc2cccc(F)c21)N1CCOc2cccc(F)c21 2325741828 LSKLWQDTQISJPT-CHWSQXEVSA-N 400.381 2.752 0 50 HFAA Cc1ccc(OCCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCn2ccnc2)cc1C 2325786947 JDQGRLZBKWYIHN-NHCUHLMSSA-N 412.534 2.903 0 50 HFAA CO[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1 2332238900 PCNNSKDNXXDTBT-RBSBEOHCSA-N 422.547 2.814 0 50 HFAA Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1C 916528 DNQJPLWJOUJLCJ-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 1058453 HYMXHDGMQFWQFL-UHFFFAOYSA-N 424.906 2.687 0 50 HFAA COC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc(C(C)=O)c1C 1134396 PXZWNLPDFFKZFD-UHFFFAOYSA-N 414.439 2.671 0 50 HFAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 2855314 UXIMPTAWCJJGQK-HNNXBMFYSA-N 421.906 2.768 0 50 HFAA biogenic COc1ccc(OC)c([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)c1 4724033 IRLOFTKFVMICCF-HXUWFJFHSA-N 405.458 2.901 0 50 HFAA COc1cccc2c1cc1c(=O)n(CC(=O)NCCCc3ccccc3)nc(C)n12 6749741 UDBCGICQBQWFMR-UHFFFAOYSA-N 404.470 2.715 0 50 HFAA COC(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)cc1 11783748 YSUKRAZGAHCAES-OAQYLSRUSA-N 423.513 2.812 0 50 HFAA COc1ccccc1/C=C/CN1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12028598 YLHVPHMIEMFEPA-QPGLYAHGSA-N 409.534 2.948 0 50 HFAA CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O 12036834 LQWUZTWSMFEZMI-UHFFFAOYSA-N 418.582 2.763 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)N(C)CCCn2nc(C)cc2C)CCC1=O 12297637 NZWGJOWEBFQSIP-HXUWFJFHSA-N 412.534 2.796 0 50 HFAA Cc1nn(C)c(Cl)c1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C 14742905 KTDDRALYSJRXMY-UHFFFAOYSA-N 415.925 2.811 0 50 HFAA Cc1nnsc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 14961131 DTQPCTXZTXHBSB-QGZVFWFLSA-N 419.570 2.902 0 50 HFAA CN(C)CCSc1nnc(CNC(=O)C2(c3ccccc3)CCCCC2)n1C 14979511 HMBOXOJMVYREIW-UHFFFAOYSA-N 401.580 2.987 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCCN2C)n1CCCc1ccccc1 19336697 RCYLHPSFZKYAJD-HXUWFJFHSA-N 418.607 2.836 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc3cc(F)ccc3[nH]1)C2 23128648 YMNSPCKKNABUNE-UHFFFAOYSA-N 409.465 2.958 0 50 HFAA CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(c2ncccn2)CC1 170610080 KZICWKABUZOGOD-KRWDZBQOSA-N 403.527 2.599 0 50 HFAA CN(CC(=O)N[C@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1 170611454 YRTHBXLICXIHNZ-ZDUSSCGKSA-N 414.936 2.921 0 50 HFAA COc1ccc(F)c(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)c1 200562020 ILDKBUDDOLPNQT-UHFFFAOYSA-N 417.481 2.869 0 50 HFAA CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[C@H](OCc2ccncc2)C1 225518880 BTLTWPXPGIDNCO-RXVVDRJESA-N 424.545 2.721 0 50 HFAA COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@H]2O4)cc1 252346991 PLXPCTVJFVJIRG-AWWSKVOZSA-N 406.438 2.629 0 50 HFAA COc1ccccc1[C@@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)N1CCCC1 253415348 KXFXJQVXBXWNNL-GOSISDBHSA-N 420.506 2.805 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5)CC4)c3CO2)cc1 263617952 QPRGBQHPNNLIBV-NRFANRHFSA-N 419.485 2.521 0 50 HFAA NS(=O)(=O)c1cccnc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 301260481 LGNGMQIYVJJYKM-UHFFFAOYSA-N 415.437 2.908 0 50 HFAA Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC3(O)CCOCC3)cc12 478526470 JZRNEGJZCMLWPS-UHFFFAOYSA-N 403.479 2.865 0 50 HFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 825698871 GJVNVIJNPBZERH-UHFFFAOYSA-N 406.385 2.778 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952966119 DFUAZARMSNBIEI-UHFFFAOYSA-N 412.471 2.806 0 50 HFAA CCOc1cc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)ccc1Cl 952984709 QXFDIGCBDKOXKT-UHFFFAOYSA-N 412.895 2.869 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3nc(C)no3)C[C@]2(CCc2ccccc2)C1 1772712246 LZATXXABRQAAHL-GHTZIAJQSA-N 400.548 2.634 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](CO)Cc3ccccc3)CCSCC2)o1 1776111639 IMFKXUWJWDLMEK-QGZVFWFLSA-N 417.527 2.529 0 50 HFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C1)CC2 1857740626 MTXYZLWCBMPLBX-HSZRJFAPSA-N 403.486 2.856 0 50 HFAA CC[C@](C)(CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)N1CCOCC1 1875257803 BABLQORGRJXBFF-FYYLOGMGSA-N 420.598 2.877 0 50 HFAA C[C@@H](Cn1cc(C2(O)CCCCC2)nn1)NC(=O)c1cnn(C)c1Cc1ccccc1 1875358315 RBFBGDKNVWJNKW-KRWDZBQOSA-N 422.533 2.573 0 50 HFAA O=C(N[C@H](CNC(=O)C1CC=CC1)c1ccc2ccccc2c1)c1cnnc(O)c1 1875358765 JDWUUQYHNHOVHC-HXUWFJFHSA-N 402.454 2.889 0 50 HFAA CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)c1 2325708350 YTWPSFLJKBPSQC-FQEVSTJZSA-N 418.541 2.872 0 50 HFAA COCc1ccc(C(=O)OCC(=O)/N=c2/cc[nH]n2Cc2cccc(C)c2)cc1OC 2325740035 IZVBMFYTZQRSCU-DAFNUICNSA-N 423.469 2.612 0 50 HFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)NCCO 2207690 PTSWUJNZLIOELF-GFCCVEGCSA-N 402.472 2.663 0 50 HFAA CSCC[C@@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)C(=O)O 4698230 XMJYYSWENYTAFV-XYGUXCPDSA-N 404.513 2.842 0 50 HFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 9295430 QEFJDLPVQWCLHX-UHFFFAOYSA-N 424.530 2.847 0 50 HFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 10462408 BQKJMXMTHZSXSM-FXAWDEMLSA-N 407.470 2.587 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC(OCc3ccccc3)CC2)n1CCOC 12317444 FZRHZWGVAZKCGY-UHFFFAOYSA-N 421.563 2.504 0 50 HFAA COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c1 14879912 PYNLXSBMQHLKEY-UHFFFAOYSA-N 419.529 2.626 0 50 HFAA Cc1cnccc1CN(C)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 20600601 ZPYIQGMUUKPJPN-IYBDPMFKSA-N 413.547 2.981 0 50 HFAA CN1C(=O)[C@@](CC(=O)NCCc2cnccn2)(Cc2ccccc2)c2ccccc21 71761132 KVNSZTQHXVOWEH-XMMPIXPASA-N 400.482 2.683 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)cc1 169757964 QBHLTKAITTZNIV-JOCHJYFZSA-N 419.481 2.621 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4c(F)cccc4F)ccn3n2)c1 169781156 YOCUTXSEQOGJBL-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA COc1ccc([C@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)c(OC)c1 170618234 SALSDLUPGSQPOB-LJQANCHMSA-N 415.515 2.775 0 50 HFAA CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(F)cc2Br)cn1 225417685 CELJQDFUAKDOIB-IZHWHUGBSA-N 414.300 2.750 0 50 HFAA CON(C)C(=O)CCSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 225794643 YYNGLWDMKPDVMN-HUUCEWRRSA-N 407.540 2.904 0 50 HFAA Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239159650 MOAFUDQMFNAOIK-PNZLXGSGSA-N 415.287 2.749 0 50 HFAA Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 253387495 ZHUIUFXUGYVAPI-DARKYYSBSA-N 422.525 2.974 0 50 HFAA O=S1(=O)N=C(O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 328595848 GPLQLEQCEVWFRU-UHFFFAOYSA-N 407.256 2.801 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC(=O)N2C)cc1 334160437 DTRVTOSHDNJFMC-OXQOHEQNSA-N 414.458 2.879 0 50 HFAA CC[C@@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(=O)N(C)C 426490307 MNRJKSIFAFIVKL-QGZVFWFLSA-N 404.536 2.508 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 685076814 QUHMWGZPRDSJEF-VQIMIIECSA-N 416.547 2.688 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1CCC2(CC1)Nc1ccccc1NC2=O 952962808 HJUCUGLYULCBDY-UHFFFAOYSA-N 406.486 2.562 0 50 HFAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccc2nsnc2c1 952980501 XMUQOXCUMSLHRU-UHFFFAOYSA-N 412.515 2.561 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CCc3ccccc3C2)C1 1857681257 FXDBOHUEXJTOED-GIFXNVAJSA-N 411.590 2.784 0 50 HFAA COc1ccc(F)c(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 1857683563 JPLXUWMDHZCJKU-AWEZNQCLSA-N 404.467 2.860 0 50 HFAA COc1cc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1F 1857694148 CFQPXOOZJGCWPP-OAHLLOKOSA-N 404.467 2.860 0 50 HFAA CCn1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)COc2cccc(Cl)c2)C3)n1 1857703525 UGEHICKSUZOHGM-QVDMIQRCSA-N 416.909 2.602 0 50 HFAA CCN(Cc1nc(C(C)C)no1)C(=O)[C@@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857723259 XJGAMIGJVMHKKK-GFCCVEGCSA-N 406.512 2.570 0 50 HFAA Cc1nc(-c2cn([C@@H](C)CNC(=O)[C@]3(C)CC(c4ccccc4)=NO3)nn2)cs1 1875355067 YXFHTFNIVKMZCU-RBZFPXEDSA-N 410.503 2.971 0 50 HFAA C[C@@H]1CCc2c(sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 944919 JICOCVNVGBZBMB-LLVKDONJSA-N 411.483 2.597 0 50 HFAA O=C(NCc1cn2c(n1)SCC2)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11820336 UYCKXRXXRJSEKC-OAHLLOKOSA-N 418.950 2.740 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1 11839004 FQXFPAJURUUDLR-OAQYLSRUSA-N 405.583 2.565 0 50 HFAA COc1ccccc1-n1cc(CN2CCC[C@H](CNC(=O)c3cc(C)on3)C2)cn1 11933455 DTTZARNHKHROLI-QGZVFWFLSA-N 409.490 2.819 0 50 HFAA COC(=O)CCCNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11957203 AMDFAEHLRYXNIG-UHFFFAOYSA-N 422.529 2.918 0 50 HFAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1NS(C)(=O)=O 13678550 PPOVAFXYKFIPQZ-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCc1cccnc1)C2 14748101 RBERVKYTPCQDPA-SFHVURJKSA-N 413.591 2.567 0 50 HFAA O=C(Nc1ccc2c(c1)CN(S(=O)(=O)Cc1ccccc1)CC2)[C@@H]1CCCO1 14966661 QMSFGIWIMUKVOE-FQEVSTJZSA-N 400.500 2.692 0 50 HFAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 19309285 COWDEYDTQDITNY-SFHVURJKSA-N 402.466 2.599 0 50 HFAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@@H](O)CN3CCOCC3)ccc12 20677423 IHQFKSNIOOZCCY-IBGZPJMESA-N 409.482 2.764 0 50 HFAA CO[C@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 20999251 UVPBGZNDXZMLAG-OWLMGLOSSA-N 424.545 2.757 0 50 HFAA O=[S@@]1c2ccccc2N(CCCN2CCN(CCO)CC2)c2cc(Cl)ccc21 22595367 WXJXTMQMAOYROI-NDEPHWFRSA-N 419.978 2.958 0 50 HFAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607602 MRVTWKVETKPZJX-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 40285178 UBLDRHZJVZAXHF-OAHLLOKOSA-N 418.423 2.718 0 50 HFAA O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67621091 QTCBYLCNNJJOCM-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA COC(=O)[C@H](CCCNC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 97756769 CNUDAIIEDFQCCQ-IBGZPJMESA-N 411.458 2.515 0 50 HFAA CCc1ccccc1N1C[C@@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC1=O 328591870 ASOWYCJVOJHQLX-NRFANRHFSA-N 408.546 2.977 0 50 HFAA CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 427572891 IBYINHHQEDVWKL-FQEVSTJZSA-N 417.575 2.942 0 50 HFAA CCn1ncc(S(=O)(=O)N2CCCN(c3nc4ccccc4s3)CC2)c1C 952972908 VMXLJROKZWADGZ-UHFFFAOYSA-N 405.549 2.722 0 50 HFAA COCCN1CC2(CCN(c3cc(C(F)(F)F)cc(C)n3)CC2)OCCC1=O 1704326368 ANVDOSNZQHTHBW-UHFFFAOYSA-N 401.429 2.643 0 50 HFAA O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1772492391 CJGDSISGEYIGNY-SBHAEUEKSA-N 421.497 2.595 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 2085258 SBPCONOBSFOKHG-CQSZACIVSA-N 402.582 2.888 0 50 HFAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(OCC(=O)O)cc1 4657460 ITRZTHCUDSZPJN-LJQANCHMSA-N 412.467 2.643 0 50 HFAA COCCCn1c(CN2CCC[C@H]2c2ccccc2OC)cnc1S(C)(=O)=O 12434257 CJBSBIWARUXZAK-SFHVURJKSA-N 407.536 2.669 0 50 HFAA C[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccccc1 14980607 SDODOEDWXFOEGZ-INIZCTEOSA-N 402.516 2.980 0 50 HFAA COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 19851232 DSYBQUHXJQHJLU-UHFFFAOYSA-N 400.273 2.688 0 50 HFAA O=C1C[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccco1 32102404 UTVOCTBBLBZACF-HNNXBMFYSA-N 402.878 2.792 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCc2c(Cl)cccc2C1 55107935 XQHOFJNTSXDUCE-HXUWFJFHSA-N 415.896 2.755 0 50 HFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nnc([C@H]2CCCO2)s1 71283422 FAOJOWZGVPIBRM-CQSZACIVSA-N 417.878 2.905 0 50 HFAA Cc1cnc(CNC(=O)C[C@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)cn1 71759115 PBDQVNPFOHJDLV-DEOSSOPVSA-N 400.482 2.948 0 50 HFAA Cc1cc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)ccn1 82083934 JMWSURKHZLAFNV-JOCHJYFZSA-N 407.562 2.778 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4OC)ccn3n2)c1 169777094 GTPVYGLZTCUGLZ-UHFFFAOYSA-N 418.453 2.610 0 50 HFAA Cc1nc(CO[C@@H]2CCN(C(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)C2)cs1 170599082 PQZGAWXUKIOWTN-CTNGQTDRSA-N 415.559 2.953 0 50 HFAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239310269 IGYYVFKJOWGYIP-PSIIGRPVSA-N 402.450 2.534 0 50 HFAA C[C@H](c1nc2ccccc2s1)N1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 252444228 WUDUWXJEBMPLBA-BRWVUGGUSA-N 410.543 2.884 0 50 HFAA CCn1c(=O)c2ccccc2n(CC(=O)OCCc2ccc(C(F)(F)F)cc2)c1=O 744215312 XVJMMXNIQWTWPX-UHFFFAOYSA-N 420.387 2.988 0 50 HFAA CCCCCCn1cc(S(=O)(=O)N2CC(C)(C)[C@H]2c2ccncc2)c(O)nc1=O 814281268 QBJPOBPCZODOJB-QGZVFWFLSA-N 420.535 2.696 0 50 HFAA NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc1 828158395 DGOIDGNGQMPOSH-FQEVSTJZSA-N 401.532 2.681 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCC1(N4CCN(C)CC4)CCCC1)(C3)C2 952983381 LDOWMVFPWQAVTG-NQRVTCLYSA-N 403.611 2.774 0 50 HFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(OCCN4CCOCC4)cc3)C1)CC2 1704314907 XTUYJULZODKPOR-VWLOTQADSA-N 422.573 2.976 0 50 HFAA O=C(O)CC[C@@]12CN(CCC(F)(F)F)C[C@H]1CN(C(=O)CCc1ccncc1)C2 1772706105 OROZZGMRIGGWIL-LPHOPBHVSA-N 413.440 2.592 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2(c3ccccc3)CC2)cn1 1857712257 HBAOXTHLQRZGNJ-VXKWHMMOSA-N 408.546 2.906 0 50 HFAA O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 851949 DEFUTOXWHBKSOC-UHFFFAOYSA-N 403.456 2.947 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 1151312 CNHWZKNPOKEQAC-AWEZNQCLSA-N 420.487 2.583 0 50 HFAA Cc1c(Cl)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)nn1C 2777658 HAJJTWOJEJNYNS-QMMMGPOBSA-N 405.911 2.970 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 4764763 FWDPWEKTTXOMLS-AHRSYUTCSA-N 411.502 2.540 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCN2CCCCC2=O)C1)NCc1ccccc1F 12594537 JAKZVGRYBUDXEE-SFHVURJKSA-N 417.525 2.863 0 50 HFAA O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(I)cc1 13601689 NDCWQGAGLYHFLR-INIZCTEOSA-N 420.250 2.755 0 50 HFAA CCNc1cc(C(=O)NCc2cc(C)[nH]n2)cc(S(=O)(=O)Nc2ccccc2)c1 14537696 PTVRTEAFOOVXFS-UHFFFAOYSA-N 413.503 2.881 0 50 HFAA CC1=C(CCN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)C(C)(C)CCC1 14887380 XZEDXRMBPDPVKG-SFHVURJKSA-N 403.571 2.944 0 50 HFAA CC(=O)Nc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 14991012 NMGICIJJTSZIAC-HXUWFJFHSA-N 412.538 2.820 0 50 HFAA O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCCN(c2ccccn2)C1 19146580 YCJBFFYUDXTPBD-RBUKOAKNSA-N 415.497 2.875 0 50 HFAA COc1ccc(-c2n[nH]cc2CNC[C@H](c2ccncc2)N2CCOCC2)c(F)c1 20914746 DOMBSBJSVCODSM-OAQYLSRUSA-N 411.481 2.783 0 50 HFAA CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)c1ccc(Cn2nnnc2C)cc1 55414825 KUKBGITZEAAFBR-UHFFFAOYSA-N 403.490 2.919 0 50 HFAA Cc1occc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82092801 HUVJIZAHHPEZSL-GOSISDBHSA-N 410.518 2.616 0 50 HFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1 86053455 OBUAPJQWPKWBCT-UHFFFAOYSA-N 421.505 2.537 0 50 HFAA CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@H]1O 107040139 HPLWRCQIMODPPC-VQTJNVASSA-N 402.516 2.887 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccc(C)cc4)CC3)n[nH]c2=O)cc1 169770595 AQLSJCMCFKYFOM-UHFFFAOYSA-N 420.513 2.885 0 50 HFAA C[C@H](OC(=O)c1cnn(CCO)c1-c1ccccc1)C(=O)N(C)Cc1ccccc1 170616556 UIFXWWCQWFGHAB-KRWDZBQOSA-N 407.470 2.746 0 50 HFAA Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CC(NC(=O)C3CCC3)C2)c1 225423608 XSHPLHKRANCEJU-UHFFFAOYSA-N 420.513 2.786 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 263618426 SXUOVOKXJXOFAK-SFHVURJKSA-N 400.385 2.766 0 50 HFAA O=C(/C=C/c1ccccc1)N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1 334158414 MTGCKWMIAAKLDM-NABFYCAASA-N 407.495 2.984 0 50 HFAA Cc1noc(C[C@H](NC(=O)Cc2ccnc(O)c2Br)c2ccccc2)n1 486096473 ZNYGGNVIMOVOOC-AWEZNQCLSA-N 417.263 2.884 0 50 HFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 769524062 XMJRCEBJSGSXGM-CKEIUWERSA-N 415.506 2.524 0 50 HFAA COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888090752 RGRUGZAIWBENAO-GOSISDBHSA-N 411.458 2.532 0 50 HFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c2)o1 1704298641 JZPAXVJXDLRQOZ-MOPGFXCFSA-N 413.499 2.889 0 50 HFAA Cn1c(CO)nnc1[C@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704308316 HHAUMTIUBZPKGD-LBPRGKRZSA-N 417.853 2.698 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2c[nH]c(=N)nc2-c2ccccc2)[C@H]1c1ccccc1 1857715339 NPVWQUZUYPWBRY-UNMCSNQZSA-N 417.513 2.700 0 50 HFAA Cc1ccc([C@H](C)C(=O)N[C@H](CC(=O)O)Cc2cn(Cc3ccc(C)o3)nn2)cc1 1875355208 CWNOKZJBZOWEJY-WMZOPIPTSA-N 410.474 2.842 0 50 HFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cn4c(n3)CCNCC4)C2)[C@@H]2CCCCN12 2356144978 VENLZXKFSYUORW-WAGURGNTSA-N 413.610 2.780 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCCCC1 664930 LOZJWYJAGXCHNO-UHFFFAOYSA-N 416.543 2.989 0 50 HFAA COc1ccc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11841898 IFYPEALSHIYEIO-XMMPIXPASA-N 421.497 2.758 0 50 HFAA Cc1ccn(CC(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 11843812 FPGLUPZINWPXKK-UHFFFAOYSA-N 412.490 2.620 0 50 HFAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2 12213469 KZFFMHZOOIZVMS-MRXNPFEDSA-N 411.531 2.654 0 50 HFAA O=C(NCCCn1cccn1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12439786 YFANOFPPRWNWCG-INIZCTEOSA-N 408.424 2.847 0 50 HFAA O=C(NCCn1cccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12745014 QJFLHGWTNZYMND-IBGZPJMESA-N 416.529 2.862 0 50 HFAA COc1cc([C@@H]2c3cc4c(c(O)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 13783851 HLBPOYVRLSXWJJ-HWOJHCLVSA-N 414.410 2.624 0 50 HFAA biogenic,in-vitro COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14748330 FNWAZQKJXKTEAF-LJQANCHMSA-N 422.529 2.916 0 50 HFAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 15063046 UGKIDGNRERMYLD-QGZVFWFLSA-N 422.485 2.673 0 50 HFAA COc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](CN3CCCC3=O)C2)no1 15069863 JEBVTQIXXSAHEU-INIZCTEOSA-N 413.474 2.737 0 50 HFAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCCc2cnccn2)cc1 23431487 LKRGCZUFGWVYQM-HSZRJFAPSA-N 406.530 2.681 0 50 HFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 30866647 JCMADWMPIPPDTI-INIZCTEOSA-N 408.506 2.674 0 50 HFAA Cc1ccc2c(c1)CN(CC(=O)NC[C@H]1COCCO1)C[C@@H](c1ccsc1)O2 104352991 JZXZWMHOAUDOFO-ICSRJNTNSA-N 402.516 2.524 0 50 HFAA CCOc1ccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 227156600 GVYWJTZWOIYTEN-HNNXBMFYSA-N 403.504 2.773 0 50 HFAA CC(C)(C)[C@@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 239174309 PSXHFTHTVFDMEV-ZPWNPBNNSA-N 402.516 2.706 0 50 HFAA COc1cccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)c1 244795200 RBKFONYZRUAHNB-IYARVYRRSA-N 409.486 2.787 0 50 HFAA CC(C)c1ccc(N2C(=O)[C@H](CC(=O)NC[C@@H]3COc4ccccc4O3)N=C2O)cc1 252494663 OBKVBWKCYSCBTN-MSOLQXFVSA-N 423.469 2.786 0 50 HFAA C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)C[C@@H](C)O1 252517346 GISHIEGMJYIICV-LVPBSXMGSA-N 404.532 2.715 0 50 HFAA FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CN1CCOC2(CCOCC2)C1 487167324 YIOFTOZGRSVCRA-UHFFFAOYSA-N 417.819 2.716 0 50 HFAA Cn1ncc2c(O)nc(CCC(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)nc21 746814309 MOMIPCRMVNUHIT-OAHLLOKOSA-N 417.416 2.797 0 50 HFAA C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 768999607 NTFFBCNNSTZPEX-RDJZCZTQSA-N 420.465 2.895 0 50 HFAA COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888090753 RGRUGZAIWBENAO-SFHVURJKSA-N 411.458 2.532 0 50 HFAA Cn1c(C2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)nc2ccccc21 1704297666 DSLDCTTZABNAFD-UHFFFAOYSA-N 405.502 2.825 0 50 HFAA O=C(O)CC[C@]12CN(CCC(F)(F)F)C[C@H]1CN(C(=O)CCc1ccncc1)C2 1772706107 OROZZGMRIGGWIL-QFBILLFUSA-N 413.440 2.592 0 50 HFAA COc1ccc(CCC(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857713286 SROHYKXAFMDGJB-IMSXRSKXSA-N 406.482 2.929 0 50 HFAA O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[C@](O)(Cc2cccc(F)c2)C1 1875254825 XFFFCYOIHBQQBU-YJYMSZOUSA-N 411.399 2.879 0 50 HFAA Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CCCC2)c(C)c1OCC(=O)O 2325841242 KPMXMOQUOBIHOG-UHFFFAOYSA-N 407.492 2.959 0 50 HFAA COc1ccc(OC)c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 1137287 VBLQTFZPTLRVHR-UHFFFAOYSA-N 416.858 2.901 0 50 HFAA CCOC(=O)C1CCN(C(=O)C2CCN(Cc3cc(OC)ccc3OC)CC2)CC1 4725554 CEYDEDLNQPPEPH-UHFFFAOYSA-N 418.534 2.718 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)c(OC)c1 12314153 FVPILLRQINKGOW-KRWDZBQOSA-N 418.534 2.765 0 50 HFAA CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OCC)c1 13320373 PBVYOKJZMQLSRR-UHFFFAOYSA-N 424.544 2.692 0 50 HFAA Cc1cccnc1N1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 14960620 WHYCCASJGVWYSG-HXUWFJFHSA-N 424.520 2.659 0 50 HFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1coc(Cn2cnc3ccccc32)n1 15064168 NHEFXEPYVZMZTD-HNNXBMFYSA-N 404.426 2.985 0 50 HFAA Cc1n[nH]c(CNCc2cc(Cl)ccc2OC[C@@H](O)CN2CCCCCC2)n1 19335319 QDIAIVDWNQWUHL-SFHVURJKSA-N 407.946 2.672 0 50 HFAA COc1ccc(NC(=S)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1OC 20294222 SDWSNQKBDXTHKN-UHFFFAOYSA-N 403.552 2.569 0 50 HFAA CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 22239161 BIYOYEGKYHJWDN-UHFFFAOYSA-N 420.531 2.763 0 50 HFAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(CC)CC1)C2 23354187 XCVYPQYOYIBFHU-LJQANCHMSA-N 401.599 2.804 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nc(C)n2)n1 67621761 FGPKBNNUDDYTDI-UHFFFAOYSA-N 412.444 2.828 0 50 HFAA CCCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)[C@@H](C)C(=O)OCC 241720905 QTGREEWRMYYDJS-HNNXBMFYSA-N 404.536 2.940 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1conc1-c1ccccc1 670459537 DLGYBWPOZSQLMS-VMQIMYIWSA-N 414.509 2.639 0 50 HFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 952985191 DVAHUFUANNCELM-CQSZACIVSA-N 419.478 2.746 0 50 HFAA COCCNc1nc2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)ccc2n1C 1506413465 JIWWYDCBQTWNDR-FQEVSTJZSA-N 421.545 2.760 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)CC2 1704316575 VRIYKYCRKYQSFA-HSZRJFAPSA-N 407.566 2.803 0 50 HFAA COc1ccccc1N1CC[C@H](N(C)S(=O)(=O)c2cccc3cnccc23)C1=O 1775997734 QXEANMIURHSHTH-SFHVURJKSA-N 411.483 2.669 0 50 HFAA Cc1nn(C(C)(C)C)c(C(=O)NCC2(F)CN(C(=O)C(C)C)C2)c1Br 2325827489 HVHLJFGQVWYLMS-UHFFFAOYSA-N 417.323 2.645 0 50 HFAA CN(c1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1)S(C)(=O)=O 802893 NBKKIPIFLPREGL-UHFFFAOYSA-N 409.467 2.835 0 50 HFAA CCCCNC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1 2829030 JQCNVRYAVNJZNG-UHFFFAOYSA-N 402.520 2.601 0 50 HFAA COCCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 2884773 HXJINRBVUSSISV-SFHVURJKSA-N 415.421 2.647 0 50 HFAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)c3ccccc3C1=N2 4112532 RZTIDMCOFQOKKN-HOTGVXAUSA-N 405.841 2.816 0 50 HFAA CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 8815934 JGJYVIGWLAJVFX-MNVSYLFESA-N 415.490 2.564 0 50 HFAA COc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 11866000 HWLNIOKMHRFYQW-IBGZPJMESA-N 407.514 2.829 0 50 HFAA CN(C(=O)Cn1c(=O)oc2ccccc21)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11933233 HZQPILCBMSMGPI-LJQANCHMSA-N 405.498 2.685 0 50 HFAA COc1ccc(F)c(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 11980721 KRFHEKIJFJSOKP-AZUAARDMSA-N 406.498 2.643 0 50 HFAA O=C(c1cccnc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2cccnc2)C1 14531599 LJBTWLUZSJWLQL-NRFANRHFSA-N 408.502 2.679 0 50 HFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O 14755727 NIVIGEMMJWZXBT-DQLDELGASA-N 405.498 2.551 0 50 HFAA CC(C)N1CCC(N2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)CC1 20449917 HBFSNTJTUBYXHF-VWLOTQADSA-N 414.638 2.897 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 20512056 SCYFOEMJTBMQMM-HXUWFJFHSA-N 423.469 2.885 0 50 HFAA Cc1ccccc1N1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 35800852 VEJPVRFAQSLPEC-UHFFFAOYSA-N 419.529 2.554 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3c(Cl)cccc3C2)o1 67879532 AUIKBSQILFQJKD-LJQANCHMSA-N 401.894 2.517 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 96900607 BWNOUZJRXJKPTO-GMAHTHKFSA-N 419.525 2.502 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 100043933 KSRADWTYAZTVCQ-JOCHJYFZSA-N 407.514 2.925 0 50 HFAA COc1ccc(-c2cc(N3CCN(C(=O)Cc4cccc(OC)c4)CC3)[nH]n2)cc1 169753224 MYFOJPVBRUGVTC-UHFFFAOYSA-N 406.486 2.985 0 50 HFAA O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(F)c(F)c1F 212513731 GEFOHCFSOXTSMT-OAHLLOKOSA-N 403.360 2.694 0 50 HFAA CC[C@H](C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 252694125 IBXANRPQRNBPCR-JSFVJHESSA-N 403.482 2.653 0 50 HFAA biogenic COCc1c(C(=O)NCc2nc(C)cs2)cnn1-c1nccc(-c2ccco2)n1 299762817 YQOCWSAZIBDSPS-UHFFFAOYSA-N 410.459 2.764 0 50 HFAA CN(CCO)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1-c1ccco1 299772511 AIFVPWBRFSAREH-UHFFFAOYSA-N 407.405 2.793 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 334161806 IWDBKDOXBDOEMM-IBGZPJMESA-N 403.442 2.568 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(CC(=O)N(C)C(C)C)C3)C2=O)c1 426409223 FJATUQCKFTVERP-QFIPXVFZSA-N 405.514 2.516 0 50 HFAA Nc1nsc(N2CCN(C(=O)Nc3ncc(Cc4ccccc4)s3)CC2)n1 484997843 VOXMPHGCOQRLBB-UHFFFAOYSA-N 401.521 2.522 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc1 817044738 LOGHCHARCAWHOL-KRWDZBQOSA-N 421.266 2.854 0 50 HFAA CCCCc1nc(CN2C[C@H]3CN(C(=O)c4ccccc4)C[C@@]3(CO)C2)c(Cl)[nH]1 1772807838 CFKOEOSFAURYEY-HTAPYJJXSA-N 416.953 2.972 0 50 HFAA COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](O)[C@]21C 1772820280 UQNOSWRXLARWGA-WOCRESKASA-N 420.502 2.578 0 50 HFAA CC(=O)N1CCN(c2ccc(-n3ccnc3-c3cnn4c(C)cc(C)nc34)cc2)CC1 2100415284 DHVUTZHCGVXJNP-UHFFFAOYSA-N 415.501 2.867 0 50 HFAA COc1ccc(Cc2nnc(NC(=O)CS(=O)(=O)Cc3ccccc3)s2)cc1 987752 YAQKWFMBZUIYIT-UHFFFAOYSA-N 417.512 2.691 0 50 HFAA CSc1nnc(CCNC(=O)Cc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 11782539 STCVKCKECNCQAB-UHFFFAOYSA-N 414.462 2.758 0 50 HFAA COc1ccc(F)c(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 11980713 KRFHEKIJFJSOKP-QUCCMNQESA-N 406.498 2.643 0 50 HFAA CC(=O)NCC(=O)NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 12127672 QDSTVGLNYDYDSX-QGZVFWFLSA-N 408.376 2.808 0 50 HFAA COc1cccc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)c1 14534472 SHHDFAWDOHDGLR-KRWDZBQOSA-N 414.575 2.607 0 50 HFAA Cc1c(CN2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccn3)C2)cnn1C 14540598 UXCPFHMVQVXISP-QFIPXVFZSA-N 411.550 2.686 0 50 HFAA COc1ccc(CNCCN2CCCC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 23359210 HJYXTPJECDFIGR-QFIPXVFZSA-N 419.610 2.886 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@H]32)c1 247860934 VYZDKHNTTOUGJU-LZQZEXGQSA-N 422.547 2.663 0 50 HFAA O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccccn2)CC1 263619352 YICDYORZKONHID-SFHVURJKSA-N 424.892 2.560 0 50 HFAA Cc1cccc(N(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)S(C)(=O)=O)c1 1506424770 BUTXZPHQAMLXAL-LJQANCHMSA-N 418.563 2.737 0 50 HFAA O=C1C[C@H](C(=O)N2CCCN(C(=O)Cc3ccsc3)CC2)C2(CCCCC2)O1 1772711372 YJRMVODHNABRNI-QGZVFWFLSA-N 404.532 2.618 0 50 HFAA C[C@@H](O)CNC(=O)c1cc2c(s1)CCOC21CCN(Cc2ccccc2)CC1 1857686523 ZZXSFGBGLXXHGU-MRXNPFEDSA-N 400.544 2.923 0 50 HFAA O=C(CNc1cccnc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698799 IOZTUFDJSXENOA-QHCPKHFHSA-N 416.485 2.558 0 50 HFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857718911 ZLPUSNQBXAWNSE-UHFFFAOYSA-N 422.464 2.553 0 50 HFAA COC(=O)c1cc(O)cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)c1 1857734212 NYMWYEMSVPRHOQ-VXKWHMMOSA-N 424.497 2.857 0 50 HFAA C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 1875252056 NWBNHEPZTBLGRI-RTBURBONSA-N 424.549 2.554 0 50 HFAA C[C@H](O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358100 JMCCKNZLXHUSIB-ZLPCBKJTSA-N 408.506 2.569 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc3nnc([C@H]4CCCO4)n3n2)C1 2325728899 BHJFDAQFYBWFJP-JKSUJKDBSA-N 411.441 2.515 0 50 HFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCc2cn(Cc3ccccc3)nn2)CC1=O 2325742975 FSDFPVAFTAVESX-XLIONFOSSA-N 404.470 2.979 0 50 HFAA O=C(CN1CCOC1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356143054 SRNWMSIOKHTZRO-ZFMNYDKASA-N 415.509 2.522 0 50 HFAA COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 982780 MRKKBCIPQWHFML-UHFFFAOYSA-N 400.250 2.802 0 50 HFAA COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c(OC)c1OC 5065656 LZHUWJQNSFRXBQ-INIZCTEOSA-N 414.458 2.874 0 50 HFAA CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2CC)c1N 6753923 VEQSKMNNYWAETN-UHFFFAOYSA-N 408.462 2.712 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cccc(F)c1F)C3 11841085 SSHUXQHTSMTFRA-CQSZACIVSA-N 418.513 2.945 0 50 HFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C2CCSCC2)CC1 12301655 YWZYKQNYNFEFPH-UHFFFAOYSA-N 408.564 2.810 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 12440420 YGEKWVMHVQONPY-QGZVFWFLSA-N 401.532 2.600 0 50 HFAA COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCN2CCNC2=O)cc1 12471543 ISKUFEDAGZHGFR-UHFFFAOYSA-N 409.465 2.802 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cnccn3)c2)s1 12595763 CLZNRVQTDWIULE-QGZVFWFLSA-N 408.487 2.937 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccncc3)CC2)C1=O 14538533 VSDKBGQWMKQLQN-UHFFFAOYSA-N 408.502 2.527 0 50 HFAA Cc1nc(CCNC(=O)c2cn(Cc3ccccc3Cl)nn2)nc2c1CCCC2 14971941 OQMZATXQFUVSEA-UHFFFAOYSA-N 410.909 2.930 0 50 HFAA CC(C)Cn1c(CN(C)Cc2cccnc2)cnc1S(=O)(=O)C[C@H]1CCCO1 15080713 MWNWZVHIPREISJ-LJQANCHMSA-N 406.552 2.519 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CNCCCc3ccccc3)c2)CC1 20540047 NUXLHMCFPCBJMO-DEOSSOPVSA-N 411.590 2.786 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n(C)n1 55228702 VILMTTGYOUTYKM-LJQANCHMSA-N 401.942 2.809 0 50 HFAA O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95510475 LHHQXNBVKVQGKF-UHFFFAOYSA-N 403.486 2.817 0 50 HFAA O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 96471173 BVSFUMVOSNOWCE-CQSZACIVSA-N 403.232 2.600 0 50 HFAA CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)c1 169757960 VAESDFZHUXGKTB-NRFANRHFSA-N 419.437 2.714 0 50 HFAA CCCc1noc(-c2ccn3c(CNC(=O)c4cccc(N(C)C)c4)nnc3c2)n1 169776340 IBMNNXZKEWVTBW-UHFFFAOYSA-N 405.462 2.728 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 886025374 JXMAHBYQVQHOFQ-RTBURBONSA-N 402.454 2.802 0 50 HFAA CC1(C)CN[C@@H](CC(=O)NCC[C@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)C1 1875359084 TZKVIELDBCZHNQ-HOTGVXAUSA-N 419.533 2.873 0 50 HFAA CCN(CCCNC(=O)c1cc2ncccn2n1)C(=O)c1cc2ccncc2s1 2325839804 FUXQCZZSIMAWDH-UHFFFAOYSA-N 408.487 2.621 0 50 HFAA COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc(OC)c1OC 956273 WIEFMFGNYKRPCQ-SFHVURJKSA-N 422.445 2.627 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 1073188 YJSZTVYWSFUPAR-HNNXBMFYSA-N 420.462 2.652 0 50 HFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1227905 NWLKMGKHSIFIID-UHFFFAOYSA-N 411.321 2.969 0 50 HFAA Cc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)Nc2ccc3c(c2)COC3)s1 64002392 WBMVSISIGZRCBX-MJGOQNOKSA-N 410.503 2.528 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 7211797 KKNWTJKVNGCVPN-UHFFFAOYSA-N 422.572 2.615 0 50 HFAA COc1ccc2c(c1)c(C(=O)N1CC[C@@H](NC(N)=O)C1)c(C)n2Cc1ccccc1 477460409 RCELYDWNNNNTQR-QGZVFWFLSA-N 406.486 2.889 0 50 HFAA Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506421394 IZRRUYHWVDEGME-JTQLQIEISA-N 417.413 2.869 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cc(F)cc(F)c1)C3 11910621 LJSZZHBSHIFNHR-MRXNPFEDSA-N 418.513 2.945 0 50 HFAA COC(=O)CCC(=O)N1CCC[C@H](CCC(=O)Nc2cc(OC)cc(OC)c2)C1 12744218 WDFNYKLXBPAUGY-OAHLLOKOSA-N 406.479 2.614 0 50 HFAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1cnn(Cc2ccccc2)c1 14977676 MCOHOPFDYAHWJV-QHCPKHFHSA-N 406.486 2.812 0 50 HFAA O=C(c1cnccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 15079690 PMNQZFITSHMJAO-HSZRJFAPSA-N 420.557 2.977 0 50 HFAA CC(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 169758554 UKGGOOJGVRQEND-IBGZPJMESA-N 414.481 2.671 0 50 HFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)OCC2 1857692355 APGHRYARGJSULK-UHFFFAOYSA-N 401.440 2.879 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)CCc1ccccc1)C2 14882416 BJIFJHHMNJVLKC-UHFFFAOYSA-N 415.559 2.737 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3nccs3)C2)(c2ccccc2)CC1 1875369264 DQCLZOHTDGOWDC-SFHVURJKSA-N 411.527 2.789 0 50 HFAA NC(=O)CSCC(=O)N[C@H](CNC(=O)C1CC2(CCCCC2)C1)c1ccccc1 1875348089 WNZJWQJXRYQOST-GOSISDBHSA-N 417.575 2.539 0 50 HFAA Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 2865815 JDFJKGMRQKYORO-UHFFFAOYSA-N 402.501 2.969 0 50 HFAA CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2ccccc2F)C1 12191484 GNFHGUOIGUWOBU-RBBKRZOGSA-N 405.558 2.901 0 50 HFAA CCOC(=O)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C 12280012 VCYZBBXOOKBTHB-UHFFFAOYSA-N 419.485 2.809 0 50 HFAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CCn2cccn2)CCO3)C1 12280959 XGYHQQQPIFISPP-FQEVSTJZSA-N 412.534 2.553 0 50 HFAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12586410 JJALNJIHWGPKTG-LJQANCHMSA-N 408.546 2.897 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1 14952547 JXVNELFKWBDZOG-UHFFFAOYSA-N 409.530 2.955 0 50 HFAA CN(C)CC(C)(C)CNC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCC2)c1=O 14966294 QZTQRAOFUFEJIH-UHFFFAOYSA-N 416.566 2.563 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1 206251067 LLHKXVPANDVIIV-LJQANCHMSA-N 420.469 2.679 0 50 HFAA COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 253416362 KJXJVMPUZOSEFQ-KRWDZBQOSA-N 407.470 2.755 0 50 HFAA O=C(NCc1cccc(OCC(F)F)c1)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 494896710 WMCFNIFTELJWSO-LUKCQTGZSA-N 404.457 2.639 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)Cc3ccc(F)cc3)C2)cc1 1506395975 KRDMASOVDGSEJY-GOSISDBHSA-N 404.507 2.894 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc3c(cc2C)OCCO3)cc1OC 1529192519 WNVYPJMRMURGEK-DHIUTWEWSA-N 415.486 2.718 0 50 HFAA COc1cc(OC)cc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1857681179 BKPDDNWPJKXTIE-MRXNPFEDSA-N 416.503 2.729 0 50 HFAA Cc1ccccc1N=c1[nH]c(CN2CCN(c3cccc4[nH]ccc34)CC2)nc(=N)[nH]1 1875318874 XTMRZHMWJOSSDQ-UHFFFAOYSA-N 414.517 2.562 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cc1OC 2356144090 JDCDOMHIFAGRRM-HSZRJFAPSA-N 410.518 2.609 0 50 HFAA CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 882256 BRATWIAGEUUOTN-CVEARBPZSA-N 418.490 2.926 0 50 HFAA COc1cc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc(OC)c1OC 1445880 YYKOGQQYQCDYIQ-UHFFFAOYSA-N 403.826 2.658 0 50 HFAA Cc1cc(=O)c(C(=O)NCc2ccncc2)c(C)n1C[C@@H]1COc2ccccc2O1 12152184 PADOKPDXMFBOGC-GOSISDBHSA-N 405.454 2.630 0 50 HFAA O=C(c1cc(COc2cccc3cccnc23)on1)N1CCN(c2ncccn2)CC1 12431700 SCEIUDSCTNUXGS-UHFFFAOYSA-N 416.441 2.554 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 12437577 ZZINVHJLJNELHJ-UHFFFAOYSA-N 414.477 2.814 0 50 HFAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(C)c1C 14882609 OSCBTMHRLVXGKS-UHFFFAOYSA-N 423.517 2.527 0 50 HFAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3n2)cc1 19212159 VPLICYDOWPLIOQ-UHFFFAOYSA-N 415.444 2.704 0 50 HFAA COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)c2ccccc2F)n1 20259394 IYHROKDGPRMXDL-UHFFFAOYSA-N 418.812 2.698 0 50 HFAA O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2cccc[n+]2[O-])c1 110019703 ZHTCUHPPDMZANX-UHFFFAOYSA-N 413.231 2.982 0 50 HFAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1ccccc1)c1nccn1C 218498451 RSCFZXWHPJDZQA-FPOVZHCZSA-N 420.513 2.897 0 50 HFAA CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCCc3ccccc32)C1=O 239475458 AOMCVDDLOIGOSI-GBXCKJPGSA-N 420.513 2.884 0 50 HFAA CC(C)c1cccc(OCC(=O)N2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)c1 328606253 QVMIMNRKSWSABK-LJQANCHMSA-N 410.518 2.819 0 50 HFAA Cc1cnc(C)c(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)CC2)n1 825242999 AJKNGVOLRKHWLN-UHFFFAOYSA-N 404.518 2.917 0 50 HFAA CCc1noc(C)c1C(=O)NC[C@H]1CCCN(C(=O)CSc2ccccn2)C1 952969348 CBSVTZWWRUOWND-OAHLLOKOSA-N 402.520 2.701 0 50 HFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cnc3ccccn3c2=O)cc1 952988060 MXQXYLZTMXDECP-LJQANCHMSA-N 407.470 2.567 0 50 HFAA COCCc1noc([C@H](C)NS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)n1 1506397517 VWIIQIUMBJGFOI-JTQLQIEISA-N 412.493 2.631 0 50 HFAA O=C(O)[C@H]1COC[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1 1857783488 STAXZMVOKJMDQJ-OFNKIYASSA-N 409.438 2.880 0 50 HFAA Cn1nnc([C@H]2CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)n1 2100540114 DQLKULLPTSQGGV-HXUWFJFHSA-N 400.442 2.639 0 50 HFAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(C)cccc3F)C2)CCC1=O 2325864188 IMKRUWGEBWWHNH-IAGOWNOFSA-N 403.498 2.504 0 50 HFAA CN(C)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 2694840 LAGJLPOYSGZNOM-UHFFFAOYSA-N 404.517 2.865 0 50 HFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1N1CCOCC1 4708056 RYLIYEVGPUDZBP-UHFFFAOYSA-N 401.850 2.541 0 50 HFAA COCCn1c(CN(C)[C@H](C)c2nccs2)cnc1S(=O)(=O)CC(C)(C)C 11936074 OOBACWUKYCOSMU-CQSZACIVSA-N 414.597 2.999 0 50 HFAA CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 11953027 AAVFJEWXUPQYQA-OAQYLSRUSA-N 418.534 2.734 0 50 HFAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O 14542885 LMOLKARZUDRLQP-QGZVFWFLSA-N 405.495 2.808 0 50 HFAA CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1cc(C)on1)CC2 14752343 UOHLDBROCYIIIP-UHFFFAOYSA-N 424.457 2.612 0 50 HFAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)c(OC)c1OC 14957709 RWXITTFHQDQHJH-MRXNPFEDSA-N 404.507 2.967 0 50 HFAA Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19367374 WPIGOXZBBAFBDJ-IBGZPJMESA-N 418.921 2.935 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 21795864 TZTUSLCHQSNQOC-UHFFFAOYSA-N 424.505 2.511 0 50 HFAA Cc1oncc1C(=O)Nc1nn(CC(F)(F)F)c2cccc(N3CCOCC3)c12 77460031 KUKXCWANVROLQT-UHFFFAOYSA-N 409.368 2.984 0 50 HFAA Cc1nc(CC(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cs1 77503982 RAFOIUDLYJNTTH-UHFFFAOYSA-N 415.515 2.886 0 50 HFAA Cc1cc(C)nc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 100879600 HFVXNRINUXJUCC-OTWHNJEPSA-N 406.486 2.818 0 50 HFAA COc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)cc1 169764160 IFHZYZXTODWFNP-UHFFFAOYSA-N 412.465 2.820 0 50 HFAA COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 229722352 XEHVGTSCNJTDLS-UYAOXDASSA-N 412.486 2.564 0 50 HFAA Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)cc1 470536735 FLUADHURFNJOII-MAUKXSAKSA-N 408.458 2.951 0 50 HFAA CCOc1cc2c(cc1CNS(=O)(=O)c1c(OC)cccc1OC)O[C@@H](C)C2 475561838 AUVMWKXGYDFVEJ-ZDUSSCGKSA-N 407.488 2.904 0 50 HFAA COc1ccc([C@@H](CC(=O)NCCc2cnc[nH]2)c2cc3c(cc2O)OCO3)cc1 824654019 ARZUMWBGNCTPFN-QGZVFWFLSA-N 409.442 2.734 0 50 HFAA biogenic O=S(=O)(c1ccc2nc[nH]c2c1)N(CCOc1ccccc1)C[C@@H]1CCCO1 952872012 GYGNNCHCLKWSFP-KRWDZBQOSA-N 401.488 2.812 0 50 HFAA COc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)Cc2ncccc2C)CC1 1529120811 LVMHTYAZQQWJPA-UHFFFAOYSA-N 401.894 2.969 0 50 HFAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3cc(Cl)ccc3OCC(=O)O)C1)CC2 1704309025 VZJJTAPTSTZEAU-FQEVSTJZSA-N 402.882 2.656 0 50 HFAA COc1ccc(Cc2nc(-c3nc4ccccn4c3C)n(CCCO)n2)cc1OC 1857679446 MCSUZPLYUPRGGF-UHFFFAOYSA-N 407.474 2.892 0 50 HFAA COc1ccc2c(C)c(C(=O)N[C@H]3C[C@H]4CO[C@H](C(C)C)CN4C3)oc2c1OC 1857717329 KTEXMFXSZFOLKW-MPGHIAIKSA-N 402.491 2.986 0 50 HFAA CCn1ncn(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1=O 2325879152 KJVVOIGTWZEPFE-ZHACJKMWSA-N 406.471 2.762 0 50 HFAA CC(=O)N1CCN(C(=O)c2ccc(-c3cnc4cc(F)ccc4c3)cc2)C[C@@H](O)C1 2356138161 GOSMMLSYRMWCIG-NRFANRHFSA-N 407.445 2.706 0 50 HFAA N=c1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)cc[nH]1 2356141892 UXNKWLLTZAEPGW-ANULTFPQSA-N 404.514 2.578 0 50 HFAA COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)s2)cc1 789846 DXGDMHTXUJGCGK-UHFFFAOYSA-N 418.500 2.897 0 50 HFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OC)c2OC)n2ncnc2N1 1068124 IQMHQLDTZQIQQI-MRXNPFEDSA-N 402.451 2.936 0 50 HFAA CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(Cl)cc2)cc1 2435812 RSQKKNPJKLBGPF-SFHVURJKSA-N 415.877 2.708 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCc3ccccc32)CC1 12026879 XTRDRELXJUQGJI-HXUWFJFHSA-N 414.527 2.907 0 50 HFAA CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)cs1 12315136 IUSVKPCGOSXSEX-MRXNPFEDSA-N 401.532 2.812 0 50 HFAA Cc1nonc1CC(=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12591706 ZDHSGYYZHYYRIT-OAHLLOKOSA-N 416.909 2.661 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)c1 15071644 QHNKYEACLXQYLU-CYBMUJFWSA-N 402.476 2.632 0 50 HFAA Cc1nn2c(ncc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccccc1 40396360 VNNSOSXTNLJJCY-UHFFFAOYSA-N 403.486 2.742 0 50 HFAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCC[C@@H](C)N3CCCC3)CC2)cc1 72446915 HLFHQDSMKCNKFD-LJQANCHMSA-N 421.607 2.527 0 50 HFAA CCCCN1CCN([C@@H](C(=O)N2Cc3ccccc3C2)c2ccccc2)C(=O)C1=O 77440325 PTDTWWFKFPLHRJ-OAQYLSRUSA-N 405.498 2.741 0 50 HFAA O=C(NCc1cccc(OCC(F)F)c1)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 494896709 WMCFNIFTELJWSO-LHKXOAKPSA-N 404.457 2.639 0 50 HFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 769524063 XMJRCEBJSGSXGM-CPUCHLNUSA-N 415.506 2.524 0 50 HFAA COc1cc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc(OC)c1 1529152841 ZICFPMFKMCPNHW-FGZHOGPDSA-N 403.475 2.655 0 50 HFAA CCc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)NCc3cccs3)C[C@]2(CO)C1 1772816742 UAHIOUSXVXMYIB-VGSWGCGISA-N 413.543 2.587 0 50 HFAA CC(C)c1cc(C(=O)N2CCCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)on1 1800412316 XYKNEBBBLHOYBO-UHFFFAOYSA-N 400.435 2.907 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cn4cccnc4n3)C1)CC2 1857672337 SDZIAHWHKOUUGV-JOCHJYFZSA-N 406.490 2.643 0 50 HFAA COc1cc(-c2nc(CNC(=O)CCc3c(C)nc(O)nc3C)c(C)o2)ccc1O 1857682969 SNBZEAFRSQPJDF-UHFFFAOYSA-N 412.446 2.726 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCc4cscn4)CC3=O)sc2c1 1857696682 LHYXVOACNKXCKF-GFCCVEGCSA-N 416.528 2.863 0 50 HFAA CCCC(C)(C)C(=O)NC[C@H]1[C@H]2CN(C(=O)c3c(C)n[nH]c3C)C[C@]23CC[C@H]1O3 1857719742 UJFLSDOZYUCCBT-QNFHRHJVSA-N 402.539 2.589 0 50 HFAA CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726733 DXAUPDOMIOLHNA-HOTGVXAUSA-N 414.525 2.688 0 50 HFAA N[C@@H](Cc1ccnc(O)c1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 2325878668 XZTKFFKJXZRKHG-IBGZPJMESA-N 405.458 2.617 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(F)cc(F)c2)C1 2325889436 QMIBRKSVADSNAZ-KBXCAEBGSA-N 405.445 2.709 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4nccn4C)C3)c3cccc(=O)n32)c1 2356160980 ALVCRTOXYFEUFO-LQWHRVPQSA-N 418.497 2.634 0 50 HFAA COc1cc(-c2nc(C)cnc2C)cc2c1OCCN(C(=O)Cn1nccc1C)C2 11981369 PMHGFCDGIQXKCG-UHFFFAOYSA-N 407.474 2.695 0 50 HFAA CN(C(=O)c1ccc(Cn2cnnn2)cc1)[C@@H]1CCCN(CCCc2ccccc2)C1 12714897 SHQRWZZRAYNFIH-HSZRJFAPSA-N 418.545 2.891 0 50 HFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccccn1)CC2 14535181 AOYDSHAUVWJXKG-UHFFFAOYSA-N 422.529 2.917 0 50 HFAA COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 15078794 JHULIXKVZASNTI-HNNXBMFYSA-N 404.536 2.940 0 50 HFAA O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2cccc(Cl)c2)CC1 22298848 PQHNHESRVGOBCN-PMACEKPBSA-N 418.921 2.680 0 50 HFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 116031750 SJMXTAMGEGPJRF-GFCCVEGCSA-N 423.494 2.905 0 50 HFAA Cn1cc(N2CCC[C@@H](N3CCN(C(=O)CC/C=C/c4ccccc4)CC3)C2=O)cn1 170593268 NSTBXXXSNZXQGS-YHEXHBFFSA-N 421.545 2.553 0 50 HFAA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 170626432 XGERYQWTFVJIQJ-RKDXNWHRSA-N 405.289 2.963 0 50 HFAA CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)CN1CCC[C@@H](CCC(N)=O)C1 225513984 GZLMZPRBQWCIEA-HKUYNNGSSA-N 404.555 2.743 0 50 HFAA Cc1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 299763852 FPPKRPBKAXRWFZ-OAQYLSRUSA-N 402.466 2.998 0 50 HFAA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)c(=O)c1 328608360 YSQVYKDYMZYMBH-INIZCTEOSA-N 414.554 2.596 0 50 HFAA COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC(=O)N2C)cc1 334160435 DTRVTOSHDNJFMC-JXFKEZNVSA-N 414.458 2.879 0 50 HFAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C 481110406 NRVFLAUSOZIHTJ-KDOFPFPSSA-N 413.305 2.870 0 50 HFAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@]2(CCCc3ccccc32)C1 753311563 FIENICUUSYUYIY-UNMCSNQZSA-N 411.527 2.613 0 50 HFAA Cn1cncc1CN1C[C@H]2CN(CCSc3ccccc3)C[C@]2(CCC(=O)O)C1 1772819505 MOQHOKXQASPOQG-XMSQKQJNSA-N 414.575 2.811 0 50 HFAA Cc1cc(C)c2c(CC(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)coc2c1 1857689212 JAFFTCRGPSKFHH-REWPJTCUSA-N 410.518 2.856 0 50 HFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NC(C)C)cc(c1)-n1ccnc1-2 1875242689 XEOOMQXVAQFDDP-UHFFFAOYSA-N 420.469 2.695 0 50 HFAA Cc1cc(NC(=O)N2CC[C@H](c3ncnc4ccccc34)C2)cc(S(N)(=O)=O)c1 1875316981 KMWVLHWLPVKPJC-AWEZNQCLSA-N 411.487 2.607 0 50 HFAA CC(C)(Oc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)NC[C@@]1(C)CC1(Cl)Cl 2325849796 AQXBSURJCVPBMW-MRXNPFEDSA-N 400.262 2.887 0 50 HFAA O=C(COc1ncnc2ccccc12)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 11662926 FVFILDJYGBVAJG-IBGZPJMESA-N 402.498 2.757 0 50 HFAA CC(C)Cn1c(CN2CCC[C@H](CO)C2)cnc1S(=O)(=O)Cc1ccccc1 11935840 OBPKDRGQYOYOOK-IBGZPJMESA-N 405.564 2.717 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@H](CNC(=O)c3n[nH]c4ccccc34)C2)CC1 12300907 PLHAHICDENHDBM-MRXNPFEDSA-N 413.522 2.626 0 50 HFAA CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 13583115 OZFHKEGZJPJPAB-UHFFFAOYSA-N 401.488 2.990 0 50 HFAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1F 14733662 RYNISEXXMWORCJ-MRXNPFEDSA-N 402.539 2.704 0 50 HFAA Cc1cccc(-n2ccnc2CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1 19301029 SHWMVJUSYDHDHH-QHCPKHFHSA-N 405.546 2.953 0 50 HFAA O=C1Nc2ccccc2CC[C@H]1SCCC(=O)N1CCN(c2ccccn2)CC1 20721668 ZLTIZSOAQCAARN-LJQANCHMSA-N 410.543 2.807 0 50 HFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nn2)nc1 72139193 YDIUMIBNVXLERJ-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)C1CCC1 170596848 AEELMSORWMOKLP-UHFFFAOYSA-N 405.476 2.782 0 50 HFAA O=C(NC[C@@H]1COCCO1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 241719787 QPPSNWWKGAVCLZ-PIKADFDJSA-N 406.910 2.645 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 263616863 KYJAUJOTUOWLPT-UHFFFAOYSA-N 405.502 2.969 0 50 HFAA O=C(c1nnn2cc(-c3ccccc3)nc(O)c12)N1CCN(c2ccc(F)cc2)CC1 263619356 YIPDAOCTJHCIAE-UHFFFAOYSA-N 418.432 2.598 0 50 HFAA COCC[C@@H]1COCCN1C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 328594224 ZQCJBHZTQABWSU-HUUCEWRRSA-N 401.429 2.581 0 50 HFAA Cn1ccnc1[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 409413865 FPNLXMIVSFGFBY-UYAOXDASSA-N 417.469 2.531 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)c1OC 439136114 RGOJXIYBNIDPJC-NBGIEHNGSA-N 420.509 2.892 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCCN(C(=O)c2cccc3nccnc23)CC1 1772709209 ISXFLCCGKWCREG-KRWDZBQOSA-N 404.470 2.772 0 50 HFAA O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695716 VLKDHNHJGZBHKY-GFCCVEGCSA-N 400.870 2.552 0 50 HFAA c1cc(OCCCN2CCOCC2)ccc1CN1CCC(C2CCNCC2)CC1 1857714219 NIHLGIWLKGSDIZ-UHFFFAOYSA-N 401.595 2.999 0 50 HFAA O=C([C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857733265 BZRUJZSZGZMVAY-KOVXWOGCSA-N 400.910 2.906 0 50 HFAA CN(Cc1nc2c(s1)CCCC2)C[C@]1(O)CCCN(c2ncnc3[nH]ccc23)C1 1857739609 XJPTUBKIZIZYOI-OAQYLSRUSA-N 412.563 2.757 0 50 HFAA O=C(c1cccc(N2CCNC2=O)c1)N1CCCN(c2nc3ccccc3o2)CC1 2356149957 ZUQGJYOPHYGQOX-UHFFFAOYSA-N 405.458 2.710 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)CC1 2805004 RLYFVDRYAAPCJD-UHFFFAOYSA-N 412.515 2.695 0 50 HFAA CC(=O)Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4983164 GNOSNYYMNAXEFW-UHFFFAOYSA-N 401.488 2.684 0 50 HFAA COc1ccc(OC)c(N2C(=O)C[C@@H]([C@@H]3CCCC=C3N3CCOCC3)C2=O)c1 5015814 MEEMMDQFRGTIMD-IRXDYDNUSA-N 400.475 2.600 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCCCC1 6715817 PRSDFVWZNLODEO-UHFFFAOYSA-N 403.504 2.585 0 50 HFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)c1 9090481 ZVFKOTDNFKCGQE-BXWFABGCSA-N 424.375 2.808 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)c(OC)n1 11769571 CMLYBDHEYQBBMZ-JOCHJYFZSA-N 400.475 2.783 0 50 HFAA CC(=O)NCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 11815434 PQLDFIKOPKFZAH-UHFFFAOYSA-N 413.484 2.945 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 12756087 FISVYJLNBYLLLB-CQSZACIVSA-N 423.897 2.758 0 50 HFAA O=C(NC1CC1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc3ccccc3c2)C1 14743951 PLFXVWHQVHSICW-NFBKMPQASA-N 407.558 2.889 0 50 HFAA CCN1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)CC1 20101849 CTMWSVLNVTXNKE-MRXNPFEDSA-N 410.518 2.857 0 50 HFAA CCN1CCN(C[C@@H](O)COc2ccc(CNC3CCCCCC3)cc2OC)CC1 20513465 KZQOSMZXNOIAGR-JOCHJYFZSA-N 419.610 2.885 0 50 HFAA Cc1nccnc1N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82096176 MREDYNSHDMYAHB-OAQYLSRUSA-N 407.562 2.825 0 50 HFAA O=C1C[C@@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1CCc1ccccn1 104446154 OGWJMUACOGBEPS-CTIGNXTNSA-N 417.509 2.722 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)COc4ccc(F)cc4)CC3)n[nH]c2=O)cc1 169780413 QPZOVBYTLTYHAW-UHFFFAOYSA-N 410.449 2.793 0 50 HFAA COc1ccc(-c2noc(CN3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC 170591264 ROWKYNUBEUMJSZ-DLBZAZTESA-N 413.478 2.575 0 50 HFAA C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239135343 LCMRPRQXCZZNOH-HENZOVJNSA-N 415.287 2.829 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)C1 239175845 QSYCNTMPHIJYFN-JLSDUUJJSA-N 406.504 2.713 0 50 HFAA O=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 466051861 DPMRRXHNBMLZEQ-INIZCTEOSA-N 411.853 2.633 0 50 HFAA COc1ccc(C2(CNC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)CCOCC2)cc1 468997633 PUFDUJKJJXNMCH-OAQYLSRUSA-N 408.498 2.729 0 50 HFAA Cc1nnc(SCC(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 1506411786 UPTKZPCIQAUFQH-QGZVFWFLSA-N 420.510 2.895 0 50 HFAA COc1ccc([C@H](CC(=O)NCc2ccco2)c2c(O)n3ccccc3nc2=O)cc1 1776111710 MEHQZDULINKXEM-SFHVURJKSA-N 419.437 2.840 0 50 HFAA CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3cccc(F)c3)C2)nc(=N)[nH]1 1857670826 DMJNQEUOTCQHIU-PBHICJAKSA-N 413.497 2.870 0 50 HFAA Cc1cc(F)cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1 1857688972 AARDWINRVKFGCW-SFTDATJTSA-N 400.498 2.936 0 50 HFAA CC[C@]1(C(=O)N2CCC(c3nc[nH]n3)CC2)C[C@H]2CC[C@@H]1N2C(=O)c1occc1C 1857696246 SXOWLCKVKMJFPM-JLHGSKIFSA-N 411.506 2.886 0 50 HFAA COCCOc1ccc(S(=O)(=O)NC(=O)c2cn(C)c3c(Cl)cccc23)cc1 1875343949 ZFZRITJAGHPIRG-UHFFFAOYSA-N 422.890 2.976 0 50 HFAA CNC(=O)COc1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1OC 1875356446 KSTJHFBUWOCFIY-UHFFFAOYSA-N 422.441 2.538 0 50 HFAA O=C(NCCN1C(=O)COc2ccccc21)c1cc(-c2c[nH]c3ccccc23)[nH]n1 2325854059 MJTWCFVBGYJEQZ-UHFFFAOYSA-N 401.426 2.713 0 50 HFAA O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 858091 MMKIKYYBMRHEPS-WBVHZDCISA-N 403.818 2.700 0 50 HFAA C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 1151084 GIGRAYMOSFNYRP-LLVKDONJSA-N 416.227 2.860 0 50 HFAA O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 6709706 IIBLUIYYWXDKEM-UHFFFAOYSA-N 402.292 2.528 0 50 HFAA COc1ccc(-c2cn3c(C(=O)N4CCN(C(C)=O)CC4)csc3n2)cc1F 11817154 HTJIOVGQGONGHQ-UHFFFAOYSA-N 402.451 2.515 0 50 HFAA CC1(C)CC(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC(C)(C)N1 12391528 QTMIPMUYBGMRIO-UHFFFAOYSA-N 411.550 2.661 0 50 HFAA biogenic COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc(OC)c1 12429900 STVXDSOOZDLURX-MRXNPFEDSA-N 400.479 2.558 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 23129087 OXWOKIBBEVFBLT-MRXNPFEDSA-N 416.485 2.969 0 50 HFAA O=C(NC1CCNCC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67847473 BLSLLYGHIGLZHH-UHFFFAOYSA-N 405.546 2.717 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cccc(Cl)c3)nn2)nc1 72140562 LLWDNDFANWCITQ-UHFFFAOYSA-N 418.910 2.967 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1 104319771 DTLBIAJGKWMVLH-GOSISDBHSA-N 404.507 2.683 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1 225566752 OAAZPEJPUFQNAN-QUCCMNQESA-N 418.538 2.745 0 50 HFAA NC(=O)[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc2O1 229708598 VSBNUJYFHWVVBK-GHTZIAJQSA-N 407.495 2.707 0 50 HFAA COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC(=O)N2C)cc1 334160436 DTRVTOSHDNJFMC-OXJNMPFZSA-N 414.458 2.879 0 50 HFAA CC1(C)C(=O)Nc2ccc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc21 494943320 VQNKODNEDQTOQS-UHFFFAOYSA-N 403.364 2.908 0 50 HFAA CC(=O)c1ccc2c(c1)CCN(CN1C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)C1=O)CC2 799139748 VXGXFFFTOCDFIS-QBSOXGLUSA-N 421.541 2.994 0 50 HFAA CSc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)Cc2c(C)noc2C)C1 952962667 GRMILBCAHSDIDF-HNNXBMFYSA-N 402.520 2.619 0 50 HFAA O=C(CCCCc1cccnc1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857708736 LJGCWCLPNFTSKX-VXKWHMMOSA-N 407.514 2.823 0 50 HFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cnn(C)c4C)[C@H]4CC[C@]3(C2)O4)cc1F 1857736107 KZKDKFXBCRLDHM-KLJZETAQSA-N 412.509 2.585 0 50 HFAA CN(C)CCCCC(=O)N[C@H]1CCc2cc(CNc3ccnc4ncnn34)ccc21 1875328003 UHGNMUZGFRCARO-IBGZPJMESA-N 407.522 2.572 0 50 HFAA CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)O)nn1C)c1ccc(C(F)(F)F)cc1 2325877302 OEIQHYUEEFXWCZ-AWEZNQCLSA-N 405.398 2.813 0 50 HFAA C[C@@H](Nc1nc(N2CCN(S(C)(=O)=O)CC2)nc2ccccc12)c1ccccc1 810713 JFXSYJJCDCLNHT-MRXNPFEDSA-N 411.531 2.885 0 50 HFAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 1010593 AORYCGGIRVRJDK-MRXNPFEDSA-N 408.410 2.501 0 50 HFAA Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3I)n2)cc1 1128246 XXNKNIQVEAZXKO-UHFFFAOYSA-N 419.226 2.892 0 50 HFAA Cc1cc(C)n(C(=O)c2cc3nc(-c4cn(C)nc4C)cc(C(F)(F)F)n3n2)n1 2781652 XUHKPBXMBICTCU-UHFFFAOYSA-N 403.368 2.959 0 50 HFAA COc1cccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)c1 6703884 HQDHEJMGEVYVTM-UHFFFAOYSA-N 423.542 2.932 0 50 HFAA CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)n[nH]1 12302843 PTBQHJJRRRGYBQ-INIZCTEOSA-N 400.527 2.617 0 50 HFAA COCCN1CCC(CN(Cc2ccc(C(=O)OC)cc2)C[C@H]2CCCO2)CC1 15064366 RJAAHCSCYHASIF-JOCHJYFZSA-N 404.551 2.813 0 50 HFAA O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCCN(c2ccccn2)C1 19146574 YCJBFFYUDXTPBD-RTBURBONSA-N 415.497 2.875 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCN(Cc4csc(C)n4)CC3)n2)cc1 20166605 DDHJGSQJSDBXBG-UHFFFAOYSA-N 413.503 2.606 0 50 HFAA COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@H]12 36372274 TVYBDQDXSLBDGV-LJQRRIJCSA-N 416.514 2.678 0 50 HFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 36385830 RQJLKORDBQSUTN-HXUWFJFHSA-N 403.473 2.992 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)c(F)c1 39478889 FVAIWVYTTNVKAJ-OAQYLSRUSA-N 415.509 2.862 0 50 HFAA Cc1c(-c2ccnc(N3CCN(C)CC3)n2)cnc2nc(-c3ccc(Cl)cc3)nn12 54202012 JRUWCUNAPRNFHF-UHFFFAOYSA-N 420.908 2.962 0 50 HFAA C[C@H](c1ccncn1)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55371598 XXTKQCHBLSSRNX-QGZVFWFLSA-N 413.547 2.902 0 50 HFAA O[C@H](COc1ccccc1C(F)(F)F)Cn1ccnc1I 170613399 AIIKBOOADANJGN-VIFPVBQESA-N 412.149 2.946 0 50 HFAA COc1ccc([C@H]2CC(c3cccc(OC)c3OC)=NN2S(C)(=O)=O)c(OC)c1 170614234 CHCUOMHWVIORQI-QGZVFWFLSA-N 420.487 2.832 0 50 HFAA O=S(=O)(c1ccc(N2CCn3c(Br)cnc3C2)cc1)C(F)(F)F 170616185 GQVMNSMCJRNMSJ-UHFFFAOYSA-N 410.215 2.959 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)nc(O)c34)CC2)c1 263617237 MVLUYKWEBLGIJJ-UHFFFAOYSA-N 414.469 2.768 0 50 HFAA CN1C(=O)COc2ccc(NC(=O)Nc3ccc(Cc4nnc5n4CCC5)cc3)cc21 484524181 IXUWGGPRGVERSX-UHFFFAOYSA-N 418.457 2.814 0 50 HFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CNC(=O)c2cncnc2)CC1 825586515 BFOLRFAJEXWOGT-CQSZACIVSA-N 402.882 2.566 0 50 HFAA O=C(CCOCC1CC1)N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952894586 RZGZAFMLTZIVCP-SFHVURJKSA-N 410.396 2.981 0 50 HFAA CC(C)N1CCCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CC1 952990263 HNNBDSDJWJVRRP-UHFFFAOYSA-N 406.430 2.793 0 50 HFAA Cc1nc(CN2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)c2ccccn12 1615636964 YFESDIUOOUWMRV-ZEQRLZLVSA-N 423.536 2.539 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704344458 QMUJBKXOANEQIP-DEOSSOPVSA-N 416.529 2.910 0 50 HFAA Cc1cc(C)n2nc(CC(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)nc2n1 2325717501 LZTDFPOKRJANNM-KBRIMQKVSA-N 402.495 2.831 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 1110791 LLTSIGWQDZNTKO-LBPRGKRZSA-N 410.879 2.920 0 50 HFAA COc1ccc(Cn2c(=S)[nH]c3cc(C(=O)N4CCOCC4)ccc3c2=O)cc1 1133433 QJIYTPMCZLSUTF-UHFFFAOYSA-N 411.483 2.588 0 50 HFAA COc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 4788716 RNQNMUBKVRPTCD-OAHLLOKOSA-N 418.515 2.740 0 50 HFAA COc1cccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc12 5047937 IUFFVMLBKHQAST-UHFFFAOYSA-N 405.410 2.852 0 50 HFAA CC(C)(C)OC(=O)N1CCC(N[C@@H](CC(=O)OCc2ccccc2)C(=O)O)CC1 6882633 ZTJBISISEKLNRJ-KRWDZBQOSA-N 406.479 2.562 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)cc(OC)c3)C2)nn1 12040877 UOJQDHKVMUXNFE-KRWDZBQOSA-N 401.511 2.614 0 50 HFAA Cc1nc(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(S(C)(=O)=O)ccc12 12098960 YDMFSUQEYSKKOB-UHFFFAOYSA-N 416.547 2.617 0 50 HFAA COc1ccc(-c2cnnc(N3CCC([C@@H](O)c4ccccn4)CC3)n2)c(OC)c1 12308601 CJVOZOVZHUMMMX-OAQYLSRUSA-N 407.474 2.901 0 50 HFAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 12385574 LWCLZEQGZDGNON-JOCHJYFZSA-N 406.530 2.882 0 50 HFAA O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(CC2CC2)CC1 12429380 QDBZLEJTSMGXKA-UHFFFAOYSA-N 411.546 2.634 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](COC)C3)cc2)CC1 15076778 VWGBSWAVQGFRBE-SFHVURJKSA-N 418.534 2.592 0 50 HFAA CCN1CCC[C@@H]1CN(Cc1cnc(SC)nc1)CC1CCN(CCOC)CC1 20537729 XLXKTFDKMIALIV-OAQYLSRUSA-N 421.655 2.843 0 50 HFAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1cc[nH]n1 72469119 MXSDUSBRWMFCFV-UHFFFAOYSA-N 402.458 2.897 0 50 HFAA COc1ccc(-c2cn3cc(C(=O)N4CCCC4)nc3c(=O)n2CC2CC2)c(F)c1 72475875 YYFOPOHGNGCISV-UHFFFAOYSA-N 410.449 2.957 0 50 HFAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NO[C@H]3CCCCO3)CC2)c1C 170607521 YRKZUTUGMRPTMT-IBGZPJMESA-N 424.563 2.895 0 50 HFAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 239439171 ZNJMMAHBSBVGRR-ROUUACIJSA-N 405.564 2.922 0 50 HFAA Cc1c(C(=O)N(C)Cc2cccc(Cl)c2Cl)cnc2c1c(=O)n(C)c(=O)n2C 439030916 XBDDQCFWHOJBAD-UHFFFAOYSA-N 421.284 2.520 0 50 HFAA CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)C[C@@H]3CSCCS3)CC2)C1 1439784945 AZTONNHYPRVESP-MRXNPFEDSA-N 416.609 2.852 0 50 HFAA O=S(=O)(Nc1cc(Br)ccc1CO)c1cnn(Cc2ccccc2)c1 1875323135 YNVUYNHFXJKOPY-UHFFFAOYSA-N 422.304 2.987 0 50 HFAA COc1ccccc1CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 2356166114 OWSDXFRIHDWQRQ-UXHICEINSA-N 402.878 2.654 0 50 HFAA Cc1ccc(S(=O)(=O)NCC(C)(C)CNS(=O)(=O)c2ccc(C)cc2)cc1 2096230 USXCUUZZCXHFGN-UHFFFAOYSA-N 410.561 2.586 0 50 HFAA O=Cc1ccc(OCCO[C@@H]2OCCO[C@H]2OCCOc2ccc(C=O)cc2)cc1 4530359 SLKXDSUCYZPQDP-FGZHOGPDSA-N 416.426 2.502 0 50 HFAA O=C1CCCCN1CC(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12208314 CTWOZNQZQLJCIS-NRFANRHFSA-N 405.583 2.661 0 50 HFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 12471491 FRMANVAKSKGRGR-QFIPXVFZSA-N 404.518 2.501 0 50 HFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCc1n[nH]c(=O)c2ccccc12 55569026 LUWDQRVSKIXUIW-UHFFFAOYSA-N 418.501 2.733 0 50 HFAA Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1 225433231 ZSGUDZNQDSPWJW-IFMALSPDSA-N 407.514 2.506 0 50 HFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 253429570 TTXMPCOYUDPFLC-DLBZAZTESA-N 411.506 2.905 0 50 HFAA COC(=O)c1cn(C[C@@H](c2ccc(Cl)cc2)N2CCCC2)cc2c(=O)[nH]nc1-2 263587845 LXLBXTDHXSYSRR-KRWDZBQOSA-N 400.866 2.953 0 50 HFAA COC(=O)c1cccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)c1 263616551 JKDPXOMNKAZFRZ-UHFFFAOYSA-N 407.401 2.629 0 50 HFAA COc1ccc(C2=C/C(=C(/O)N=c3cc(C)[nH]n3[C@H]3CCS(=O)(=O)C3)N=N2)cc1 334159304 XIWRGKJGIKIDHI-KWULPRMISA-N 415.475 2.628 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 670445009 ORCBCVCOHYFHNF-MRXNPFEDSA-N 408.495 2.786 0 50 HFAA CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[C@@H](O)c1ccccc1 749711122 MMGPMAXLYLNNGH-RDJZCZTQSA-N 403.410 2.571 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@H]1CCCN(Cc2cccs2)C1 825125157 LACYIOYERYEHNY-AWEZNQCLSA-N 406.533 2.844 0 50 HFAA O=C(Cc1cccnc1)NCC1CCN(C(=O)c2cnoc2-c2ccccc2)CC1 1506408285 DDGLCOVHQHJUQL-UHFFFAOYSA-N 404.470 2.948 0 50 HFAA CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CCSCc3ccccc3)C[C@]2(CO)C1 1772702120 PODSAPLNRWOMLL-PGRDOPGGSA-N 404.576 2.635 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3nc(C)no3)C[C@@]2(CCc2ccccc2)C1 1772712251 LZATXXABRQAAHL-NQIIRXRSSA-N 400.548 2.634 0 50 HFAA CCO[C@@H]1C[C@H](NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2 1875330530 SDRWBSOLNQHGGT-UONOGXRCSA-N 401.429 2.942 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(O)nc4ccccc34)C1)CC2 2356143987 FNXDWASBFKKICL-HSZRJFAPSA-N 403.486 2.917 0 50 HFAA Nc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)n1 2356156868 UOCJBWLJUKKWCZ-SEONNTABSA-N 422.504 2.887 0 50 HFAA O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)NCc1ccccc1 4969415 OXWKYGYNWFZXPQ-UHFFFAOYSA-N 400.435 2.547 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4nccn4C)C3)nc(C)c2c1 12150877 VBGLEODQSFAOHH-KRWDZBQOSA-N 422.533 2.945 0 50 HFAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1NS(C)(=O)=O 13680131 VITTWBZAGMQJOI-UHFFFAOYSA-N 401.488 2.855 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@@H]2CC24CCCC4)CCO3)CC1 14889079 XIPQCAAXYZQUDG-NRFANRHFSA-N 411.546 2.652 0 50 HFAA COCCN1CCN(C(=O)c2sc3ncnc(NC4CCCC4)c3c2C)CC1 14982709 VZAWZZWSYSNGBS-UHFFFAOYSA-N 403.552 2.758 0 50 HFAA COC(=O)C1CCN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)CC1 55133871 GMGDOWFVQLRBLM-UHFFFAOYSA-N 420.513 2.992 0 50 HFAA COC[C@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)CCNC(=O)c1ccccc1F 55244665 WLQRSQLCRPVPDA-HNNXBMFYSA-N 416.449 2.738 0 50 HFAA COCCCCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 95510164 HDSDWHIEMPBREL-QFIPXVFZSA-N 402.539 2.723 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 229803269 KWIBAVICXNVZAL-TXPKVOOTSA-N 420.554 2.862 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1 241338650 MCRXYUFUOBRTPJ-FLXRQSBHSA-N 409.552 2.633 0 50 HFAA Cc1ccc(C[C@@]2(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)CCC(=O)N2)cc1 299802083 ZZSGBZLUKUVVLM-DEOSSOPVSA-N 411.546 2.580 0 50 HFAA Cc1cc2c(N3CCC[C@@H]3C(=O)NC[C@@]3(O)CCc4ccccc43)ncnc2s1 752549255 VXEYOADJENUSCP-GCJKJVERSA-N 408.527 2.919 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cncc(OCCCO)n1)CC2 952887533 RFUJBBHUIFDNLB-GOSISDBHSA-N 416.547 2.707 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCCc1cnn[nH]1 952887960 HLWWDODHARLFSE-FQEVSTJZSA-N 408.506 2.589 0 50 HFAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1nc2ccc(F)cc2[nH]1 952964122 MHOSIZLGRCZJJE-UHFFFAOYSA-N 412.465 2.572 0 50 HFAA COc1ccc2c(c1)C=C(CNCCCNS(=O)(=O)c1ccc(C)cc1)CO2 952969778 JVGPJDSTSUVWEP-UHFFFAOYSA-N 402.516 2.738 0 50 HFAA COc1ccc2nc(CCN(C)S(=O)(=O)c3c(C)cc(C)c4nonc34)[nH]c2c1 952988485 DRJCUAJCKREJRN-UHFFFAOYSA-N 415.475 2.588 0 50 HFAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704298925 KYJGIQGXGUHPPI-HXOBKFHXSA-N 404.514 2.831 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)c1C 1772708771 JPOGYUQGTLIFGC-XUZZJYLKSA-N 408.546 2.773 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857731064 JKFGMEIQUSVXBC-OALUTQOASA-N 405.520 2.518 0 50 HFAA CO[C@@H]1CN(c2cc(C(C)C)nc(C(C)C)n2)C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 1875333549 AVZSGEBQBDATDQ-IAGOWNOFSA-N 414.554 2.744 0 50 HFAA O=C(NCc1nc(-c2ccco2)n[nH]1)NCC1CCN(CCc2ccccc2)CC1 2325721897 YRUOKVXMNRTIDS-UHFFFAOYSA-N 408.506 2.819 0 50 HFAA CS(=O)(=O)N(C[C@@H]1COc2ccccc2C1)c1cccc(N2CCCC2=O)c1 2356144965 UNVWCNGMQPFFOS-MRXNPFEDSA-N 400.500 2.831 0 50 HFAA O=C(CCCn1cncn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356153694 RBYSAULZBLAZLZ-URVUXULASA-N 417.513 2.650 0 50 HFAA COc1cccc(CC(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356170794 UTENCEJVZOPVLS-YDHSSHFGSA-N 400.519 2.525 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 1149775 SWFHRIKJMNMYEK-UHFFFAOYSA-N 404.488 2.830 0 50 HFAA COc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1OC 2739768 UFWDCHKAJHSZQT-UHFFFAOYSA-N 400.294 2.987 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)CC3CCCC3)CC2)CC1 11816609 ZUUGAWRCEFCIRP-NRFANRHFSA-N 405.583 2.565 0 50 HFAA COc1ccccc1CCC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1C[C@H](C)O[C@H](C)C1 12164562 IRTZRJFYRCGTQB-NSHGMRRFSA-N 414.546 2.892 0 50 HFAA CC1(C)Cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCc4ccccn4)C3)ccc2O1 12436229 WHWBZZATGXCVTO-SFHVURJKSA-N 407.514 2.893 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1 12584997 SPHQAPRODRQGAE-UHFFFAOYSA-N 422.909 2.845 0 50 HFAA Cc1cc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 19363099 GVDQCPYQKSHJSN-SFHVURJKSA-N 418.921 2.935 0 50 HFAA CN1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)CC1 20784497 ZZBHSYWCJRZIPD-UHFFFAOYSA-N 422.529 2.543 0 50 HFAA CCN(Cc1ccncc1)Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC 63847562 LQVRRCXJCSMSRZ-UHFFFAOYSA-N 408.568 2.766 0 50 HFAA Cc1cccc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1 91505408 GITGVLCRSKZRNF-OAQYLSRUSA-N 407.562 2.778 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1conc1-c1ccccc1 670459536 DLGYBWPOZSQLMS-UXVFNKRRSA-N 414.509 2.639 0 50 HFAA O=C(Nc1ccn(Cc2ccncc2)n1)N1CCc2c(cccc2N2CCOC2=O)C1 743164636 LWEQIOJCQLWQEL-UHFFFAOYSA-N 418.457 2.873 0 50 HFAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)CSC)C[C@@]2(CCc2ccccc2)C1 1772819231 HQJAJGLNCJZGEL-FPOVZHCZSA-N 424.632 2.873 0 50 HFAA O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[C@@](O)(Cc2cccc(F)c2)C1 1875254822 XFFFCYOIHBQQBU-BFUOFWGJSA-N 411.399 2.879 0 50 HFAA COCCn1cc(CN(C(=O)C[C@@H]2CCCc3ccc(C(=O)O)cc32)C2CC2)nn1 1875354069 PZFHDCIQMNUYKX-INIZCTEOSA-N 412.490 2.624 0 50 HFAA O=C(O)COc1ccccc1CN1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2100556473 AUTCQBGQSQPUDV-HSZRJFAPSA-N 409.486 2.702 0 50 HFAA Cc1cc(F)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819611 KUBGIOGIPAMEEE-ZBFHGGJFSA-N 404.463 2.549 0 50 HFAA COc1cccc2c1C1(CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC1)OCC2 2356141959 XMXDFWAZVITBQL-UHFFFAOYSA-N 423.513 2.631 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(Oc2ccncc2)CC1 2356147311 QQSYESRBVRRJNQ-UHFFFAOYSA-N 413.543 2.978 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccco1 1163914 ZYJADXCEYNKPHO-UHFFFAOYSA-N 402.447 2.926 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(OC)cc1OC 2475972 DIYHXZHGSOIZNF-CQSZACIVSA-N 415.309 2.822 0 50 HFAA CN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc2ccccc2c1 5065521 MZVCBJCSUGGNKD-UHFFFAOYSA-N 417.575 2.886 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCC([C@H](O)c4cccnc4)CC3)n2)cc1 12308402 YPDRAAOIGWHZIY-FQEVSTJZSA-N 408.458 2.864 0 50 HFAA Cc1nonc1CC(=O)N1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1 12582560 MQYMGILDYZICBR-UHFFFAOYSA-N 408.433 2.826 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O 14880239 SAXKVQNCFSKADN-UHFFFAOYSA-N 403.429 2.921 0 50 HFAA COCCN[C@H]1CCc2c(sc3ncn(CCc4ccccc4F)c(=O)c23)C1 14990192 DEQAGRNEKAIADQ-HNNXBMFYSA-N 401.507 2.933 0 50 HFAA O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 15066062 TXEXGZFQIHVDJK-NRFANRHFSA-N 411.571 2.920 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)=O)CC3)c2)C1 15069102 IGTKNCHBWBXDIO-SFHVURJKSA-N 416.518 2.916 0 50 HFAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 15070048 MPHHBZFCAAFVRW-UHFFFAOYSA-N 420.473 2.558 0 50 HFAA Cc1cccc(CCNCc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)n1 48175441 IDKYXOSGWHRQGM-IYBDPMFKSA-N 413.547 2.681 0 50 HFAA CCOC(=O)[C@@H](Cc1ccccc1)N(C)CC(=O)NCCc1c(F)cccc1F 170623613 OYRWIGJHJIMDLR-HXUWFJFHSA-N 404.457 2.730 0 50 HFAA CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346811 FBOFDJFMOZCIEN-XBJMDHIQSA-N 407.514 2.655 0 50 HFAA biogenic COc1ccc(-c2ccc(CNC(=O)[C@](C)(O)Cn3ccc(C)cc3=O)cc2)cc1 468335886 CFDISMYUPGWCST-XMMPIXPASA-N 406.482 2.900 0 50 HFAA COc1ccccc1[C@@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1nccn1C 761656641 KPPVQYBEWQBOGG-LJQANCHMSA-N 424.480 2.584 0 50 HFAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OCC2CC2)cc1 919992242 DHPYZKBTBDUDKK-UHFFFAOYSA-N 400.500 2.929 0 50 HFAA CNC(=O)CC1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1 1704310125 OWCIVBIKQRWRSD-UHFFFAOYSA-N 418.469 2.544 0 50 HFAA COC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cn2ccc(C)cc2n1 2325826721 KNCVZMOYLCFJJY-OAHLLOKOSA-N 416.275 2.919 0 50 HFAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O 637254 DAWNXAMRKMGNFG-UHFFFAOYSA-N 403.486 2.679 0 50 HFAA CNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 1150329 UJMMEZDWXPTEQP-UHFFFAOYSA-N 411.321 2.694 0 50 HFAA COC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21 1432327 ZTCLTZWCLYPBOH-UHFFFAOYSA-N 415.515 2.717 0 50 HFAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 2877117 HAYSQOPNLLQTSQ-UHFFFAOYSA-N 418.471 2.526 0 50 HFAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 5059064 BUNNZYDTDDLTAU-LPHOPBHVSA-N 414.527 2.959 0 50 HFAA CCOC(=O)c1cc(C(=O)c2ccc(C(=O)O)c(C(=O)OCC)c2)ccc1C(=O)O 5858049 GUELVDUBXBMBMG-UHFFFAOYSA-N 414.366 2.667 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 14531157 NXFLNHYMFMTROP-UHFFFAOYSA-N 422.529 2.835 0 50 HFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccc1)CC2 14744200 JLMULIJTJZEIEI-UHFFFAOYSA-N 422.529 2.917 0 50 HFAA COC[C@@H](C)n1c(CCCC(=O)N2CCC(C(C)(C)O)CC2)nc2cccnc21 77300907 BPLQPELMLULYHU-MRXNPFEDSA-N 402.539 2.971 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)cc1C 77556364 NOSIVGGVCSCOJF-BLRYILKCSA-N 403.482 2.643 0 50 HFAA CCOC1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 91486723 VTNRLYLKDHSRSE-NRFANRHFSA-N 414.594 2.786 0 50 HFAA Cc1ccccc1OCCCC(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 170599051 BSZMALPLRXIPLT-SFHVURJKSA-N 407.470 2.865 0 50 HFAA COCCN1C(=O)c2ccc(C(=O)O[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2S1(=O)=O 229554840 DYLHSWQKUMTGKU-DAESXHAQSA-N 421.515 2.849 0 50 HFAA CN1CCN(CCCNC(=O)Nc2cccnc2-n2cccn2)[C@@H](c2ccccc2)C1 229753921 DKYMURWGBMPBJE-OAQYLSRUSA-N 419.533 2.768 0 50 HFAA CCN(C[C@@H]1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1)CC(F)(F)F 433444203 SFBHTWLYTDKQTO-LBPRGKRZSA-N 413.444 2.940 0 50 HFAA COc1ccc2c(c1)c(C(=O)N1CC[C@H](NC(N)=O)C1)c(C)n2Cc1ccccc1 477460408 RCELYDWNNNNTQR-KRWDZBQOSA-N 406.486 2.889 0 50 HFAA O=C(NCCC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1)c1ccccc1F 1857735730 IJBKNJPXASUMQF-VGOFRKELSA-N 421.472 2.556 0 50 HFAA O=C(NCc1nc(-c2ccco2)n[nH]1)N[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F 1875262600 BHEMKPCNYDZFAS-OAHLLOKOSA-N 423.351 2.939 0 50 HFAA Cc1ccc2c(c1)C[C@@H](C(=O)N1CCN(C(=O)c3ccc4nc[nH]c4c3)CC1)S2 1875342303 KHMMBOPGKOIEPE-FQEVSTJZSA-N 406.511 2.873 0 50 HFAA Cc1c(C(=O)N2C[C@H](C)C(NC(=O)c3cncs3)[C@@H](C)C2)sc2nccn12 2325875853 DFDXHNGUODCADW-QWRGUYRKSA-N 403.533 2.687 0 50 HFAA CNC(=O)[C@@H]1COCCN1C(=O)c1cc2ccc(-c3ccc(C(C)C)cc3)n2cn1 2325900079 KDFCGTULXASWDZ-NRFANRHFSA-N 406.486 2.712 0 50 HFAA Cn1cnc2cccc(C(=O)N3CCC([S@@](C)(=O)=NC(=O)[C@H]4CC4(C)C)CC3)c21 2332238563 CQDZTUPJCPQJQP-HYDGNGQDSA-N 416.547 2.848 0 50 HFAA COc1ccc(OC)c(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 2962579 ZGSSXXKPPDOSOJ-UHFFFAOYSA-N 406.504 2.671 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cc1C 4413942 SLUGIIPCLXAYLH-QGZVFWFLSA-N 417.531 2.506 0 50 HFAA O=C(c1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 4703665 WOTWQIXDHBTWHL-UHFFFAOYSA-N 400.891 2.910 0 50 HFAA CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 9341683 AMONPCVKGNSDRZ-UHFFFAOYSA-N 406.483 2.747 0 50 HFAA CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(C)cc2)c1=O 9935454 KOIXKUVIMIHMTM-UHFFFAOYSA-N 416.275 2.893 0 50 HFAA Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N[C@H](C(N)=O)C(C)C)c1 12431919 CVGZOYXPLYORFL-QFIPXVFZSA-N 424.545 2.673 0 50 HFAA C[C@H](C(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1)n1cncn1 12595157 XVBZAAWAHWTINV-OAHLLOKOSA-N 403.914 2.828 0 50 HFAA O=C(O)CCc1cc(I)c(O)c(I)c1 13529960 REWXSFYNOFYMNX-UHFFFAOYSA-N 417.968 2.619 0 50 HFAA in-vitro O=C(c1ccc(N2CCN3CCC[C@@H]3C2)nc1)N1CCC(CCn2cccn2)CC1 15071115 JBNVNIZEWZLHCD-OAQYLSRUSA-N 408.550 2.505 0 50 HFAA CC(C)Oc1ccc2c(NC(=O)Cn3cccnc3=O)nn(CC(F)(F)F)c2c1 72448267 OKHGSHVNZJEZRB-UHFFFAOYSA-N 409.368 2.581 0 50 HFAA Cc1ccnc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)c1 82115650 BJCHRWJJOQHTCV-NRFANRHFSA-N 407.562 2.778 0 50 HFAA CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 95378960 HLDDKPIAIRSQOJ-UHFFFAOYSA-N 401.850 2.937 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccc(O)cn1 95512992 AXZGGNOJGKLWMT-UHFFFAOYSA-N 401.482 2.927 0 50 HFAA Cc1c(CC(=O)NCc2nnc(N)s2)c2c(n1CC(C)C)CC(C)(C)CC2=O 95518966 GBPCALBFZSQZPF-UHFFFAOYSA-N 403.552 2.900 0 50 HFAA Cc1[nH]c2ccc(C(=O)OCCS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2c1C 225691111 ICTVQOGSZRUQEK-UHFFFAOYSA-N 414.439 2.850 0 50 HFAA CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]2CCO[C@H]21 230274693 OBXCJLKRCAJXJI-RCCFBDPRSA-N 407.536 2.796 0 50 HFAA CN1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2c2ccccn2)CC1 244899932 ZTFAVPAVCBQPOL-SFHVURJKSA-N 424.574 2.906 0 50 HFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 409414357 KWYYKALNXIXNJL-AZUAARDMSA-N 418.534 2.924 0 50 HFAA biogenic Cc1cnccc1N1CCCN(Cc2ccccc2OCCN2CCN(C)CC2)CC1 952971981 YWRXPPHQHOGNTI-UHFFFAOYSA-N 423.605 2.729 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)c1C 1772708774 JPOGYUQGTLIFGC-ZJSXRUAMSA-N 408.546 2.773 0 50 HFAA CCc1ccccc1C(=O)N1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(CCC(=O)O)C1 1772808619 WISZHIGWIIWQQF-HTAPYJJXSA-N 401.507 2.606 0 50 HFAA Cc1ccn(CCC(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857670829 DSQWLGKRDOTLJP-QHCPKHFHSA-N 418.501 2.646 0 50 HFAA O=C(COc1ccccc1CN1CCC(C2CCNCC2)CC1)NC[C@H]1CCCO1 1857678233 JDJKCZAPFVWETB-JOCHJYFZSA-N 415.578 2.572 0 50 HFAA CS(=O)(=O)c1ccc(N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)nc1 1857682918 RDZCETXGJKXHRA-XYJFISCASA-N 407.923 2.765 0 50 HFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCC[C@@]12CCCN(CCO)C2=O 2356164038 BQOWNHNFLMUGJZ-OAQYLSRUSA-N 405.926 2.530 0 50 HFAA COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 797255 CHPAPTSDPCPNQG-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12150946 HGQRFLYNFNLYCA-OAHLLOKOSA-N 423.517 2.930 0 50 HFAA CN1C(=O)C[C@@](CC(=O)N(C)[C@@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O 12158787 PBDJAXKGTOQPCA-YKSBVNFPSA-N 406.482 2.618 0 50 HFAA O=C(CN1N=N[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]21)Nc1ccccc1 18162326 BMPWVECBLLYNGA-GDBMZVCRSA-N 418.240 2.925 0 50 HFAA COc1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 19211532 WYVDZGCQYVFOQV-UHFFFAOYSA-N 420.531 2.527 0 50 HFAA COc1ccc(COC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC 19720909 QACSEFQGXUUKON-HXUWFJFHSA-N 404.482 2.543 0 50 HFAA COc1ccc2cc(Br)ccc2c1CC(=O)NCCCN1CCOCC1 20362892 FDCDOGNLKVGTMX-UHFFFAOYSA-N 421.335 2.992 0 50 HFAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc[nH]n1)CC2)c1ccccc1 77379336 IKSBUQXDDDXLSJ-HNNXBMFYSA-N 410.499 2.648 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 252536330 IEKOVMKHDPVVEZ-ACJLOTCBSA-N 405.458 2.848 0 50 HFAA NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O 253409743 MIIVGOIVTHTSMS-CYBMUJFWSA-N 410.392 2.756 0 50 HFAA COc1ccc2[nH]c(C(=O)Nc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)cc2c1 466988680 RIYDEMHCHJWVGG-CQSZACIVSA-N 402.476 2.602 0 50 HFAA Cc1sc2nc(CCNC3CCN(C(=O)c4cccnc4)CC3)nc(O)c2c1C 952872158 ICQPXVGQDVRXIH-UHFFFAOYSA-N 411.531 2.846 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2C)cc1 880147 GVCXCUQOIGLJQP-GOSISDBHSA-N 402.516 2.794 0 50 HFAA NC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 947142 ZUVTVJUOHLGODF-FQEVSTJZSA-N 413.433 2.632 0 50 HFAA CCOc1ccc(Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1OCC 1074346 HJUZZRRXAKVBTR-UHFFFAOYSA-N 402.476 2.589 0 50 HFAA CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1 4058304 VUXNNGJBDNPRPY-UHFFFAOYSA-N 416.532 2.740 0 50 HFAA CC(=O)N(CCC(=O)NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1 4127554 NFXGQRWICVNCMD-UHFFFAOYSA-N 408.631 2.960 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(C(=O)/C=C/c3cccc(F)c3F)CC2)CC1 11662810 ZHRXHQDWCSNFAI-QPJJXVBHSA-N 417.500 2.960 0 50 HFAA CS(=O)(=O)Nc1cc(CNCc2ccccc2)cc(C(=O)N2CCCCC2)c1 11880923 GIXKROGDEUSOIS-UHFFFAOYSA-N 401.532 2.974 0 50 HFAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2c(C)noc2C)C3)nn1 11977798 MSWCDAOPULUNFG-HNNXBMFYSA-N 412.421 2.559 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CN1Cc1ccccc1F 12431159 DDJIEZFUBFIKFM-HXUWFJFHSA-N 424.520 2.694 0 50 HFAA CN(C)CCNC(=O)CCC1CCN(C2CCN(Cc3ccccc3)CC2)CC1 14953450 PCAOQUNBONLOJK-UHFFFAOYSA-N 400.611 2.821 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 14973558 CUZVXQKIGFUSKQ-FQEVSTJZSA-N 421.545 2.766 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCCN2C)n1CCCc1ccccc1 19336692 RCYLHPSFZKYAJD-FQEVSTJZSA-N 418.607 2.836 0 50 HFAA COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc1Cl 20719570 RGKMPECYICVEBU-UHFFFAOYSA-N 400.870 2.950 0 50 HFAA Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1 20997377 AABUPYYWHJKQFD-IBGZPJMESA-N 419.529 2.901 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2 23129145 YKSFYOIDXKGJIJ-CYBMUJFWSA-N 401.417 2.699 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCc2c[nH]c3ccccc23)n1 44920173 FBGGEYCNLUQVDU-UHFFFAOYSA-N 420.444 2.898 0 50 HFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4csc(C)n4)s3)CC2)nn1 72139256 VBRYYTHKCGCHFF-UHFFFAOYSA-N 421.573 2.789 0 50 HFAA COCCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 92045712 QUNFNROGZGXOKH-UHFFFAOYSA-N 403.479 2.688 0 50 HFAA Cc1ccccc1[C@H](C)CC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 170593262 QYVZNUQEOWGAQH-KNQAVFIVSA-N 423.561 2.562 0 50 HFAA CCN(CCC(=O)NCCOc1cccc(C)c1)Cc1nc2c(C)cccc2c(=O)[nH]1 170638042 WUKRDAFRUHXKOH-UHFFFAOYSA-N 422.529 2.947 0 50 HFAA Cc1cc(=NC(=O)c2sc(C)nc2-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159134 BUTAIJQWYAOEMG-OAHLLOKOSA-N 416.528 2.657 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@H](C)CN1CCc2ccccc2C1 670434337 ZMXKKHSRDKFNOL-OAHLLOKOSA-N 400.504 2.565 0 50 HFAA COC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1 742047173 GMTFPYBYGPDFQK-NSHDSACASA-N 415.475 2.879 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)NCc2csc(Cc3ccccc3)n2)cc1 1506396896 HSNPTUTVYZPHMJ-UHFFFAOYSA-N 401.513 2.572 0 50 HFAA COc1nc2c(cc1CN1CCN(c3ccc(F)cn3)[C@H](C)C1)C(=O)N(C(C)C)C2 1857670373 KOIJEZHZVKVERA-OAHLLOKOSA-N 413.497 2.699 0 50 HFAA CCCn1cc(-n2ccnc2-c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cn1 1857693215 NETCGZSCECRXKM-HXUWFJFHSA-N 409.490 2.820 0 50 HFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1nc(-c2ccc(O)c(OC)c2)oc1C 1857701381 PUQRDZVUYIQFSL-OAHLLOKOSA-N 403.435 2.601 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 1875371827 MVBQGVQZNQAAKM-DOTOQJQBSA-N 407.308 2.774 0 50 HFAA CCCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)OC3CCCCC3)C2)c1C 2325828435 HBSVSGQQHPHGAE-ZWKOTPCHSA-N 404.555 2.978 0 50 HFAA CO[C@H](C(=O)NCC(=O)Nc1ccc2c[nH]nc2c1)c1ccc(Br)s1 2325861728 ZARFDNJCHXXKME-HNNXBMFYSA-N 423.292 2.829 0 50 HFAA O=C(O)c1cc2c(s1)CCOC21CCN(Cc2cccc(OCCO)c2)CC1 2356141813 QQFPXZGMBMNNJE-UHFFFAOYSA-N 403.500 2.881 0 50 HFAA COc1cc(-c2o[nH]c(=NC3CCN(C[C@H]4CCCO4)CC3)c2C(=O)O)ccc1F 2356144265 PJGAKSLWESRKHB-OAHLLOKOSA-N 419.453 2.665 0 50 HFAA COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)C1 2356157979 UNQJVLSZQHQYDL-DLBZAZTESA-N 417.502 2.684 0 50 HFAA COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 949261 FIKZGFJMJDPAKN-UHFFFAOYSA-N 412.471 2.857 0 50 HFAA O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 2755751 JAYCCZFGDAGENU-LBPRGKRZSA-N 405.380 2.928 0 50 HFAA COc1cccc(CCNc2ncnc3sc(C(=O)N[C@@H](C)CO)c(C)c23)c1 12040159 ZAPPZZYIISTRMV-LBPRGKRZSA-N 400.504 2.774 0 50 HFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 14748480 AXKZDTDZZZVURM-UHFFFAOYSA-N 408.502 2.649 0 50 HFAA O=C(NCc1ccc2sccc2c1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 23542811 CWJWLCDGWMRRGC-GOSISDBHSA-N 413.543 2.769 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1 36037736 AAEUPFHIGITHIR-UHFFFAOYSA-N 419.522 2.696 0 50 HFAA Cc1c(CN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)[nH]c2ccccc12 39359936 WFYOZUAXIAOCQV-SFHVURJKSA-N 424.545 2.686 0 50 HFAA O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCCNCC1 67867053 RKLFQUDONUKZBI-LJQANCHMSA-N 405.546 2.671 0 50 HFAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccsc3)[C@H]4C2=O)c1 77505357 XISILWGKSVRFAE-SRYPRDQNSA-N 408.523 2.997 0 50 HFAA CC(=O)C1=NN(c2ccc(Br)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100573254 CPPNKJORYDIDHX-WBVHZDCISA-N 412.243 2.772 0 50 HFAA CCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21 101103744 RTUAKBUZTPKQSP-UHFFFAOYSA-N 418.453 2.777 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 169772826 SLJSAKJFPPDITL-MRXNPFEDSA-N 417.469 2.696 0 50 HFAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H]3OC)c2)cc1 225469118 YGKRECFUOHGAOJ-RTBURBONSA-N 404.488 2.793 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239203314 SCZZHUCHTIMFSN-QCZATERNSA-N 400.862 2.729 0 50 HFAA COc1cccc(CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1 263615388 CCUGTUZWKLZURF-UHFFFAOYSA-N 402.414 2.660 0 50 HFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(N(C)C)c1 328599484 SHXWEXFADVUEJU-HXUWFJFHSA-N 400.504 2.822 0 50 HFAA O=C(Nc1cnn(Cc2ccccc2)c1)N1CCS(=O)(=O)C2(CCCCC2)C1 441132065 FBXGNKSWRJHPOG-UHFFFAOYSA-N 402.520 2.897 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772701371 LESMTHZQHHVGDO-NFBKMPQASA-N 412.555 2.531 0 50 HFAA COc1cc(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)ccc1OCCN1CCCCC1 1772707894 YLCBWIHXXCHZCX-QUCCMNQESA-N 401.551 2.755 0 50 HFAA CC(C)c1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)on1 1857712587 DOBHWQJDEKLJKX-PMACEKPBSA-N 401.511 2.600 0 50 HFAA C[C@]1(c2ccc(-c3nc(-c4cccc(NC(=O)C5CC5)c4)no3)cc2)NC(=O)NC1=O 1875270676 MXMGOFFXQIUNRX-JOCHJYFZSA-N 417.425 2.807 0 50 HFAA Cc1nc(NCc2cccc(OCC(N)=O)c2)c2cnn(-c3cccc(F)c3)c2n1 1875308045 QRQYEXUGKGGKLX-UHFFFAOYSA-N 406.421 2.739 0 50 HFAA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C 2325809485 AKKQLJFUOARIAX-QGZVFWFLSA-N 403.479 2.673 0 50 HFAA O=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)N[C@H](C(=O)O)[C@@H](O)c1cccnc1 2325875836 CUGLMCVTUHJSPI-IRXDYDNUSA-N 408.376 2.825 0 50 HFAA O=C1CC[C@H](N2Cc3cc(NC(=O)Nc4ccc5[nH]ccc5c4)ccc3C2=O)C(=O)N1 2325901773 XHURUQWOQVPRNI-SFHVURJKSA-N 417.425 2.573 0 50 HFAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2OCC)C1 1067657 VEFLHQIJGITVDB-LBPRGKRZSA-N 420.325 2.812 0 50 HFAA CSc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 2839673 GTYREEGFVNIBKP-UHFFFAOYSA-N 408.501 2.584 0 50 HFAA Cc1ccccc1CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 5101184 HONJCAVTAPERON-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA COC1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1 11936075 ORNJLFPTUFHQFK-UHFFFAOYSA-N 405.564 2.919 0 50 HFAA COC(=O)CN(C)C(=O)c1ccc(OC2CCN(C3CCCC3)CC2)c(OC)c1 12074437 HUOJYPRBTRCHEZ-UHFFFAOYSA-N 404.507 2.726 0 50 HFAA CC(=O)N1CCN(C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)CC1 12218708 CLLOHURUHIAAPX-UHFFFAOYSA-N 424.530 2.620 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCCOC(C)C)C2 14542844 LTHYRGOMOXQRHJ-KRWDZBQOSA-N 408.612 2.744 0 50 HFAA CCOc1nc(NC(=O)NS(=O)(=O)c2ccccc2C)nc(-c2ccccc2)n1 22016274 MYVLNIPQHXBIDS-UHFFFAOYSA-N 413.459 2.756 0 50 HFAA CC(=O)N1CCCN(C(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)CC1 39406544 PVFABDYJBRPEOF-UHFFFAOYSA-N 405.542 2.737 0 50 HFAA Cc1nc2cc(OCc3nc(C(=O)NC4(C(N)=O)CCCC4)co3)ccc2s1 67803073 IUMBFGDVBXGURQ-UHFFFAOYSA-N 400.460 2.700 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)c(C)c1C 104379073 MNKJQUGDQCWATK-HXUWFJFHSA-N 416.591 2.893 0 50 HFAA CCCn1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1 225700703 KLESMEAEJUMNKS-UHFFFAOYSA-N 424.954 2.664 0 50 HFAA CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Oc2ccc(C(C)(C)C)cc2)[C@@H]1OC(C)=O 245174514 YQHDZSXCUIGEGY-IYWMVGAKSA-N 408.447 2.514 0 50 HFAA COc1ccc([C@H]2[C@@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC(=O)N2C)cc1 253396323 BABDFVCADQDSRG-DXKRWKNPSA-N 413.562 2.938 0 50 HFAA biogenic Cc1sc(NC(=O)[C@@H](C)CS(C)(=O)=O)nc1-c1ccc2c(c1)CCC(=O)N2 466628667 QWUBMKUUJXDCBX-JTQLQIEISA-N 407.517 2.622 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(C)c(OC)c(C)c2)cc1OC 1529144252 VAUKQVORKSKPIR-NHCUHLMSSA-N 415.486 2.904 0 50 HFAA CC(C)=CCN1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1875242280 QQZOQSXRPACNQJ-PIBDYAPNSA-N 422.573 2.501 0 50 HFAA NC(=O)c1cccnc1N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 2100483500 ZFNNUBVDKGVAAH-UHFFFAOYSA-N 401.470 2.828 0 50 HFAA O=C(Cc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)Nc1ccc(F)cc1 2325762745 ZVJTUFJKQJQOEQ-UHFFFAOYSA-N 410.405 2.529 0 50 HFAA C=CC(=O)Nc1ccc(C(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)cc1 2325888888 DWUGBRHMPGEUFP-UHFFFAOYSA-N 400.438 2.810 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 3978026 ITRJWOMZKQRYTA-YIMZLLHESA-N 402.487 2.561 0 50 HFAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)s1 12029550 HPLRPHLWSUYHRZ-LJQANCHMSA-N 419.591 2.668 0 50 HFAA COc1ccc(CNCCn2cccn2)c(OC[C@H](O)CN2CCCCCCC2)c1 12471625 NCZQVZYSEHRHHR-OAQYLSRUSA-N 416.566 2.687 0 50 HFAA Cc1cc(C)c(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c(C)c1 22384083 DOQXRFIOLDRFLE-UHFFFAOYSA-N 415.559 2.727 0 50 HFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610849 CTHSOIDVEZGAMV-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)nc(C)n1 72436972 NMMPSYWYWZMJHO-UHFFFAOYSA-N 419.489 2.762 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408516988 ICHGRHUBHYANMX-DGAVXFQQSA-N 412.412 2.595 0 50 HFAA Cc1nc(Cn2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)nn2)no1 492137443 YRJIKKNKEJPKKF-IBGZPJMESA-N 400.442 2.806 0 50 HFAA CCOc1ccc(N2C[C@@H](C(=O)N3CCOc4cc(OC)ccc4C3)CC2=O)cc1 802251969 JCONMJPDYURFRR-KRWDZBQOSA-N 410.470 2.868 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C)c(F)c2F)cc1OC 1529095893 YULPBBXFTLWKMK-YLJYHZDGSA-N 407.413 2.865 0 50 HFAA COc1ccc2c(C)cc(N3CCCN(S(=O)(=O)N4CCCCC4)CC3)nc2c1 1529189374 NPGAPRSUKZERHZ-UHFFFAOYSA-N 418.563 2.795 0 50 HFAA CCCc1cc(C(=O)N[C@@H]2CCCC23CCN(C(=O)C2CCOCC2)CC3)n[nH]1 1857666809 KTHDJSWVHGMNDS-LJQANCHMSA-N 402.539 2.680 0 50 HFAA CCCCCCn1cc(-c2cnc(C(=O)NC3(C(=O)O)CCOCC3)c(C)c2)nn1 1875354107 RBQRDRPNAMYBKM-UHFFFAOYSA-N 415.494 2.592 0 50 HFAA O=C(O)CC[C@H]1CCN(C(=O)CCc2cn(-c3ccccc3Br)nn2)C1 1875354636 YXWOLLANYXKLHC-ZDUSSCGKSA-N 421.295 2.676 0 50 HFAA C=CC(=O)NC[C@H](NC(=O)[C@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875383240 MDPLPSXMMLMQNF-FCHUYYIVSA-N 421.497 2.871 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(F)cc(F)c2)C1 2325889438 QMIBRKSVADSNAZ-KSSFIOAISA-N 405.445 2.709 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCCC1 710957 HCHUBESFAFIURP-UHFFFAOYSA-N 400.566 2.653 0 50 HFAA CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1cccc(OC)c1 1125720 NBUNQZCEDIIGOF-QGZVFWFLSA-N 416.455 2.575 0 50 HFAA CC(=O)NCSC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2577038 ILFFSHOJZXAWJQ-OAHLLOKOSA-N 400.500 2.713 0 50 HFAA in-vitro COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)N1CCOCC1 3548848 IAIPVPGTMQJVGB-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697513 BYMBJWCMZLOITP-QGZVFWFLSA-N 404.474 2.731 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697972 UMMXIOGHYXKJIL-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA Cc1nc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)cs1 11820305 ZOEXAFFWRNUJKU-GOSISDBHSA-N 424.592 2.643 0 50 HFAA COC(=O)[C@@H](NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)C(C)C 12196489 KVHVOSGMUSWENQ-KRWDZBQOSA-N 413.396 2.926 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)s1 12385291 LCILEETWSVUTGV-KRWDZBQOSA-N 400.504 2.870 0 50 HFAA COC(=O)[C@H](CCSC)NC(=O)c1cc(COc2cccc3cccnc23)on1 12453705 CVARDCISQLCUAX-HNNXBMFYSA-N 415.471 2.826 0 50 HFAA COCCCN1C(=O)C[C@@](CC(=O)NCc2ccccc2F)(c2ccccc2)C1=O 14878731 KHWZADZLPBCONA-QHCPKHFHSA-N 412.461 2.565 0 50 HFAA CC(C)CSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1C 14881958 CMLCBBLEWTUMFJ-UHFFFAOYSA-N 401.536 2.663 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 20351652 XUQGBLOZXXSHBD-NRFANRHFSA-N 401.551 2.597 0 50 HFAA COC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)OC(C)(C)C 34173489 HNCUXLSIVYDGBW-LBPRGKRZSA-N 405.232 2.900 0 50 HFAA biogenic COc1nc2c(cc1CNc1nc(C)ncc1C)C(=O)N(CCc1ccccn1)C2 71439436 VDYFJCCKADJTLP-UHFFFAOYSA-N 404.474 2.703 0 50 HFAA O=C(c1ccccn1)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777600 COAXCRUHZCBGOJ-MRXNPFEDSA-N 401.430 2.867 0 50 HFAA CC(C)Cn1nc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc2c1=O 170613733 MUHVFQMKVBWERM-AVRDEDQJSA-N 410.562 2.976 0 50 HFAA CS(=O)(=O)Cc1ccc(C(=O)OC2CCN(c3ccc(Cl)nn3)CC2)cc1 170625749 ZEUANFSHZXRTSJ-UHFFFAOYSA-N 409.895 2.500 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F 195568330 GEGYIPIJWZTGBW-AWEZNQCLSA-N 408.499 2.721 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 245242305 ZPXAYNDLMJTIIK-LVBDUCALSA-N 405.429 2.565 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@@H]1CCCN12 249691989 MEEKKTRFOXYBCC-XHOYROJHSA-N 419.456 2.671 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2ccc3c(ccn3C)c2)N=C1O 252536982 KBAFWZLVFMHQBU-GOSISDBHSA-N 420.469 2.883 0 50 HFAA Cc1ccc(N2CCC[C@@H]2COC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)nn1 253369393 CAYNIFCFMLWSCT-NMLBUPMWSA-N 422.533 2.925 0 50 HFAA CC1(C)CN([C@H](CNC(=O)c2cnn3ncccc23)c2ccc(Cl)cc2)CCO1 434115073 PPAQNLOLYFOPSZ-LJQANCHMSA-N 413.909 2.965 0 50 HFAA C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 770205285 JORHFOFWEYATLD-OAHLLOKOSA-N 412.515 2.873 0 50 HFAA O=C1N[C@H](c2cc3ccccc3nc2N2CCOCC2)N2Cc3ccccc3C[C@@H]12 877867320 ZMWUYPDITPRURG-GMAHTHKFSA-N 400.482 2.627 0 50 HFAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952891939 DESPBANKYRNELN-MJGOQNOKSA-N 415.534 2.744 0 50 HFAA CCN1CCN(Cc2cc(C)cc(CN3CCC[C@@](CC)(C(N)=O)C3)c2C)CC1 1506425826 NCHXIIQOZUMSIV-XMMPIXPASA-N 400.611 2.918 0 50 HFAA Cc1nonc1OCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857671989 BFLDFTMCPDUTER-LBPRGKRZSA-N 405.842 2.584 0 50 HFAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2nccn2C)C1 1875248632 CMHCTWKNHFNTPT-DEOSSOPVSA-N 417.561 2.994 0 50 HFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 1875253732 UHWPFIFBSAYTGZ-SFHVURJKSA-N 424.526 2.912 0 50 HFAA Cc1c(C(=O)N2C[C@@H](C)C(NC(=O)c3cncs3)[C@H](C)C2)sc2nccn12 2325875852 DFDXHNGUODCADW-GHMZBOCLSA-N 403.533 2.687 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)O)cc1 814812 DIVWKGSOCQDOPU-GOSISDBHSA-N 405.414 2.913 0 50 HFAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1575986 OEANOUHCLXZBNG-LIRRHRJNSA-N 409.442 2.595 0 50 HFAA in-vitro CCOCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 1902921 SCZGDNTUTBKVNY-UHFFFAOYSA-N 412.874 2.545 0 50 HFAA Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4F)CC3)O2)n1 11995544 LPMOQOXCDDQLOY-QGZVFWFLSA-N 404.461 2.642 0 50 HFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cc(C)on2)C1 12073734 UWQIVFMGGIMAMT-IBGZPJMESA-N 414.550 2.908 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc(C)cs2)n1C[C@@H]1CCCO1 12305202 GHUHEUGLVOMGTP-INIZCTEOSA-N 412.581 2.643 0 50 HFAA COc1cccc(CO[C@@H]2CN(Cc3nc[nH]c3C)CC(=O)N(CC(C)C)C2)c1 14733151 YPYQASODZNEFDT-HXUWFJFHSA-N 400.523 2.612 0 50 HFAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1ccc2c(c1)OCO2 14990331 DSRHNKGJOWEOCI-UHFFFAOYSA-N 424.482 2.659 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)CC1 20780962 MQZBRTCLPFIBOV-QHCPKHFHSA-N 411.594 2.818 0 50 HFAA CN1CCN(CCC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 20996003 BDDUBLPYFNTXFP-KRWDZBQOSA-N 411.468 2.764 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 65364189 NKIUHKWUYKTPGU-MRXNPFEDSA-N 424.892 2.935 0 50 HFAA CC[C@H](C)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 245324872 BHKTUHAQVLFBBP-XOWSPFIPSA-N 421.472 2.792 0 50 HFAA CN(C)CCOc1cccc(CNC[C@@H]2C[C@H](CO)N(C)[C@@H]2c2ccccc2F)c1 247963756 FZVQXZZWKXPELX-ROKPMTFOSA-N 415.553 2.910 0 50 HFAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 253426847 BEWLITYOGPUGQS-MRXNPFEDSA-N 405.495 2.971 0 50 HFAA Cc1nc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c2ccccc2n1 299792593 GOSWJMNIEIZDJG-FQEVSTJZSA-N 423.561 2.700 0 50 HFAA Cc1ccc(C[C@]2(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)CCC(=O)N2)cc1 299802088 ZZSGBZLUKUVVLM-XMMPIXPASA-N 411.546 2.580 0 50 HFAA CC1(C)CC(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)N1 952973339 SFKBVGMOJIPOFA-UHFFFAOYSA-N 415.987 2.681 0 50 HFAA O=C(O)C(CCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)C(=O)O 1704314099 OBXHWJUQTXNKQM-QHCPKHFHSA-N 409.486 2.989 0 50 HFAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)n2)c1 1857682913 QUNMTFAGGJTKMU-KRWDZBQOSA-N 413.474 2.708 0 50 HFAA O=C(NCCOc1ccccc1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857700894 AOFIYFNEEZBJGT-QGZVFWFLSA-N 422.510 2.677 0 50 HFAA C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 1875252054 NWBNHEPZTBLGRI-OALUTQOASA-N 424.549 2.554 0 50 HFAA CC(C)c1ccc(-n2ccnc2SCC(=O)O[C@@H](C)CNS(C)(=O)=O)cc1 1875261517 URSYDEVKZLMEEZ-AWEZNQCLSA-N 411.549 2.569 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C 1875305604 FZXQEDXPAYWHMI-DKIMLUQUSA-N 417.506 2.940 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 711361 PZMOJWQNIFNLAG-IBGZPJMESA-N 416.499 2.964 0 50 HFAA COc1ccc(OC)c(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c1 1218842 SECYBHNBRIGROB-NSHDSACASA-N 400.715 2.823 0 50 HFAA COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 3549347 IDUDQGYLMRQSPQ-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 6729120 FMMCFDPANROJIH-MRXNPFEDSA-N 410.536 2.507 0 50 HFAA COC(=O)C1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)CC1 10681817 POHBUPIVQPDKQZ-UHFFFAOYSA-N 414.487 2.732 0 50 HFAA COc1ccc(-c2cn3c(C(=O)N[C@@H](C)Cn4cncn4)csc3n2)cc1F 11664636 ZDGPTBCNLBZRIP-NSHDSACASA-N 400.439 2.621 0 50 HFAA O=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 12307686 MAKBCVFXUGUEIM-NRFANRHFSA-N 409.486 2.560 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)c2)s1 12385292 LCILEETWSVUTGV-QGZVFWFLSA-N 400.504 2.870 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)=O)CC3)c2)C1 15069100 IGTKNCHBWBXDIO-GOSISDBHSA-N 416.518 2.916 0 50 HFAA COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(=O)N1CCOCC1 16576608 ZFEAHISPXWXEPJ-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)on1 33270425 SALWFEWUBNMREL-KRWDZBQOSA-N 405.476 2.508 0 50 HFAA COCc1nn2c(ncc3c(=O)n(CCCN(C)C)ccc32)c1-c1ccc(F)cc1 40397074 HULPTJDEKFDXSK-UHFFFAOYSA-N 409.465 2.948 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 44900455 CNUVSFRMYSPVTK-OAQYLSRUSA-N 423.444 2.658 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1C 104487675 CYRJBFFIKVNUNV-GOSISDBHSA-N 404.580 2.595 0 50 HFAA O=C(COc1ccccc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764098 WXUBVNONGTVGJE-UHFFFAOYSA-N 400.866 2.772 0 50 HFAA COc1cccc2ccc(CN3CC[C@H](N(C)CCc4ccccn4)[C@@H](O)C3)nc12 208459141 XDIRCDVIRUKCLT-VXKWHMMOSA-N 406.530 2.748 0 50 HFAA C[C@@H]1[C@@H](N2C[C@@H](C(=O)Nc3nc(CN4CCOCC4)cs3)CC2=O)CCC[C@H]1C 248157011 MKDXWESLXHPYJI-CVYDXHPNSA-N 420.579 2.587 0 50 HFAA Cc1n[nH]c(C)c1CNC(=O)CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252497133 PZTPULAMKOUSOV-SFHVURJKSA-N 405.458 2.906 0 50 HFAA C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)/C=C/c2nc3ccccc3o2)C1=O 253421760 QECDZNXMLYLAAA-LEQVUBRHSA-N 404.426 2.816 0 50 HFAA Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)cc2)c1 1447363235 MAJROIUSEONNJE-FQEVSTJZSA-N 414.527 2.574 0 50 HFAA O=C(NC[C@@H](O)c1cccnc1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857698849 LCCLXPWWHNMYOA-QGZVFWFLSA-N 400.866 2.942 0 50 HFAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCOc2ccccc2C1 2356142691 CTRVZEOXADZLKZ-VUMVONDWSA-N 403.482 2.740 0 50 HFAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)C(C)C 11842742 LHAVXLPMTBWBAI-QHCPKHFHSA-N 423.557 2.928 0 50 HFAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11873120 GRSGEQWKUODIRH-OAHLLOKOSA-N 407.446 2.846 0 50 HFAA O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 12123619 FUUYLDLPANRFRD-SFHVURJKSA-N 414.465 2.902 0 50 HFAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@@H]1COCCO1)N1CCCCCCC1 12299974 HEJDAJVJNLMUEN-QGZVFWFLSA-N 420.941 2.899 0 50 HFAA COc1ccc(OCc2cc(C(=O)N[C@H]3CCCCNC3=O)no2)c2ccccc12 12373717 KMTODZWXQLBOMX-KRWDZBQOSA-N 409.442 2.814 0 50 HFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1ccc2c(c1)OCO2 14981677 NQQVVUPGZNGIJQ-UHFFFAOYSA-N 401.551 2.613 0 50 HFAA O=C(C1CC1)N1CCC(Oc2ccc(C(=O)N3CCCC[C@@H]3CCO)cc2)CC1 15076829 AHANQRRHQAJXFK-LJQANCHMSA-N 400.519 2.844 0 50 HFAA Cc1nc(CN2C[C@H](OCc3ccccn3)CN(Cc3ccoc3)CC2=O)cs1 19851708 UWCNQTQRBSGAGS-HXUWFJFHSA-N 412.515 2.869 0 50 HFAA Cc1[nH]c2ccccc2c1CCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 23129388 HAIWPVKDNCRLOX-NRFANRHFSA-N 423.557 2.881 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 23360818 CIBIYTYYIXWFRY-FQEVSTJZSA-N 422.529 2.541 0 50 HFAA CN1CCN(C(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)CC1 65892510 PAPUDYYWKXWMIJ-UHFFFAOYSA-N 420.557 2.925 0 50 HFAA CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 95644657 QDQJVWZWVBSDQO-YJDFRJIGSA-N 417.546 2.593 0 50 HFAA in-vitro C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1 225500202 CULLLXMOUXPCQL-QGZVFWFLSA-N 407.522 2.933 0 50 HFAA COc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 248122421 FSUBVHAIWLBSEJ-WOJBJXKFSA-N 423.469 2.500 0 50 HFAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](CNC(=O)c2ccc(-c3ccco3)nc2O)C1 253536151 FUIDZNUARWBWSK-XEZPLFJOSA-N 402.447 2.506 0 50 HFAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)CCCN(C)C)c1=O 299765172 JRLISUJQBNMQNU-UHFFFAOYSA-N 418.582 2.907 0 50 HFAA Cn1cncc1CN1C[C@H]2CN(CCSc3ccccc3)C[C@@]2(CCC(=O)O)C1 1772819503 MOQHOKXQASPOQG-GCJKJVERSA-N 414.575 2.811 0 50 HFAA COC(=O)c1sncc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc(Cl)c1 2325823865 GMOXPEOPROCYSG-CYBMUJFWSA-N 406.851 2.850 0 50 HFAA Cn1c(=O)c2c(nc(SCCc3ccccc3)n2Cc2ccccc2)n(C)c1=O 625420 DYAASOOLNICKAL-UHFFFAOYSA-N 406.511 2.817 0 50 HFAA COC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791228 XULHDSKIMUKLFF-NSHDSACASA-N 401.444 2.761 0 50 HFAA O=C(NCc1cccnc1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 6700616 BOHGTDJMHZBIRV-UHFFFAOYSA-N 402.336 2.811 0 50 HFAA COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 7560850 ASSBOXTXDUWGHK-UHFFFAOYSA-N 405.545 2.707 0 50 HFAA Cc1csc(CN(C)Cc2ccccc2OC[C@H](O)CN2CCSCC2)n1 11878801 RRKHYGZMVAZJPC-GOSISDBHSA-N 407.605 2.872 0 50 HFAA CC[C@H](C)CC(=O)N1CCc2c(cnc(C)c2CNC(=O)CN2CCCCC2)C1 11965489 OEBUIDAYBRMLLK-KRWDZBQOSA-N 400.567 2.813 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n[nH]1 14542929 XKTZODXDEDUACR-HXUWFJFHSA-N 410.518 2.921 0 50 HFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 17092277 NBOUAFWGZWAPKT-ZIAGYGMSSA-N 420.531 2.929 0 50 HFAA COc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 23128947 JIFFBOCUCGFJRV-UHFFFAOYSA-N 411.550 2.584 0 50 HFAA Cn1cc(CCC(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 55358661 IVJKDZYZSAYYBX-OAQYLSRUSA-N 415.969 2.819 0 50 HFAA CN1CCC(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 67603415 CTLWCJWHOGIFNK-UHFFFAOYSA-N 419.522 2.616 0 50 HFAA CCC(CC)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77393800 INEUXTQGRKCHKJ-UHFFFAOYSA-N 408.549 2.968 0 50 HFAA Cc1cccc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)n1 82096933 FOAJMLAMRFDNES-OAQYLSRUSA-N 407.562 2.778 0 50 HFAA COc1cc(N2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)nc(N)n1 95528428 DRUXWAWSDOMKRS-UHFFFAOYSA-N 401.898 2.740 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCCC3 169769505 YOXAMMKQYCOVGW-UHFFFAOYSA-N 408.458 2.580 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780314 UQRVDFKOLZPWRP-CQSZACIVSA-N 408.462 2.837 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 170595839 BMMXPXHNJLEIHR-UHFFFAOYSA-N 408.090 2.955 0 50 HFAA CCN(Cc1c[nH]c2ccccc12)C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 443724257 MLFJVUZEASIKBM-UHFFFAOYSA-N 413.499 2.698 0 50 HFAA O=C1CCN(C(=O)C(F)=C2CCCC2)CCN(c2nc3c(F)cccc3o2)CCN1 952878872 DXEUMUQJXQFPTH-UHFFFAOYSA-N 418.444 2.919 0 50 HFAA CCc1cc(N[C@H]2CCCN(C(=O)c3cccs3)C2)nc(N2CCOCC2)n1 1529155389 RXRNTLWYJPLMJX-INIZCTEOSA-N 401.536 2.654 0 50 HFAA C[C@@H](C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1)c1ccccc1 1857723962 FDCQSDPMKSKWFF-QGZVFWFLSA-N 422.529 2.629 0 50 HFAA Cc1nc(CN2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)cs1 1875242428 RTCJMTXATSKTIG-LJQANCHMSA-N 414.575 2.844 0 50 HFAA COC(=O)c1c(NC(=O)[C@@H]2CCC(=O)N(CC(F)(F)F)C2)sc2c1CCCO2 2325862460 UYZXLUWUGVIOHH-SECBINFHSA-N 420.409 2.599 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccno4)C3)[C@@H]3CCCC(=O)N23)c1 2356135022 MPAJAWACYYCLFK-UMGGQSCQSA-N 409.486 2.768 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCC(=O)NC2CCCC2)CC1 2356159885 UHELKTIZXAGKEX-UHFFFAOYSA-N 400.519 2.925 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 2202129 NBMGFANRGOHZKM-KRWDZBQOSA-N 402.454 2.606 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c3cccnc23)CC1 2803601 UNFOOTBUQANOCE-UHFFFAOYSA-N 412.309 2.607 0 50 HFAA COc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O 2987608 MQYKJQDGAXGHDG-UHFFFAOYSA-N 422.572 2.819 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccccn1 11821525 VQDRRUOUNULBEV-HSZRJFAPSA-N 414.509 2.756 0 50 HFAA COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN([C@H]4CCSC4)CC3)C2=O)cc1 11842020 XNXYSORMOBPIHU-AVRDEDQJSA-N 417.575 2.766 0 50 HFAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC1(c2ccccc2)CC1 11873651 TXCULEPDUJXKRI-HXUWFJFHSA-N 407.514 2.581 0 50 HFAA Cc1c(CC(=O)N[C@@H](C)Cn2cncn2)c2c(n1Cc1ccccc1)CCCC2=O 12201720 PJRFDHJJAGZXRV-INIZCTEOSA-N 405.502 2.703 0 50 HFAA O=C(NCCOc1ccc(F)cc1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12455083 KPWKQTRQZPHGPF-QGZVFWFLSA-N 402.441 2.941 0 50 HFAA CCOC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)/C=C/c2cnn(C)c2C)nc1C 13961415 IIAPWCAOOVCBGB-FDMDGMSGSA-N 418.519 2.896 0 50 HFAA CSc1ncc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)cn1 14981151 YTLGIHZERPEQFL-QGZVFWFLSA-N 406.577 2.530 0 50 HFAA CCc1ccccc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 19800179 SZPSILJRWVDORR-UHFFFAOYSA-N 415.559 2.527 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19943504 NCKTULMHFPQZGF-UHFFFAOYSA-N 418.515 2.547 0 50 HFAA CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)NCCc2nnc(S)n2C2CC2)C1 225504713 WOQAKXCPNQNJBS-ZUOKHONESA-N 421.567 2.598 0 50 HFAA Cc1c(NC(=O)NCc2ccc(-n3ccnc3)nc2)nnn1Cc1ccccc1F 801810682 MBWAMCZXCMIAAC-UHFFFAOYSA-N 406.425 2.676 0 50 HFAA Cn1cncc1CC(=O)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952895050 XUXLWZKPTBFCTR-SFHVURJKSA-N 405.380 2.745 0 50 HFAA CC(=O)N1CCC(CC(=O)NCc2ccccc2F)(N2Cc3ccccc3C2=O)CC1 952962839 LVRUBOSJLSUMPK-UHFFFAOYSA-N 423.488 2.869 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(Cc3cc(F)cc(F)c3)CC(=O)N2[C@H]1c1ccccc1 1857709560 FUQVXWQOOQGKOZ-ZJOUEHCJSA-N 400.425 2.912 0 50 HFAA Cc1ccc(=NCCCNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)[nH]c1 1857718211 CUVUOHUWLJHTIS-KRWDZBQOSA-N 408.506 2.573 0 50 HFAA Cc1nc(NC(=O)[C@@H](C)OC(=O)[C@H]2CSCN2C(=O)c2ccccc2)sc1C 1875346282 YQMFUKDBYFTYHE-IUODEOHRSA-N 419.528 2.845 0 50 HFAA Cc1ccc(OCC(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1C 2356142336 NXJAQKJUPVYEQA-SKPFHBQLSA-N 414.546 2.969 0 50 HFAA O=C1CC[C@H](Cc2nc(-c3c[nH]c4ccccc34)nn2-c2ccc3c(c2)OCO3)N1 2356159644 LBRGJHJGQMCQOZ-CYBMUJFWSA-N 401.426 2.965 0 50 HFAA CCc1cc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)nc(N2CCCC2)n1 2356165118 UIKPRWWMCLWROZ-AUSIDOKSSA-N 410.518 2.524 0 50 HFAA CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc3ccccc3c2)S1 859529 VXYYQYLMYACMOO-IBGZPJMESA-N 419.528 2.722 0 50 HFAA Cn1ccnc1CN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 11819037 QSRUYXNVLBQWPR-JOCHJYFZSA-N 409.578 2.757 0 50 HFAA O=C(NCC1CCN(C(=O)C2CC2)CC1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12197584 PSLMMZSVYXLHBS-FQEVSTJZSA-N 403.567 2.570 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1CCOC1 12387437 IZKXPJOCFWSCBB-OAHLLOKOSA-N 402.882 2.989 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ncccn2)CC1 12582842 HTHQTTGSZQJNSC-NRFANRHFSA-N 424.593 2.860 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NC1Cc3ccccc3C1)C2 14532477 MHVVEVPIBLFYSA-HXUWFJFHSA-N 422.573 2.626 0 50 HFAA O=C(NCCOc1ccccc1)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14541634 XDIOVZZKYBFPHG-VQTJNVASSA-N 407.514 2.535 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCCc1ccncc1)CC2 14749545 STFCOUYUAPBDCM-FQEVSTJZSA-N 403.530 2.777 0 50 HFAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 20201541 WYAZPOXONVQNSY-ZDUSSCGKSA-N 407.440 2.942 0 50 HFAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCc1ccc(Cl)cc1 20457865 PPTPJPOARYHQMD-UHFFFAOYSA-N 401.894 2.503 0 50 HFAA CN1CCC(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 71375957 FBAZXWFPPGQQMU-UHFFFAOYSA-N 415.559 2.973 0 50 HFAA Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)O)CN(C(=O)c3ccccc3Cl)C2)cn1 72130980 FDNAMVSBZNFVHT-KGLIPLIRSA-N 401.850 2.845 0 50 HFAA O=C(NCc1ncc[nH]1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91988494 HHUIWJPZJWBAJZ-MRXNPFEDSA-N 408.506 2.548 0 50 HFAA CC(C)CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95506344 AYZZRASBWSHRBX-UHFFFAOYSA-N 402.944 2.919 0 50 HFAA COc1ccccc1CNC(=O)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169759856 XREVJAKRTNJSJY-NRFANRHFSA-N 407.426 2.822 0 50 HFAA COc1ccc(OC)c(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)c1 169777267 XNUVOGOELKCSNQ-UHFFFAOYSA-N 410.474 2.889 0 50 HFAA Cc1nc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(Br)c4)C3)nn2)no1 169777898 ICOCNHCGHUMMAZ-CQSZACIVSA-N 417.267 2.876 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccsc4)ccn3n2)c1 169781143 PNQBRMXQTIEALM-UHFFFAOYSA-N 408.483 2.592 0 50 HFAA CCc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4cccnc4)CC3)CC2=O)cc1 170627059 HQCUMEOZGTVWLN-FQEVSTJZSA-N 406.530 2.778 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1nc(CCC2CCCC2)n[nH]1 252549968 RYAGRORJRNCXMB-KEYYUXOJSA-N 406.556 2.592 0 50 HFAA CCn1cc(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)c(=O)c2ccc(C)nc21 1506420745 QKOSULPMHNGJGA-LJQANCHMSA-N 404.514 2.854 0 50 HFAA O=C1CN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C[C@H](Cc2ccccc2)N1 1772700955 KFYXKTJCBLKORY-HNNXBMFYSA-N 405.424 2.643 0 50 HFAA COc1cc(F)ccc1CN1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857691780 CXRAXMXQJYXFIW-VXKWHMMOSA-N 402.514 2.996 0 50 HFAA COc1cccc(CC(=O)NC[C@H]2[C@H]3CN(c4ncccc4F)C[C@]34CC[C@H]2O4)c1 1857719814 WDRREEGWVGSBCC-XNSSQMBPSA-N 411.477 2.572 0 50 HFAA NCc1nc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)co1 1857722801 OGRPBGSXVKUZQT-VQTJNVASSA-N 407.426 2.817 0 50 HFAA C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnn(C)c1Cc1ccccc1 1875358374 TYUKBLABHYRPTC-OAHLLOKOSA-N 401.474 2.552 0 50 HFAA Cc1ccc(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)c2cnc3n[nH]c(C)c3c2)cc1O 1875361661 YDXLMSDLSBWTGX-KRWDZBQOSA-N 421.501 2.951 0 50 HFAA Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccncc1 7361716 GOMGBSVLKBVCAQ-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)NCC(C)(C)CO)CC2)CC1 11709947 GHZGVJOPEREGMG-UHFFFAOYSA-N 401.595 2.806 0 50 HFAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O 12207264 OPTQECLEVFDSNN-WZONZLPQSA-N 416.518 2.520 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCC1(O)CCCCC1)CC2 14754044 KKRRIFCMZJAZGF-LJQANCHMSA-N 410.562 2.834 0 50 HFAA CC(=O)N1CCC(N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 19840061 XUXCBLYSVKWKFE-QFIPXVFZSA-N 404.986 2.937 0 50 HFAA O=C1NCCN1c1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc1 20207221 RJDOYZNLSAFNHC-XMMPIXPASA-N 422.573 2.718 0 50 HFAA Cc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55053691 AAOOZQHWNVQFDP-IBGZPJMESA-N 403.885 2.794 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 91663470 GRROLAWQPDYBIY-JOCHJYFZSA-N 411.590 2.579 0 50 HFAA COc1cc(OC)cc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 169772358 NUJWFRJDPCPSBO-UHFFFAOYSA-N 410.396 2.911 0 50 HFAA CC(=O)N(Cc1nnsc1Cl)S(=O)(=O)c1ccc(Br)cc1 170597156 BIOZBLFMRGSDGV-UHFFFAOYSA-N 410.702 2.691 0 50 HFAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 334161230 WUSUPMGMHFVEEA-MRXNPFEDSA-N 414.849 2.515 0 50 HFAA COc1nc2c(cc1C(=O)N[C@H]1COc3ccccc3C1)C(=O)N(C1CCCC1)C2 426701327 AWCGEHOMZMFXET-OAHLLOKOSA-N 407.470 2.722 0 50 HFAA C[C@@H](Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)c1nnnn1C1CCCCC1 469329460 WMNNCQZNBVDOKA-QGZVFWFLSA-N 411.554 2.668 0 50 HFAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2nc3cccc(Cl)c3n2C)C1 475702705 UPYPJINQYUYENU-CQSZACIVSA-N 405.930 2.921 0 50 HFAA C[C@H](OC(=O)Cn1cnc2c(N)ncnc21)C(=O)Nc1ccccc1-c1ccccc1 750505200 FAIPLSVJALWSBF-AWEZNQCLSA-N 416.441 2.646 0 50 HFAA CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2cccc(C)c2)c1C 952981033 KBFKFGQBSFADKN-AWEZNQCLSA-N 410.503 2.758 0 50 HFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)CC2 1506420762 BAXRICPGUVSORM-NRFANRHFSA-N 411.546 2.542 0 50 HFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 1506421036 SPOKDDAPZXNBNK-UHFFFAOYSA-N 405.458 2.755 0 50 HFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@H](OCc2ccccn2)C1 1506421219 HCCQWVNMWSXNFQ-IBGZPJMESA-N 406.486 2.780 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2noc([C@@H]3CCCO3)n2)s1 1506427332 KZNZEWTYUDUFFO-LBPRGKRZSA-N 424.504 2.775 0 50 HFAA COc1nc2c(cc1C(=O)Nc1c3c(nn1C)CSC3)C(=O)N(C1CCCC1)C2 1529168775 LDKYOFAXQMDAGC-UHFFFAOYSA-N 413.503 2.721 0 50 HFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)N=c2[nH]sc3ccccc23)nn1 1875333664 GPSADVCRODDUAE-UONOGXRCSA-N 400.508 2.843 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2sccc2Cl)CC1=O 2325819816 QUOPFLHSHQDWJH-AAEUAGOBSA-N 412.920 2.816 0 50 HFAA COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 1109118 COGDINRLUGGRRW-UHFFFAOYSA-N 406.504 2.955 0 50 HFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 2875682 SEZJVZFQZMDKMR-INIZCTEOSA-N 406.504 2.798 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1cccs1 5044547 MMWGRJPPAOVCSO-IUYQLWOBSA-N 414.508 2.761 0 50 HFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)C(C)C)cc1 6764514 YVABYKAOWRYTBP-GBESFXJTSA-N 401.507 2.708 0 50 HFAA COc1cc(/C=C/CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)ccc1O 11843911 IKXQPNCEONCBJX-NSCUHMNNSA-N 413.562 2.869 0 50 HFAA COc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)c1 11874185 GRFXBBVHIYYURE-FQEVSTJZSA-N 401.507 2.663 0 50 HFAA Cc1ccc2c(c1)CN(CCC(=O)NCCc1nc(-c3cccnc3)n[nH]1)C[C@H](C)O2 12040195 NXLIPWBESDSWQO-KRWDZBQOSA-N 420.517 2.507 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2cccc(F)c2F)CC3)CC1 12056969 USSABCHFGKVQFB-QGZVFWFLSA-N 421.488 2.868 0 50 HFAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1)c1cccnc1 12209540 QZCDUSPNBWHFID-CYBMUJFWSA-N 411.886 2.705 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1F)C2 14743225 PMMMGJSVRWFKOD-INIZCTEOSA-N 402.539 2.878 0 50 HFAA Cc1cc2c(=O)n(NC(=O)[C@H](C)n3ncc(Br)c3C)c(C)nc2s1 20616390 ZGUAMVFQTUAWJB-VIFPVBQESA-N 410.297 2.674 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)NC4(C(N)=O)CCCC4)co3)cc2c1 67675683 WAINESMLUODVGO-UHFFFAOYSA-N 409.442 2.943 0 50 HFAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1F 169752513 VWLNVECSKKJNQL-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 169772681 XFPGREHFTRPNKL-OAHLLOKOSA-N 407.455 2.675 0 50 HFAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c2ccccc2oc1=O 217594205 CMTKIGCXWDKNPP-CYBMUJFWSA-N 400.383 2.916 0 50 HFAA biogenic CC[C@@H]1CN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)C[C@@]2(CCOC2)O1 225440803 SJFPNEHLGFPUCH-LRTDBIEQSA-N 404.463 2.604 0 50 HFAA COc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1 225488906 JMVGDYRQWIQGBI-DOTOQJQBSA-N 403.276 2.860 0 50 HFAA COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 225525141 ASGJDFSOIJVHSD-CYBMUJFWSA-N 414.439 2.630 0 50 HFAA C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C 241124394 JHXXUKZCBOOOLP-XDNAFOTISA-N 417.554 2.986 0 50 HFAA O=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 252484579 FZPKIBXPEHDUOM-QGZVFWFLSA-N 408.907 2.733 0 50 HFAA O=C(NCCO)c1cccc(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 473665940 QIQVARCRFXAKDU-MRXNPFEDSA-N 408.285 2.933 0 50 HFAA CCc1nc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)n[nH]1 479049151 QVTLKKHMWUIRJB-UHFFFAOYSA-N 407.402 2.698 0 50 HFAA COCCCOCCC(=O)N1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 952892167 FHCDWXMZFBCWIM-IBGZPJMESA-N 408.564 2.921 0 50 HFAA CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)c1 952988403 NYTKZJYDYBQHML-GOSISDBHSA-N 402.516 2.928 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)CC1=O 952989578 WJFYMFKETWDZLX-KRWDZBQOSA-N 406.486 2.887 0 50 HFAA CS(=O)(=O)c1cc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc(C(F)(F)F)c1 1346629243 BIVIHLDFGCWWMR-CYBMUJFWSA-N 418.393 2.878 0 50 HFAA COc1cc(CN2CCN(c3ncccc3Cl)CC2)ccc1O[C@@H](C)C(=O)O 1506424289 ZVVQJVUVUASULF-AWEZNQCLSA-N 405.882 2.918 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)C(C)(C)c3ccccc3)CC(=O)N2[C@H]1c1ccccc1 1857721738 DDHSPRJABWJDJK-ONTIZHBOSA-N 420.509 2.938 0 50 HFAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)C[C@H]21 1857737646 WRMUMRQQMDXVAC-HVOFVXBASA-N 403.866 2.575 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CN1C(=O)OC(C)(C)C 1875305606 FZXQEDXPAYWHMI-LEUOFYLZSA-N 417.506 2.940 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)C1 1875371675 IQXJNOQPGBSZTA-CABCVRRESA-N 403.910 2.673 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 2325884127 HTJKCXGQCOHLJC-UHFFFAOYSA-N 419.547 2.614 0 50 HFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cn12 2356151664 SSAICFKFHDTIFG-FQEVSTJZSA-N 421.501 2.585 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 1062335 QFNNPJLXZSIXRV-UHFFFAOYSA-N 418.471 2.607 0 50 HFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccccc2Cl)cc1 1120494 CCGBGTBRULCAEH-KRWDZBQOSA-N 406.891 2.645 0 50 HFAA COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 3549945 HHESMRSGVMWIER-UHFFFAOYSA-N 424.906 2.930 0 50 HFAA COc1ccc(CN(C(=O)C(F)(F)F)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 4573138 YNTGFPYGSFXHFT-MRXNPFEDSA-N 406.360 2.918 0 50 HFAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccco3)c(C)o2)cc1OC 5058259 GORJDXMSMOJVJE-LJAQVGFWSA-N 418.471 2.825 0 50 HFAA aggregator CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC(NCC(C)C)CC3)cc2)CC1 12097912 MTFMEJPQMGXNNP-UHFFFAOYSA-N 416.566 2.815 0 50 HFAA C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380782 PHKYUQSNJWTUMM-NSHDSACASA-N 412.414 2.529 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)N1CCOCC1 16626303 RJSUCXYFWKZHDD-UHFFFAOYSA-N 406.529 2.990 0 50 HFAA Cc1ccsc1C(=O)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 19771061 LDVMTKYGCQNCLW-RTBURBONSA-N 403.523 2.593 0 50 HFAA Cc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1 20600634 BRVXGNANAGYNEA-UHFFFAOYSA-N 418.545 2.597 0 50 HFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607598 HJBAPLABCGJBKA-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA Cc1nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)cc(N2CCOCC2)n1 67604949 JDADBHWRKKBSAJ-UHFFFAOYSA-N 404.902 2.817 0 50 HFAA COc1ccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)cc1F 169777429 KRXDKUJOSXOUEP-UHFFFAOYSA-N 412.425 2.831 0 50 HFAA CCc1nc(C2CCN(C(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)n[nH]1 170611605 IXZFHWIMUOBINX-GOSISDBHSA-N 401.486 2.667 0 50 HFAA CNC(=O)c1cccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 241930306 UHMUKDYRBGHICD-VAMGGRTRSA-N 417.550 2.940 0 50 HFAA COc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cc1Cn1cccn1 257372003 SSJCJCQZAPBCSP-OAQYLSRUSA-N 400.567 2.855 0 50 HFAA CC1(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)CCOCC1 299779771 OCJARUMUMQFPCW-NRFANRHFSA-N 420.525 2.713 0 50 HFAA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 426395147 HUGGOTNZNFDEFR-AWEZNQCLSA-N 404.478 2.687 0 50 HFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 491996509 GVPZUPJFNSAVMH-UWVAXJGDSA-N 421.497 2.955 0 50 HFAA Cc1nc2ccccc2n1CCC(=O)NCCn1nc(-c2ccccc2)ccc1=O 827823069 RXMLEFGFPNLDET-UHFFFAOYSA-N 401.470 2.775 0 50 HFAA OCCCN1CCC2(CCc3c(N4CC[C@@H](CO)C4)nc(-c4ccccc4)nc32)CC1 1857682795 NSDBNBVWJCTGGY-LJQANCHMSA-N 422.573 2.624 0 50 HFAA O=C(CCn1cccn1)NC[C@@H]1CCC[C@H](NC(=O)Cn2ccc3ccccc32)C1 1857694072 ZNJUQWUCBYNHIJ-QUCCMNQESA-N 407.518 2.719 0 50 HFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-c1nc(-c3ccccc3)no1)C2 1875247511 NEVPBRJVQJFZRK-AEFFLSMTSA-N 404.470 2.806 0 50 HFAA Cc1ccc(CN(C)C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)c(C)c1 1875350180 DRDSMXKVCWUNED-UHFFFAOYSA-N 403.442 2.977 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3cnc4cccc(C)n4c3=O)CC1)OCC2 2356140310 DIVFAAFWZBKZFL-UHFFFAOYSA-N 419.481 2.716 0 50 HFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 2356159422 ZWRMXZRYPLQWFT-WNMIZELUSA-N 401.463 2.591 0 50 HFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(OC)cc3)c(=O)c2c1C 921201 KGMUHBRJRJNAQF-UHFFFAOYSA-N 401.444 2.590 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 973872 WSVOPNBHZSWPSN-CYBMUJFWSA-N 417.259 2.847 0 50 HFAA CC1=NN(C(=O)[C@H](C)Cn2nc(C)c(Br)c2C)[C@@](O)(C(F)(F)F)C1 6526400 ODAUZDJEVGVPGZ-UHLUBPPHSA-N 411.222 2.758 0 50 HFAA O[C@H](COc1cccc(CNCCCn2cccn2)c1)CN1CCc2ccccc2C1 11817785 MZCLLPOTHSHWHF-DEOSSOPVSA-N 420.557 2.861 0 50 HFAA COc1cccc2ccc(CN3CC[C@@H](N(C)CCc4ccccn4)[C@H](O)C3)nc12 11936898 XDIRCDVIRUKCLT-FGZHOGPDSA-N 406.530 2.748 0 50 HFAA Cc1c([C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cnn1-c1ccccn1 12448453 ZOYJOUQLIKXRFC-HNNXBMFYSA-N 402.458 2.553 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@@H](C)CSC)CC2)C1=O 14744969 JBQUZMOOIDYAJW-SFHVURJKSA-N 419.591 2.726 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cc(-c3ccccc3)on2)o1 14974516 YHYNWQPXNILTAD-HXUWFJFHSA-N 422.485 2.592 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCC2CCOCC2)c1 15076431 DWTKGNSDPQNDEI-UHFFFAOYSA-N 416.518 2.631 0 50 HFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)n1 15079810 JHRURCWNJGRBPY-UHFFFAOYSA-N 407.562 2.778 0 50 HFAA CCc1noc(CN(CC)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 19144763 HEEGYBIOBQPSSY-MRXNPFEDSA-N 402.470 2.601 0 50 HFAA Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(Cc3ccoc3)CC2=O)cs1 19851704 UWCNQTQRBSGAGS-FQEVSTJZSA-N 412.515 2.869 0 50 HFAA COc1ccc2cnn(CC(=O)N3CCC(c4ccccc4)CC3)c(=O)c2c1OC 61721201 DITKLYUHUHNQMO-UHFFFAOYSA-N 407.470 2.820 0 50 HFAA COc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1 67601800 HNKIOYHDAALAEC-UHFFFAOYSA-N 406.490 2.559 0 50 HFAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cccnc2C)C3)cc1 67867204 OVOGVOXZQQSECJ-UHFFFAOYSA-N 420.469 2.735 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1nc(-c2ccccn2)cs1 71385130 SLOMNJRSBUCFBV-YCPHGPKFSA-N 403.533 2.869 0 50 HFAA CC(C)Oc1ccc2c(NC(=O)CN3CCOCC3)nn(CC(F)(F)F)c2c1 72479707 NCEZOWOIRSREGF-UHFFFAOYSA-N 400.401 2.657 0 50 HFAA Cc1cc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)ccc1Br 101352313 RVMLTSLLIFBBAM-HEHGZKQESA-N 415.353 2.828 0 50 HFAA O=C(CC1CCC2(CC1)OCCO2)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 170607596 FOHITZASTPFZBA-FQEVSTJZSA-N 400.519 2.517 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cscn2)CC1 299789428 WMNKPSAUHRDWOM-HXUWFJFHSA-N 419.522 2.596 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2cccc(Cl)c2)C1 426082044 ZGRCJKJJFVERMH-PGPOEAPYSA-N 413.949 2.727 0 50 HFAA O=C(Cn1ncc2ccccc21)NCc1csc(CNC(=O)c2ccccc2)n1 427076744 IIAXWVUKOYHLEK-UHFFFAOYSA-N 405.483 2.739 0 50 HFAA CCc1noc(C)c1C(=O)NC[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 952969340 CBSVTZWWRUOWND-HNNXBMFYSA-N 402.520 2.701 0 50 HFAA O=C(NCC1(CN2CCCC2)CC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704312000 JAVIGYYQEOSNCQ-UHFFFAOYSA-N 410.518 2.784 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3Cc4ccccc4O3)CCSCC2)o1 1776111940 YQXBFCGDUPJPLB-INIZCTEOSA-N 415.511 2.929 0 50 HFAA C=CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)C2)nn1 1875385974 GKXVMLJYWVXALQ-RHSMWYFYSA-N 413.547 2.744 0 50 HFAA C[C@H]1CCCN(C(=O)[C@H](NC(=O)c2cc(F)cc3cccnc23)c2cnn(C)c2)C1 2325709967 XHULDSDBBYZPRM-VBKZILBWSA-N 409.465 2.837 0 50 HFAA Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2C[C@H](C)c3ccccc32)c1 2325712327 ZHOCQZAFYWFADT-LPHOPBHVSA-N 414.527 2.678 0 50 HFAA CN1C(=O)[C@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCN2C1=O 2325747444 RRWCLIVSIJEJES-OAHLLOKOSA-N 415.906 2.794 0 50 HFAA O=C1OCc2cc(-c3ccc(/C=c4\sc5nc6cccnc6n5c4=O)o3)ccc21 1067450 YWCMLGRTFAIBOX-MFOYZWKCSA-N 401.403 2.782 0 50 HFAA Cc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 1172990 KNHBZFFKZKQJLC-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NC12CC3CC(CC(C3)C1)C2 4694013 JCJFUYCBRVMWBA-UHFFFAOYSA-N 413.503 2.538 0 50 HFAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 5050215 XGSJJLRRNXQIRF-NSHDSACASA-N 413.293 2.763 0 50 HFAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 6491900 VVUZMGSJFYAKJP-VZUCSPMQSA-N 416.249 2.763 0 50 HFAA CCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@]12C(=O)N(C)c1ccccc12 6624042 LLCWKWTZRHBEFP-QHCPKHFHSA-N 404.470 2.984 0 50 HFAA biogenic CC(C)CNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)nn1 12149195 DTLXHEPURBEJRN-QGZVFWFLSA-N 408.506 2.551 0 50 HFAA COc1ccc(Cn2cc(C(=O)NCCN3CCC(c4ccccc4)CC3)nn2)cc1 12708369 QPFGZBKUFBHCLY-UHFFFAOYSA-N 419.529 2.944 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1cccs1)C2 14537152 IZHPUZKVLAHTOS-KRWDZBQOSA-N 416.591 2.763 0 50 HFAA COc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc1C 19853017 RAYCSIYHBFXWGA-QFIPXVFZSA-N 400.567 2.994 0 50 HFAA COC(=O)c1c(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)sc(C)c1C 19878624 GIDXZXAABGJBOC-LLVKDONJSA-N 420.468 2.669 0 50 HFAA O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc2ccccc2c1 19972702 LBKGZJSWFLWQLE-VWLOTQADSA-N 416.477 2.937 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C[C@H](C)c1ccccc1)CC2 23159586 NDYXXQVRUPTBPU-SFHVURJKSA-N 409.530 2.755 0 50 HFAA O=C(c1ncccc1O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72170475 YRMRDAOFERASDO-GOSISDBHSA-N 400.910 2.867 0 50 HFAA O=C1N[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)CS[C@@H]1Cc1ccccc1F 170608080 DSSFQLFCSHXPLI-WOJBJXKFSA-N 420.550 2.919 0 50 HFAA CSCC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247550291 VOVMRBPPURNEIY-JOCBIADPSA-N 416.543 2.923 0 50 HFAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 252507912 WWQXYAPUQTUDAZ-OAQYLSRUSA-N 420.513 2.877 0 50 HFAA O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 252511151 ZVCAJVWHOLPELO-MRXNPFEDSA-N 422.934 2.603 0 50 HFAA CC(C)Oc1ccccc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328604098 INLMYPBJHZGCII-FQEVSTJZSA-N 412.534 2.704 0 50 HFAA CCc1noc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 426415269 FQIZGDXNQGFQMG-UHFFFAOYSA-N 401.492 2.787 0 50 HFAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 444832988 DEWCFECUOWYQSH-HNNXBMFYSA-N 417.579 3.173 0 50 HFAA COc1cc2c(cc1OC)CN(C(=O)N[C@H]1CC(=O)N(c3ccccc3F)C1)CC2 463537321 URLASKYLXALLRM-INIZCTEOSA-N 413.449 2.716 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)CC3 491565079 SBXFCNURNJHLDF-UPCLLVRISA-N 416.481 2.818 0 50 HFAA COc1cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)nc2ccccc12 824615054 NYILTKFLQAILRB-BXBLUCELSA-N 404.474 2.708 0 50 HFAA COc1cccc(N2CCC(NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)CC2)c1 824782158 MVEOOSXTWIEGAJ-WVKNIADZSA-N 408.550 2.988 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N1CCC(n2c(O)nc3ccccc32)CC1 827917038 AWHYUGSJKDPMOE-UHFFFAOYSA-N 406.486 2.800 0 50 HFAA Cc1noc(COCC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)n1 952892230 FXJZBKMQYGPRQU-UHFFFAOYSA-N 413.453 2.831 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](CC(C)C)NC(=O)c1cccs1 952973767 VEQLZIFLWTXHDZ-HNNXBMFYSA-N 414.491 2.516 0 50 HFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 2325819878 STTNQQQIOFNPPN-GDBMZVCRSA-N 404.463 2.549 0 50 HFAA C[C@@H](C(=O)Nc1ccccc1Br)N1CCN(c2cnccn2)[C@@H](C)C1 2325824715 NTZZFBHRMNSLGY-KBPBESRZSA-N 404.312 2.777 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 2325889558 WKKXGEMIHORLAX-HIFRSBDPSA-N 407.312 2.717 0 50 HFAA Cc1ccc(-n2ncc(-c3ccccc3)c2NC(=O)CN2C(=O)CN(C)C2=O)cc1 2356167828 DUAXLEOFWJUCFC-UHFFFAOYSA-N 403.442 2.680 0 50 HFAA COCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 956413 OKBUDXJDWAVESF-MRXNPFEDSA-N 422.466 2.531 0 50 HFAA CCOc1ccccc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 2852402 LJVWQBARKHLYNS-KRWDZBQOSA-N 402.472 2.712 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2cscn2)c1 11874033 IWZNUKXQFRYKDA-UHFFFAOYSA-N 403.504 2.514 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC)cc3OC)C2)nn1 11969257 OWAZMJPWTRALSO-KRWDZBQOSA-N 401.511 2.614 0 50 HFAA Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 12048389 TYFYSHNRQQFEOQ-YOEHRIQHSA-N 407.495 2.970 0 50 HFAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1 12437881 UBPJAQVYBBZQCV-UHFFFAOYSA-N 419.485 2.945 0 50 HFAA OC[C@H]1CCCN(c2nc3cc4c(cc3cc2CNCCCn2ccnc2)OCO4)C1 15067090 FKWNRJIYCXPYJO-KRWDZBQOSA-N 423.517 2.549 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C(C)=O)C1 15069552 MAOLXNYRCNQGSH-GOSISDBHSA-N 424.497 2.945 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)CCn2c(C)cc3ccccc32)n1CCOC 20537943 WBTMSUVQXTZJBI-UHFFFAOYSA-N 418.563 2.718 0 50 HFAA O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530943 LEDLBSCLNXTWLZ-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 43757614 AZCNJEFLSOQGST-OLPDFSBXSA-N 404.503 2.641 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(N2CCCC2)n1 64800371 IXATYSHTGCPBMS-UHFFFAOYSA-N 424.505 2.511 0 50 HFAA O=C(O)c1cc(-c2cccc3c2OCC3)cc(S(=O)(=O)N2CCSCC2)c1 72148193 MLXZBDDNJOWSJL-UHFFFAOYSA-N 405.497 2.724 0 50 HFAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCCN(C)C)nc2c1=O 72424187 KYVMRIIFKIZSHW-UHFFFAOYSA-N 411.481 2.560 0 50 HFAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)CCc3nnc(C4CCCC4)o3)[C@@H]2C1 253393182 CQMRFVRKFMGKJP-CVEARBPZSA-N 420.510 2.507 0 50 HFAA CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 253425696 VYBPPBIHWGQXMF-UHFFFAOYSA-N 407.474 2.529 0 50 HFAA COC(=O)C1=C(C(=O)OC)[C@H]2C(=Cc3ccc(OC)cc3)[C@H]1[C@@]13O[C@]21[C@H]1CC[C@H]3C1 257358783 WJFAYOLPMUTRGB-JXRRQDNISA-N 408.450 2.919 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1)c1ccccc1 482177346 FYMRHIZVQLVBLQ-INIZCTEOSA-N 408.458 2.931 0 50 HFAA Cc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 828290458 HYMOAIIIDCMMJD-KRWDZBQOSA-N 416.499 2.696 0 50 HFAA CN1CCN(CCOc2ccccc2CN(C)Cc2cc(-c3cccnc3)no2)CC1 952990425 YDTPLDCTNGJCHC-UHFFFAOYSA-N 421.545 2.995 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@@]2(F)CCOC2)cc1 1322689071 YRGZPJLOJULAJW-JOCHJYFZSA-N 414.433 2.535 0 50 HFAA COc1ccccc1CNC(=O)CN1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 1857531980 LXCKUYXJWVOFSY-JPYJTQIMSA-N 410.518 2.701 0 50 HFAA COC1(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CCN(c2cnccn2)CC1 1857711062 ZBWSHFYFTZNWMQ-KRWDZBQOSA-N 406.490 2.525 0 50 HFAA O=C1CN(/C=C/c2ccccc2)C(=O)N1CN1CCN(c2ccncc2Cl)CC1 1875253128 PUDRONLQKUEWAW-VQHVLOKHSA-N 411.893 2.750 0 50 HFAA Cc1nn(C)c(-n2cncn2)c1C(=O)NCCCC1(C2OCCO2)CCCCCC1 1875264533 RPCWOTYNUNUVAL-UHFFFAOYSA-N 416.526 2.533 0 50 HFAA C[C@H]1Cc2cc(Br)cc(F)c2CN1C(=O)c1cnn2c1C[C@@H](N)CC2 2325829606 NVLRTERRGPQAIJ-GWCFXTLKSA-N 407.287 2.645 0 50 HFAA N=c1[nH]cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)s1 2356134615 UUXSPSGCXKORKX-OWSLCNJRSA-N 410.543 2.640 0 50 HFAA COc1ccc(-c2cc(C)c(S(=O)(=O)NC[C@H]3COCCO3)cc2C)cc1F 2356142875 LMRGWQSEPUZSML-INIZCTEOSA-N 409.479 2.812 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 711358 PZMOJWQNIFNLAG-LJQANCHMSA-N 416.499 2.964 0 50 HFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 4027330 LCLXBNDAOUUZSN-PMACEKPBSA-N 412.486 2.838 0 50 HFAA biogenic,in-vitro COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cccs1 4832770 NJNHNSPRSPDBNY-GLNPCMGASA-N 402.522 2.531 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1OC 6667709 MSZVCDMGCWEDQZ-UHFFFAOYSA-N 410.536 2.553 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCc1cc(F)cc(C(F)(F)F)c1 11816011 UXAQXCVUIXBIKB-MRXNPFEDSA-N 401.404 2.594 0 50 HFAA Cc1c(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@H]2CCCO2)[nH]c2ccccc12 12302543 NACDOBGKUFHCHT-QGZVFWFLSA-N 416.547 2.887 0 50 HFAA COc1cccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 12389146 BLXUNEQGRCFUSH-LJQANCHMSA-N 407.514 2.829 0 50 HFAA Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCC(C(N)=O)CC3)cc12 12389496 AJKZEMQBPXXTIA-UHFFFAOYSA-N 400.475 2.545 0 50 HFAA CCOc1cc(CN2CCC[C@@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)ccc1O 15073015 UUMVKFFOEPOAEQ-GOSISDBHSA-N 415.538 2.777 0 50 HFAA COc1ccc(CNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1OC 61720011 HVIKBHGENOSVDS-UHFFFAOYSA-N 413.861 2.897 0 50 HFAA CNC(=O)C(C)(C)N(C)C(=O)c1csc2nc(-c3ccc(OC)c(F)c3)cn12 67785448 JWTMHWUUEPAHKF-UHFFFAOYSA-N 404.467 2.807 0 50 HFAA Cc1ccc(C)c(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)c1 169752519 BHUWDGUAQNISFI-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](c2ccc(F)c(F)c2)c2nnn[nH]2)c1 170595721 GYMFCZSFNISMRM-MRXNPFEDSA-N 415.400 2.953 0 50 HFAA CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1C 252452814 FZJOWZQIOQCURN-YOEHRIQHSA-N 415.490 2.503 0 50 HFAA O=C(Cn1nnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253411037 OCGCLLDNWRIVPJ-NRFANRHFSA-N 410.437 2.574 0 50 HFAA COc1ccc([C@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C(C)C)cc1 468718577 XSYLLSJKSGPIKZ-HXUWFJFHSA-N 417.531 2.770 0 50 HFAA O=C(O)CC[C@]12CN(Cc3cscn3)C[C@H]1CN(Cc1nc3ccccc3[nH]1)C2 1772804182 IKKUHEAMKZSMNC-YCRPNKLZSA-N 411.531 2.818 0 50 HFAA O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3cc(Cl)ccc3F)C[C@@]2(CO)C1 1772806589 HNYUGAQXMWHWRD-AVRDEDQJSA-N 417.912 2.760 0 50 HFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc(C)n1 1875248517 VKGSBMTZANXCEH-QHCPKHFHSA-N 416.485 2.771 0 50 HFAA CCOC(=O)C1([C@@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)OC(C)(C)C)C2)CCOCC1 1875332642 CEPCMVLZXJAXIY-ZACQAIPSSA-N 411.539 2.999 0 50 HFAA COC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C)nn1Cc1ccc(OC)c(OC)c1 2100477129 IEKBZUGWHQWVLW-MRXNPFEDSA-N 416.478 2.816 0 50 HFAA C[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2cc(F)cc3cccnc23)c2cnn(C)c2)C1 2325709966 XHULDSDBBYZPRM-JLTOFOAXSA-N 409.465 2.837 0 50 HFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N(C)Cc3nccn3Cc3ccccc3)cn12 2356166009 SNGIOBXTTFHXHO-OAQYLSRUSA-N 418.501 2.936 0 50 HFAA CCOC(=O)[C@H]1C(=O)N(C(=O)c2cncc(Br)c2)C[C@H]1c1ccccc1 849704 XGAWPSQQLXFFLT-JKSUJKDBSA-N 417.259 2.790 0 50 HFAA CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 1000593 KYWBOEXRCRMBAG-UHFFFAOYSA-N 405.676 2.782 0 50 HFAA CN1C(=O)C[C@@](CC(=O)N(C)[C@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O 12158793 PBDJAXKGTOQPCA-RDPSFJRHSA-N 406.482 2.618 0 50 HFAA Cc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)/C=C/c1cccc(Cl)c1)C2 14888318 QKVWZRIRQAMIOK-VOTSOKGWSA-N 419.934 2.691 0 50 HFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc(C)[nH]c1=O 14972778 NBOSSXGWRMPXAZ-IBGZPJMESA-N 423.557 2.651 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14982061 MHEGZMFMQUKHQQ-SFHVURJKSA-N 420.513 2.963 0 50 HFAA Cc1occc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 22852460 AJJZGFDEARQKFQ-IBGZPJMESA-N 411.502 2.739 0 50 HFAA COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccccc3)CC2)n1 23093054 KYWPCPQHYGCBLB-UHFFFAOYSA-N 405.506 2.524 0 50 HFAA CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(C(=O)N(C)C)cc4)ccc32)n1 55368877 BFPDTCLFCNIWDM-UHFFFAOYSA-N 417.473 2.655 0 50 HFAA Cc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)c1 65362423 KLGVBLODIMUHNP-KRWDZBQOSA-N 404.474 2.590 0 50 HFAA CC(C)c1ccc(C(=O)N2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)cc1 67740047 GZZDZQFCPXFKRF-HSZRJFAPSA-N 406.486 2.792 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCCO)nc2c1=O 72458524 QIUVDTDTRZKXTG-UHFFFAOYSA-N 414.893 2.895 0 50 HFAA Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)cs1 82120998 NKCHCIGXTGOBHU-LJQANCHMSA-N 413.591 2.839 0 50 HFAA O=C(O)CC[C@@]1(CCC(=O)N2CCC(Cc3ccccc3F)CC2)CCC(=O)N1 223755233 YDGBDTCOUMXAOR-QFIPXVFZSA-N 404.482 2.901 0 50 HFAA COC(=O)C1(NC(=O)Cn2c(=O)ccc3c(Br)cccc32)CCCCC1 240668202 HMXUKYLNMWJRLZ-UHFFFAOYSA-N 421.291 2.756 0 50 HFAA CCC[C@H](C(=O)OCC)S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 242197038 XHGTWSFVYCJASJ-JTNHKYCSSA-N 405.875 2.760 0 50 HFAA CN1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@H]32)C1=O 248049141 QPOIGTWOMRWABZ-FMKFIRIRSA-N 407.445 2.829 0 50 HFAA CCCC[C@@H]1CN(CCNC(=O)c2cnc3ccccn3c2=O)Cc2ccccc2O1 299766007 AKNGOHGAGNITCV-LJQANCHMSA-N 420.513 2.878 0 50 HFAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCN(C2CC2)C(=O)C1 410248664 JHJDCHSHGAGCBT-UHFFFAOYSA-N 411.462 2.582 0 50 HFAA COC[C@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952893512 MZTBOZDKXPNZMB-OXJNMPFZSA-N 403.498 2.875 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cccc3ncccc23)cc1OC 1529119867 NEUUREKCNYGUIK-FGZHOGPDSA-N 408.454 2.827 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2ncc(Cl)cn2)CC1 1857678000 IGJKEJCRRZZGIP-GOSISDBHSA-N 420.872 2.544 0 50 HFAA O=C(O)c1ccc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc1 1857708049 RMOXVWJQSOFIKN-JOCHJYFZSA-N 403.442 2.822 0 50 HFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NCc1ccccc1CN1CCC(O)CC1 1875334365 LEVOLVRHKYKYQV-UHFFFAOYSA-N 424.936 2.886 0 50 HFAA COc1ccccc1-c1ccc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1 2356141106 VQZYXCUVCJTWOU-XZOQPEGZSA-N 411.498 2.869 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cc(C)[nH]n4)C3)c3cccc(=O)n32)c1 2356142321 NLOZOVYPLAFMEZ-FGSXEWAUSA-N 418.497 2.932 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCCC3)cc1 804445 YSRCLMBCKYKCBM-MRXNPFEDSA-N 421.544 2.822 0 50 HFAA COc1ccc(CNCCc2cccc(C)n2)cc1OC[C@H](O)CN1CCCCC1 11821901 NAMGRNWVJFIZCH-JOCHJYFZSA-N 413.562 2.957 0 50 HFAA O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)[C@H]1CC(=O)N1CCCCO1 13595477 RCHPPANVJFFOBC-NRFANRHFSA-N 409.486 2.723 0 50 HFAA CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)cc1 14885851 DADVYOXMLUMJAP-FQEVSTJZSA-N 415.534 2.961 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1cccc(F)c1 15066379 MSTXFWHCQIOSJH-JOCHJYFZSA-N 405.473 2.986 0 50 HFAA O=C(NCCO)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 16183991 CDPGLPORRHXMTA-VZGYRVSQSA-N 415.287 2.885 0 50 HFAA COc1ccc(CN2CN(CCN3CCOCC3)c3nc4ccccc4n3C2)cc1 20101377 TWGGLGDJMXAION-UHFFFAOYSA-N 407.518 2.614 0 50 HFAA COCc1nn2c(ncc3c(=O)n(CCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40397829 RTLSBJRKFNVXRO-UHFFFAOYSA-N 412.833 2.986 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 253487708 OKWVSEAJCQWYPN-LYLBAIIYSA-N 423.513 2.642 0 50 HFAA Cc1cnccc1CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857718043 LNRSSMHWXOSNCT-KRWDZBQOSA-N 407.499 2.502 0 50 HFAA COc1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 787400 GWYAIDQEXHNEOY-IBGZPJMESA-N 404.532 2.737 0 50 HFAA COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)NC(C)C)c1C 2881012 JITDDEOGPQAEKU-UHFFFAOYSA-N 404.444 2.962 0 50 HFAA CC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 4177608 VWDZNPVMCHEPRD-UHFFFAOYSA-N 406.874 2.871 0 50 HFAA O=C(CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1)NCc1ccc(F)cc1 11934711 AKCHRGSZGRFXHZ-UHFFFAOYSA-N 416.497 2.507 0 50 HFAA O=C(Nc1cnn(CC(=O)N2CCC(Oc3ccccc3F)CC2)c1)c1ccco1 12055755 QMRGACDLIBUKHA-UHFFFAOYSA-N 412.421 2.938 0 50 HFAA Cc1cccn2cc(CNC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)nc12 12150854 SXQATPSDJXQOIF-UHFFFAOYSA-N 423.517 2.701 0 50 HFAA CCn1c(CNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)NC(C)(C)C 13956535 BNZTVUBYDDLCNK-GFCCVEGCSA-N 407.515 2.762 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 14741513 XTOQZNWFSOCCGW-AWEZNQCLSA-N 406.502 2.534 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)CC(C)C)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 14882088 MLHPDKQYQHCTOA-XXBNENTESA-N 420.598 2.846 0 50 HFAA COc1cccc(CNCCC2=CCCCC2)c1OC[C@@H](O)CN1CCOCC1 14966733 PVUQTFINVGHWEU-NRFANRHFSA-N 404.551 2.747 0 50 HFAA C[C@@H](CCn1cccn1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 15075293 VQZKPXXBRRZEHW-FQEVSTJZSA-N 424.593 2.550 0 50 HFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19890001 ZLDPEZBSLSJDPH-QFIPXVFZSA-N 420.513 2.531 0 50 HFAA CC1(C)C(=O)NCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 55119224 IULQDHOIDXOSIP-UHFFFAOYSA-N 404.470 2.978 0 50 HFAA Cn1nccc1C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55282107 AOYIDDZUHJFTQH-GOSISDBHSA-N 421.467 2.866 0 50 HFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4sc(C)nc4C)CC3)nn2)nc1 72434197 XNNMLFHVRZRTPI-UHFFFAOYSA-N 409.519 2.959 0 50 HFAA O=C1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CCN1 77471671 DZPBZPMXDBWMAO-UHFFFAOYSA-N 410.518 2.680 0 50 HFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1 239306260 GQFZBTNIZROOPP-PXQICXGYSA-N 415.287 2.831 0 50 HFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CCC(=O)N(C)C4)C3)c(O)n2)cc1 1506417901 CKADLWUVQGASTK-HSZRJFAPSA-N 409.486 2.937 0 50 HFAA CCc1cc(N2CCC[C@H]2c2nc(-c3ccccn3)no2)nc(N2CCOCC2)n1 1529152430 LFSIQYDXVCZYAK-KRWDZBQOSA-N 407.478 2.662 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(c2ccc(CS(C)(=O)=O)cn2)CC1 1704303912 LLMONDZDHPEPMS-UHFFFAOYSA-N 402.516 2.703 0 50 HFAA O=C(O)c1ccc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc1 1857708050 RMOXVWJQSOFIKN-QFIPXVFZSA-N 403.442 2.822 0 50 HFAA CC(C)c1nnc(N2C[C@H](C(=O)NCCOc3ccccc3Cl)CC2=O)s1 1857735486 POHPTYGYDPUDEF-GFCCVEGCSA-N 408.911 2.863 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857737561 SMDWNUZSFCZGSV-MZKRTTBSSA-N 400.438 2.544 0 50 HFAA COc1cc2nn[nH]c2cc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 1875261295 ABVDCKNWORYQDX-UHFFFAOYSA-N 401.854 2.704 0 50 HFAA O=C(O)CCc1cn(Cc2ccccc2C(=O)N2Cc3cc(F)c(F)cc3C2)nn1 1875325165 SFHYSHMTFRGHFM-UHFFFAOYSA-N 412.396 2.778 0 50 HFAA N=c1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)c2nc[nH]c2[nH]1 2356135041 NEKMYVKETXOAKR-OWSLCNJRSA-N 423.565 2.942 0 50 HFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356135258 WIQHRWKFKFYVAR-LJQANCHMSA-N 402.491 2.707 0 50 HFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)ccc1F 623366 UUJIPQJOIHXZJK-LBPRGKRZSA-N 404.179 2.621 0 50 HFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)c(OC)c2)c1 909935 WEUKNOGVFXDRJE-LJQANCHMSA-N 413.430 2.685 0 50 HFAA CCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1C)S(C)(=O)=O 2855719 ZYIGVULIGDOWPV-UHFFFAOYSA-N 404.488 2.749 0 50 HFAA Cc1ccccc1NC(=O)Cc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 2876827 NNDJZZYTLLKUEF-UHFFFAOYSA-N 420.498 2.834 0 50 HFAA CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 6746619 RDVLEYKUSXDNJA-UHFFFAOYSA-N 404.916 2.748 0 50 HFAA COc1cc(Cl)ccc1OCc1cc(C(=O)NCCCN2CCCC2=O)no1 12003263 VXZPEIZPSJRZDW-UHFFFAOYSA-N 407.854 2.658 0 50 HFAA COc1cc(CN(C)Cc2ccon2)ccc1OC[C@H](O)CN1CCCCCC1 12594265 QPDGPGPWQZNPSA-HXUWFJFHSA-N 403.523 2.931 0 50 HFAA COc1ccccc1-n1cc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3C)cn1 14531650 UERRNOAWWLYDBN-UHFFFAOYSA-N 411.506 2.518 0 50 HFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCN(Cc2ccccn2)CC1 19340753 ZZQHFYUSUMPRDR-UHFFFAOYSA-N 414.412 2.885 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1 20494398 RBRSSJNVUQAOGH-VBSWXYJSSA-N 423.557 2.914 0 50 HFAA COC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccoc3)c(C(=O)OC)sc2n1 39413091 KXNCSZYEBIFIKJ-UHFFFAOYSA-N 417.443 2.533 0 50 HFAA O=C([C@@H]1COCCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67727381 SLDXPPUDBBKHLC-KRWDZBQOSA-N 412.467 2.805 0 50 HFAA CC(C)Nc1cc(N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)ncn1 67743338 BZOPSSURGOOANA-HSZRJFAPSA-N 422.533 2.724 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)on1 91625091 UINNSKIWQCPRMD-GOSISDBHSA-N 403.523 2.897 0 50 HFAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138974430 RLWVJHFTCFYGGN-QHSBEEBCSA-N 420.874 2.984 0 50 HFAA O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 253395826 APOCTQBTQNWTOI-GASWSPIPSA-N 418.541 2.887 0 50 HFAA biogenic COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(OC)cc4OC)c3CO2)cc1 263617933 QMKRAOPHMDDGNC-FQEVSTJZSA-N 424.457 2.505 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)Cc4ccsc4)C[C@@]3(CN(C)C)C2)c(C)o1 1772707923 YHLAPBNDZPLAPG-GCJKJVERSA-N 415.559 2.663 0 50 HFAA CNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(-c2ccc(C(F)(F)F)cc2)n1 1857670663 DKCZPCSZXXETQJ-UHFFFAOYSA-N 404.396 2.853 0 50 HFAA CCc1noc(C)c1C(=O)N[C@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 1857696271 UNLIEXOKNPCYJB-ZBFHGGJFSA-N 413.474 2.993 0 50 HFAA NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 1875255720 RXYUMOFFDQWKPY-OAQYLSRUSA-N 420.513 2.592 0 50 HFAA CCO[C@H]1C[C@@H](NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2 1875330529 SDRWBSOLNQHGGT-KGLIPLIRSA-N 401.429 2.942 0 50 HFAA CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2cc(Br)ccc21 1157367 WTEZBIPUKFOTQU-IBGZPJMESA-N 418.243 2.657 0 50 HFAA O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 11839008 RPQZUTVTFAYBDP-KKSFZXQISA-N 400.500 2.676 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N[C@H]2CCc3ccccc32)CC1 12026882 XTRDRELXJUQGJI-FQEVSTJZSA-N 414.527 2.907 0 50 HFAA O=C([C@H]1CCCO1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 12217398 BAKRMTCRRPUJBW-XMMPIXPASA-N 421.541 2.909 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 12708144 FFEHBRFWHDSTNS-KRWDZBQOSA-N 410.470 2.635 0 50 HFAA O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCN1CCOCC1 19741660 IRKXUTZZNJTZNM-RUZDIDTESA-N 423.557 2.650 0 50 HFAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCCc2cnccn2)cc1 23431491 LKRGCZUFGWVYQM-QHCPKHFHSA-N 406.530 2.681 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)ccn1 77425000 MZWVGZIJXAHJIX-UEOMBKFZSA-N 417.509 2.952 0 50 HFAA COCCN1CCC(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 95517271 VDEZJYWTIBTYAM-HSZRJFAPSA-N 402.535 2.945 0 50 HFAA CNc1[nH]c(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2ncc(Cl)c1-2 253387881 HUEKBQXFNHWTQQ-UHFFFAOYSA-N 416.869 2.829 0 50 HFAA Cc1cc(=NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159230 NRZFJAUNXGCXHZ-VQIMIIECSA-N 403.548 2.914 0 50 HFAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)nc1 462632798 SNNNVAWCUARIKL-INIZCTEOSA-N 403.504 2.915 0 50 HFAA Cc1sc(C(N)=O)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 769276845 ZMCODCJHHAFIRB-UHFFFAOYSA-N 413.908 2.601 0 50 HFAA CN(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)cc1Cl 952985986 VHMBRXAMKXAWMN-IBGZPJMESA-N 400.910 2.735 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)CC1 1776002582 LZRVFJGAMLOBLZ-INIZCTEOSA-N 423.307 2.594 0 50 HFAA CCc1nnc(N2C[C@@H](C(=O)N(C)CCOc3ccccc3CC)CC2=O)s1 1857731243 DMEIOPUATDISLN-HNNXBMFYSA-N 402.520 2.553 0 50 HFAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875240804 FHZFBYQUOSPYNU-NFBKMPQASA-N 411.454 2.716 0 50 HFAA Cc1cc(S(=O)(=O)N[C@H](C(=O)O)c2cccc(O)c2)ccc1Br 2325743215 KKNKVLOEVCWMNU-AWEZNQCLSA-N 400.250 2.567 0 50 HFAA CCn1cc(S(=O)(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)cn1 2804075 LULBUICJUFRIKY-UHFFFAOYSA-N 401.279 2.650 0 50 HFAA COc1ccc(NC(=O)c2ccccc2NC(=S)NC(=O)c2ccn(C)n2)cc1 2806786 WYBPCYPEPIXQHI-UHFFFAOYSA-N 409.471 2.808 0 50 HFAA CCOC(=O)N1CCN(C(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)CC1 4567340 KNUSMJYHWQXBCI-FYWRMAATSA-N 419.528 2.881 0 50 HFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 6227965 QWRSJVIKXFRRSE-YRNVUSSQSA-N 417.224 2.891 0 50 HFAA Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)c2ccc(F)cc2)C1 8588962 XCEXJUFPRAYAGF-SFHVURJKSA-N 419.522 2.844 0 50 HFAA O=C1CC[C@@H](C(=O)NC[C@@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)N1 11786996 MCHYGMWZONEDFR-IRXDYDNUSA-N 420.387 2.951 0 50 HFAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 11816750 KMSSOSYJDWBMHT-UHFFFAOYSA-N 406.408 2.699 0 50 HFAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(CC(C)C)CC2 14740888 LFDFZVZVKXKGDD-UHFFFAOYSA-N 417.550 2.987 0 50 HFAA CN1CCN(C(=O)c2cc(-c3cc4ccccc4s3)cc(-n3cnnn3)c2)CC1 15002381 WYWMLQBZRQDRPY-UHFFFAOYSA-N 404.499 2.932 0 50 HFAA COc1ccc(-n2c(SCC(N)=O)nc3ccc(Br)cc3c2=O)cc1 16448859 HHYUWBOMMVMKFD-UHFFFAOYSA-N 420.288 2.734 0 50 HFAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CCc2ccncc2)CC1 16523581 CLIFPJCTPGDPKC-UHFFFAOYSA-N 400.331 2.937 0 50 HFAA Cc1ccc2c(c1)cc(CN1CCN(CCO)CC1)c(=O)n2Cc1cccc(F)c1 22911530 YDTAOOXFKJYGNG-UHFFFAOYSA-N 409.505 2.607 0 50 HFAA O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(F)c1 100180326 DZDMTDNGEVRJIH-QGZVFWFLSA-N 410.474 2.890 0 50 HFAA Cc1ccc(C)c(OCc2nnc(SCc3nnc(S(C)(=O)=O)s3)o2)c1 170605539 PYGAYWGQWCLSBK-UHFFFAOYSA-N 412.518 2.813 0 50 HFAA Cc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 299763851 FPPKRPBKAXRWFZ-NRFANRHFSA-N 402.466 2.998 0 50 HFAA O=c1cc(N2CCC2)cnn1[C@@H]1CCCN(Cc2cc(O)ccc2Br)C1 328606911 TXSUHVHAULXOBH-OAHLLOKOSA-N 419.323 2.759 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408516991 ICHGRHUBHYANMX-XUXIUFHCSA-N 412.412 2.595 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N1CCC(c2nnc3n2CCCCC3)CC1 827916117 CIMZKGFXTQOPNM-UHFFFAOYSA-N 409.534 2.605 0 50 HFAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 952874039 SVQOOGPFHRWYHV-UHFFFAOYSA-N 403.504 2.765 0 50 HFAA Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)CC2=O)cc1 1230451213 LPTKAULJWAVSBF-IBGZPJMESA-N 424.476 2.688 0 50 HFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 1506401783 FZRLSYYUPQNQEE-QGZVFWFLSA-N 419.485 2.786 0 50 HFAA COCCc1noc([C@@H]2CCCN(S(=O)(=O)c3cc(C)c(F)cc3Cl)C2)n1 1506413215 IPLLNHAODOFJNE-GFCCVEGCSA-N 417.890 2.928 0 50 HFAA Cc1ncnc(C)c1C(=O)N1CCCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 1529111470 YWIVTNWKGARWQV-UHFFFAOYSA-N 404.417 2.763 0 50 HFAA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)CC1 1616070769 XTFNINHAAWSKHS-UNMCSNQZSA-N 407.514 2.616 0 50 HFAA C[C@@H](C(=O)N(C)c1ccccc1)N1C[C@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 1857528823 RYJSAVWNABQCHJ-MFEFFIJZSA-N 418.501 2.932 0 50 HFAA CN1CCC(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccncc2)(c2ccccc2)CC1 1857687516 VHJPMHGJFBSFRG-GOTSBHOMSA-N 404.558 2.920 0 50 HFAA O=C([C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCN(CCCCO)CC1 1857700686 JXLMSRHYOPIVNA-INIZCTEOSA-N 420.941 2.614 0 50 HFAA CSCCC(=O)NC[C@H]1[C@H]2CN(CC(C)(C)N3CCCCC3)C[C@]23CC[C@H]1O3 1857716484 ACCHFKXNYSYAFW-JZJXAQOMSA-N 409.640 2.600 0 50 HFAA C[C@H]1CN(C(=O)Nc2cccc3c2CN(C)C3=O)CCN1C[C@@H](O)c1ccccc1 1875309148 UMSLDJYRZZQPGI-HRAATJIYSA-N 408.502 2.544 0 50 HFAA Cc1cc(C)c2c(NC(=O)C[C@H]3COc4ccc(C(=O)N(C)C)cc4N3C)n[nH]c2n1 2100557671 YSPNNVXRCCZAKX-HNNXBMFYSA-N 422.489 2.503 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@H]4CCCO4)C3)[C@@H]3CCCC(=O)N23)c1 2356153684 QOGPTGDXPVUITI-MMGCJVFTSA-N 412.530 2.645 0 50 HFAA Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 878962 IWMOEFKICNYEPK-UHFFFAOYSA-N 421.950 2.763 0 50 HFAA COc1ccc(CN(C)Cc2ccn[nH]2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12447516 VIRBOKCCHCJWGA-QFIPXVFZSA-N 424.545 2.922 0 50 HFAA CCN(CC)C(=O)C1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 12713099 DZKDHNZZNJRWFE-UHFFFAOYSA-N 403.914 2.700 0 50 HFAA CC(C)C[C@H]1C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2C(=O)N1C 14749542 VIQYBYPNINRAHM-RBUKOAKNSA-N 412.559 2.710 0 50 HFAA CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccco1)CC2 14958453 QUDITHMXPZQSRL-LJQANCHMSA-N 408.506 2.842 0 50 HFAA Cc1n[nH]c(C)c1CN(C)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 14963435 MQMPPWIECMIPLB-UHFFFAOYSA-N 413.909 2.930 0 50 HFAA COc1ccc(F)c(C[C@]2(CCC(=O)N[C@@H](C)Cc3ccccn3)CCC(=O)N2)c1 14997063 VVMABUIYHCFNAQ-HJPURHCSSA-N 413.493 2.948 0 50 HFAA CSc1n[nH]c(-n2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)n1 19821363 JRMGPXISJZUIOM-UHFFFAOYSA-N 407.434 2.988 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CC1 23340332 AYHKSDSHMGMGOC-JOCHJYFZSA-N 409.505 2.955 0 50 HFAA Cc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55385433 PZONIPUXJIVZSO-IBGZPJMESA-N 403.885 2.794 0 50 HFAA CSCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2C1 77541157 GDIDMEMPKCNMFT-OAHLLOKOSA-N 404.557 2.974 0 50 HFAA COC(=O)[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1c(C)cccc1C 170597953 VOVJFKARAKOUSG-HXUWFJFHSA-N 409.417 2.633 0 50 HFAA COC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2nc(C)c3cc4c(cc3n2)CCC4)CC1 299792468 FCERZKATSYIAHO-NRFANRHFSA-N 422.529 2.807 0 50 HFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(C(=O)N2CCOCC2)cc1 828153340 YGZDMZSUUMERSU-LJQANCHMSA-N 413.543 2.615 0 50 HFAA CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1C(=O)O 1198767161 VHPILLMGOCPJTG-UHFFFAOYSA-N 402.516 2.918 0 50 HFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1506403482 BTXNUVMAYTUASC-LJQANCHMSA-N 404.898 2.683 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCC(Cn2cccn2)CC1 1857701489 QZDQRXMUEWTLEX-GOSISDBHSA-N 408.506 2.965 0 50 HFAA COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1155165 KAPAHEHTTSEGHO-OAHLLOKOSA-N 413.904 2.855 0 50 HFAA OCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 2192131 WRNGFBKPKLHGOS-UHFFFAOYSA-N 413.278 2.859 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1 4854157 YKFIFRDOVCABKT-GOSISDBHSA-N 402.516 2.802 0 50 HFAA CC[C@@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)n1c(=O)[nH]c2ccccc2c1=O 8974958 IFLKKRMUFRIQPK-FQEVSTJZSA-N 420.513 2.607 0 50 HFAA C[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)Cc2c(F)cccc2F)CC3)C[C@@H](C)O1 11839816 XKCABTLAQRDWJH-HLLBOEOZSA-N 406.473 2.772 0 50 HFAA Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)[C@H]3CCC(=O)N3)nc12 12039774 JOUSARFHLCXEFZ-QGZVFWFLSA-N 407.449 2.584 0 50 HFAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)on3)CC2)cc1 12056963 XKXNWXVRJTVKOC-UHFFFAOYSA-N 409.446 2.918 0 50 HFAA CS(=O)(=O)c1ncc(CN2CCC(Cc3ccccc3)CC2)n1C[C@H]1CCCO1 12438570 QUFXXJFEISVNFZ-OAQYLSRUSA-N 417.575 2.920 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C2CCN(CCCn3cccn3)CC2)CC1 12596206 FOMFHWDMVSAGLI-UHFFFAOYSA-N 423.605 2.809 0 50 HFAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2nncn2C)CC1 12763344 WRDLJYHITWKTKM-UHFFFAOYSA-N 415.563 2.585 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCCc1ccc(F)cc1)C3 14878822 FHVLCCHPIDTUHA-KRWDZBQOSA-N 414.550 2.848 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@H](C(N)=O)C(C)C)c1 14978188 FKDABUTVPKUGFX-NRFANRHFSA-N 417.550 2.721 0 50 HFAA O=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1 15073044 RFOMWFGFOYJYEB-UHFFFAOYSA-N 405.502 2.504 0 50 HFAA COCCCn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)C1CCCC1 55575360 WHFBNECVRVMNCP-GOSISDBHSA-N 413.584 2.637 0 50 HFAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)Cc3c[nH]c(=O)[nH]c3=O)cc12 77353841 CGGNSEJCJBYZIV-UHFFFAOYSA-N 406.417 2.518 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cccnc3)[C@@H]4C2=O)cc1C 77406735 KTJSYWRTGVXXQJ-JCUDRXCFSA-N 403.482 2.643 0 50 HFAA O=C(c1cccnc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777530 WTJLVCFKEBGWOX-UHFFFAOYSA-N 401.430 2.867 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 245245191 BLCQWDZVRSEUHR-ONZODILHSA-N 424.840 2.994 0 50 HFAA COC(=O)c1cnc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c(Cl)c1 328593924 ANXJLOIGCXPCKA-UHFFFAOYSA-N 424.841 2.956 0 50 HFAA CNc1ccc(Cl)cc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 824083086 PPSLGTMBRPJILJ-FCRSDJTPSA-N 410.949 2.679 0 50 HFAA CNc1cc(-n2nc(C)cc2NC(=O)c2cc(-c3cnn(C)c3)ccc2F)ncn1 1436079544 WUBPSUHNVUPPMQ-UHFFFAOYSA-N 406.425 2.804 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(-c2cccs2)nn1C 1529126711 NGVVMODHRNCGOT-ZDUSSCGKSA-N 419.532 2.574 0 50 HFAA CNC(=O)CC[C@H]1CCCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)C1 1772704866 UGYYYIRCHFUCFR-GFCCVEGCSA-N 405.426 2.930 0 50 HFAA Cc1noc(C)c1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1c[nH]nc1-c1ccc(F)cc1 1857685198 QGDYSWNECDHPOZ-ROUUACIJSA-N 423.448 2.836 0 50 HFAA O=C(O)[C@H]1CN(C(=O)c2cccc(F)c2)CC12CCN(Cc1nccs1)CC2 1857694140 BVSYUJJOSFKQIE-MRXNPFEDSA-N 403.479 2.721 0 50 HFAA C=CC(=O)N1CCC(C(=O)N(CCC)C2CCN(C(=O)c3ccccc3)CC2)CC1 1875365702 QBONUPHURBULHH-UHFFFAOYSA-N 411.546 2.954 0 50 HFAA CCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(Cc2ccccc2)n1 2100482587 KHYGVBMQGZHSQG-YADHBBJMSA-N 422.485 2.835 0 50 HFAA O=C(O)[C@H](NCc1cnc(-c2cncnc2)nc1)c1ccccc1Br 2325851829 LDQITXXFJUOGBS-OAHLLOKOSA-N 400.236 2.612 0 50 HFAA N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2CC1CCCCC1 2356161245 MJWMZXGNKWNLFF-RNTGTLJKSA-N 413.610 2.951 0 50 HFAA O=C(O)CCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 2333923 KUMJNYJUSKZNIK-FOWTUZBSSA-N 417.259 2.811 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)CC3CC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 11972828 UJIUQBOIGGQTQM-QHCPKHFHSA-N 412.534 2.754 0 50 HFAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2 12149197 FCWLLNNJKNUNSH-QGZVFWFLSA-N 403.552 2.580 0 50 HFAA O=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NCc1ccc(F)cc1 12718896 FCGOIGNCKFALGC-UHFFFAOYSA-N 410.433 2.826 0 50 HFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3snnc3C)C2)c1 14952811 VWUHTQVQQFMCNL-HNNXBMFYSA-N 402.520 2.804 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 16650510 LOIMEOWKSWTSSV-UHFFFAOYSA-N 406.504 2.622 0 50 HFAA Cc1cc(Cl)c2oc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)c2c1 20450946 SBACFTPLMMEKRO-CQSZACIVSA-N 410.923 2.648 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 67604777 QGOCJVMSJLQCDD-UHFFFAOYSA-N 417.531 2.808 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)NCc2ccccc2)CC1 95527729 HWMBCWHHUXCALQ-OAQYLSRUSA-N 400.567 2.989 0 50 HFAA C[C@@H]1CCO[C@H]2Cn3cc(Br)c(=O)c(OCc4ccccc4)c3C(=O)N21 118575126 XKXSSMSOAWHOLM-DOMZBBRYSA-N 419.275 2.781 0 50 HFAA CCC[C@@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 299770326 PXUXFRYUUPCYCK-OFNKIYASSA-N 415.534 2.874 0 50 HFAA COc1ccccc1-c1nc2cc(C(=O)N3CCC[C@H](O)C3)cc(NC(C)=O)c2n1C 299774858 GRTXSKLPJBCYJP-INIZCTEOSA-N 422.485 2.804 0 50 HFAA C[C@H](C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)c1ccc(Cl)s1 328592184 KBKFUJRACYFGPW-QMMMGPOBSA-N 405.954 2.918 0 50 HFAA Cc1cc2c(N3CCC[C@@H]3C(=O)NC[C@]3(O)CCc4ccccc43)ncnc2s1 752549260 VXEYOADJENUSCP-XMSQKQJNSA-N 408.527 2.919 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)NCCc3nc(C)c4c(n3)CCC4)CC2)cc1 825168343 CFOPIVVQIKATPW-UHFFFAOYSA-N 406.530 2.793 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@H]2CCN(c3ccccc3C)C2)S(C)(=O)=O)cc1 827825750 JCRHWLVQQLLXRN-LJQANCHMSA-N 415.559 2.712 0 50 HFAA O=C1N[C@H](CC(=O)N2CCC(c3nc4ccccc4o3)CC2)C(=O)Nc2ccccc21 888090795 VHINRRTUAOVBBF-GOSISDBHSA-N 418.453 2.675 0 50 HFAA C[C@H](OC(=O)c1nnc(O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 952845535 QOQMOFABRWMSNJ-LBPRGKRZSA-N 420.425 2.645 0 50 HFAA COc1ccccc1-c1ccnc(C2CCN(C(=O)c3cccc(=O)n3C)CC2)n1 952894151 QBFUUPHXIRYFFS-UHFFFAOYSA-N 404.470 2.871 0 50 HFAA Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)s1 952973214 GGDPABPGTZGZAG-AWEZNQCLSA-N 401.536 2.644 0 50 HFAA CCS(=O)(=O)N1C[C@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988548 VBNNXPSSJVPESL-RISCZKNCSA-N 400.426 2.509 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H](O)c3cccc(O)c3)CCCCC2)o1 1857526286 UKKYJWSMDZSQNF-GOSISDBHSA-N 401.459 2.801 0 50 HFAA CC(C)c1cc(CN2CCOC3(CCN(C(=O)c4ccco4)CC3)CC2=O)no1 1857695945 FUVSXFAWWVLEIG-UHFFFAOYSA-N 401.463 2.815 0 50 HFAA CC[C@]1(C(=O)N2CCC3(CC2)CN(C)CCO3)C[C@H]2CC[C@@H]1N2CCC(F)(F)F 1857712246 NLDSJGLMBUJHDE-UWVAXJGDSA-N 417.516 2.895 0 50 HFAA CCc1ccccc1C(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1857714202 VKHHYIYVYMFHDE-VCOUNFBDSA-N 406.482 2.836 0 50 HFAA COCC1(NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCCC1 1875301682 PHDHTIYCMPNCHF-OAHLLOKOSA-N 415.412 2.949 0 50 HFAA O=C(N[C@@H]1Cc2ccc(Br)cc2NC1=O)c1ccc(-c2cn[nH]c2)cn1 2325840101 OZDDNGATEHRZSE-MRXNPFEDSA-N 412.247 2.527 0 50 HFAA N[C@H](Cc1ccnc(O)c1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 2325878669 XZTKFFKJXZRKHG-LJQANCHMSA-N 405.458 2.617 0 50 HFAA Cc1nccn1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356141018 UYGCKFBCKZVGQK-URVUXULASA-N 402.498 2.783 0 50 HFAA O=C(c1cnc(O)[nH]1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356142861 KYQHVBQMPIJGJD-NEPXVJNWSA-N 400.523 2.927 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCc3csc(=N)[nH]3)CC1)OCC2 2356146759 UGSZXEZCINCPCC-UHFFFAOYSA-N 417.531 2.596 0 50 HFAA CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O 3830269 XPCFTKFZXHTYIP-VQTJNVASSA-N 424.497 2.573 0 50 HFAA biogenic,in-vitro Cc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)c1scc3c1CCCC3)C2 11790263 QUSWCVQBTIYYMT-UHFFFAOYSA-N 419.572 2.578 0 50 HFAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CCN2CCCO2)C1 11879702 HFFXPCATYJOJOJ-QFIPXVFZSA-N 404.507 2.655 0 50 HFAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 12386616 XUJIETYOGRJKRI-MRXNPFEDSA-N 414.524 2.585 0 50 HFAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 14537932 DSMAADPDVANKKA-KRWDZBQOSA-N 408.502 2.941 0 50 HFAA COCCCNC(=O)[C@@H]1C[C@H](COc2cccnc2)CN(CCc2ccccc2)C1 14744169 SXARNGRSBAQANR-FCHUYYIVSA-N 411.546 2.794 0 50 HFAA COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@@H](O)CN1CCSCC1 14974654 BZVRHOZBWHQLSM-FQEVSTJZSA-N 420.550 2.913 0 50 HFAA COCCOC(=O)c1sc2nc([C@H]3COc4ccccc4O3)[nH]c(=O)c2c1C 170616535 OMVRHWMZYLWXKC-CYBMUJFWSA-N 402.428 2.609 0 50 HFAA COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)n2ccccc2nc1=O 205967708 MPNQCNRVXKJHNF-MRXNPFEDSA-N 418.409 2.677 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1ccccc1Cl 211256405 NQANZBLTCWOFHZ-FPOVZHCZSA-N 419.928 2.974 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H](CC)CN1CC(C)(C)O 230288693 NLYBRWCUVSFPIP-LSDHHAIUSA-N 410.946 2.917 0 50 HFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCC(=O)N1CCc2sccc2C1 241409055 NEGAHVMDWFAKBK-UAGQMJEPSA-N 404.532 2.746 0 50 HFAA COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1OC 263618077 RDFHTYKKJVGPNU-UHFFFAOYSA-N 421.501 2.588 0 50 HFAA COC(=O)c1cc(CNC(=O)CCc2cccnc2)cc(NC(=O)c2ccoc2)c1 299798805 OOHISMYVAPIYDC-UHFFFAOYSA-N 407.426 2.963 0 50 HFAA CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)OCc1ccccc1 575441458 OFMYFALEFXJINF-UHFFFAOYSA-N 411.495 2.694 0 50 HFAA CS(=O)(=O)CCOc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1 750706233 TYMLMPDDSZZCEN-UHFFFAOYSA-N 401.488 2.956 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccc(-c2nccs2)c1 886025664 RFHXLVXKWLJPRX-QGZVFWFLSA-N 406.467 2.567 0 50 HFAA COc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c(O)n2)cc1 1704298415 JLIYFUXKMCKFAM-UTKZUKDTSA-N 405.454 2.845 0 50 HFAA C[C@@H](NC(=O)NCc1ccc2c(c1)CCS2(=O)=O)c1cnn(Cc2ccccc2)c1 1875253318 QXIJLONUZPEJJC-MRXNPFEDSA-N 424.526 2.822 0 50 HFAA O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1 1073009 BJUPBHREYLJGJC-UHFFFAOYSA-N 402.491 2.811 0 50 HFAA CC[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ncccn2)CC1 4748949 YQTULJRKOAHBSA-MRXNPFEDSA-N 405.296 2.745 0 50 HFAA CCn1c(=O)n(CC)c2cc(NC(=O)CN3C(=O)COc4ccc(C)cc43)ccc21 10682192 HSESVTBKLGFGCK-UHFFFAOYSA-N 408.458 2.515 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 11663155 XUFMRRHUKGMJQO-MRXNPFEDSA-N 410.396 2.903 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 12444775 GAPCUMVKCCCBJZ-KRWDZBQOSA-N 408.502 2.979 0 50 HFAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1 12594448 IUFMCERGRRFTPV-QHCPKHFHSA-N 417.509 2.855 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCCO)c1 14981541 ZMIWTDOUMLTORC-SFHVURJKSA-N 418.534 2.852 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C 15019445 IFRLRRPRKMXMFX-UHFFFAOYSA-N 403.552 2.858 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccsc3)cc2)CC1 15062691 SLKPUIUKKQWSPC-FQEVSTJZSA-N 418.559 2.663 0 50 HFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607640 CKRFNPQXXNWJLH-UHFFFAOYSA-N 409.334 2.731 0 50 HFAA O=C(CCCn1cncn1)NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 20995876 UMYXNFBWROWXDI-QFIPXVFZSA-N 423.492 2.950 0 50 HFAA CC(C)(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82107342 SWWGIDVNWLRVDL-LJQANCHMSA-N 400.567 2.837 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3cnc(-c4ccncc4)nc3)[C@H](C)C2=O)c1 95363754 AXSJGKSGAIOSRV-QGZVFWFLSA-N 401.470 2.720 0 50 HFAA COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)/C=C/c2ccc(NC(C)=O)cc2)nn1 225857064 VRDQGXWXUNOEKQ-FCJQBXHQSA-N 412.446 2.763 0 50 HFAA COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)Cn2ccnc2)C[C@@H]2CCCC[C@H]21 248014254 SHTLINSDPSNVNV-BWPNAZKDSA-N 410.518 2.870 0 50 HFAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C(C)(C)C1 252670365 KINFFZRRZXVGPW-MXEMCNAFSA-N 420.642 2.772 0 50 HFAA Cc1ccc(NC2(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CCCCC2)cc1 826829142 VBXXSOABCQMHDX-IBGZPJMESA-N 400.567 2.813 0 50 HFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1C(=O)N(C)C 952974840 KGNUXDZFOBBJJJ-LBPRGKRZSA-N 417.412 2.667 0 50 HFAA C=CC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 1449199867 VWOPGGMYFGVCHR-UHFFFAOYSA-N 400.866 2.827 0 50 HFAA Cc1ccn2c(NC(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)nnc2n1 1529109479 ADGPQQIABBZGEI-UHFFFAOYSA-N 408.369 2.654 0 50 HFAA O=C(c1ccccc1Cl)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857740404 HVTIMRALGYHWJU-PMACEKPBSA-N 401.894 2.650 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn12 1940195359 OGGHXIBOTKGNGN-UHFFFAOYSA-N 404.449 2.836 0 50 HFAA CN(C)c1nc(O)cc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)n1 2325744373 BGSCUSWJHQXTHN-UHFFFAOYSA-N 418.453 2.869 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4c[nH]nc4C)C3)c3cccc(=O)n32)c1 2356139612 GHFJPBCHNFACCO-FGSXEWAUSA-N 418.497 2.932 0 50 HFAA C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3233972 ZGPJIOACJZQOCU-HNNXBMFYSA-N 417.556 2.856 0 50 HFAA COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 4820389 GBVBRKKWKFEIER-QGZVFWFLSA-N 420.506 2.594 0 50 HFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 4828641 KXYHTUQEOHVVTR-UHFFFAOYSA-N 406.504 2.581 0 50 HFAA Cc1cc(Cl)c(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC(N)=O 5013870 HXEHSFMOIMQABS-UHFFFAOYSA-N 412.939 2.760 0 50 HFAA CCOC(=O)c1cnc2cc(-c3ccc(I)cc3)nn2c1O 5444409 BBNDBTMXEDTHSV-UHFFFAOYSA-N 409.183 2.883 0 50 HFAA COc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697549 SSMDHGSYZCICGC-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2 11976031 RNIVPUQAMPQSDG-OAQYLSRUSA-N 404.518 2.859 0 50 HFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)cc2)CC3)cc1 14887394 PAUOKEUYUKGDBZ-UHFFFAOYSA-N 419.529 2.626 0 50 HFAA CCOC(=O)CCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(C)(C)C)c1=O 14998178 NNKZDFAMUGTIDM-UHFFFAOYSA-N 419.522 2.565 0 50 HFAA CCOC(=O)N1CCC(NC2CCN(c3ccc(C(=O)N(C)C)cc3)CC2)CC1 15004308 QEFWGMDWNCZLBJ-UHFFFAOYSA-N 402.539 2.568 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1 20451971 KUVDLXPMZVONHX-KRWDZBQOSA-N 423.517 2.748 0 50 HFAA CC(C)C(=O)NCCc1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 20782799 BREFTTKNFWEKSA-UHFFFAOYSA-N 409.456 2.670 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(OC)c1OC 20915794 TWHJOGFASHVQKT-FQEVSTJZSA-N 418.509 2.920 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1nc(-c2ccccn2)cs1 71385134 SLOMNJRSBUCFBV-IJEWVQPXSA-N 403.533 2.869 0 50 HFAA CN(CCc1ccccc1)CCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O 72422124 CFGINOSGGXPPTC-NRFANRHFSA-N 401.551 2.627 0 50 HFAA O=C(NCC1(O)CCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82121419 LIUHDRGKAIEBMS-NRFANRHFSA-N 414.594 2.569 0 50 HFAA COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)cc1C 104304747 UGMFEBWAPWNEKQ-HXUWFJFHSA-N 408.546 2.959 0 50 HFAA Cc1cccc(CN2CCN(C3CCN(CCc4ccccc4)CC3)C[C@H]2CCO)n1 104525250 XSKQDBHUHWBNDZ-AREMUKBSSA-N 422.617 2.966 0 50 HFAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@H]2CN2CCc3ccccc32)cc1 241644202 PPCWEIHRWDYWNC-UGKGYDQZSA-N 400.544 2.651 0 50 HFAA C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 252512336 PJYWETIMRSHHQY-FBVAEJEDSA-N 418.563 2.576 0 50 HFAA COc1cccc(SCC(=O)Nc2c(N(C)C)cccc2S(=O)(=O)N(C)C)c1 253433538 YBIGICTWRVWXMJ-UHFFFAOYSA-N 423.560 2.742 0 50 HFAA CCC[C@@H]1CCc2sc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)cc2C1 426526320 WYAZTMKBCZTWHD-CQSZACIVSA-N 402.564 2.675 0 50 HFAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cnn(C)c3Cc3ccccc3)n2)c1 428355047 NKCFKWVBEKWNPF-HNNXBMFYSA-N 401.474 2.990 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 952972625 KOCYEMHLLRDZRG-MRXNPFEDSA-N 411.510 2.661 0 50 HFAA COc1ccc([C@@H](C(=O)O)N2CCN(c3ncnc4ccccc34)CC2)cc1OC 1529134209 PKAXNNSJEQTXPN-FQEVSTJZSA-N 408.458 2.595 0 50 HFAA CS(=O)(=O)c1ccc(C2(C(=O)Nc3cnn4c3NCCC4)CCCCC2)cc1 1529173566 LZRFLWVWXGLGII-UHFFFAOYSA-N 402.520 2.943 0 50 HFAA CCOC(=O)c1coc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857673465 STYQFFZSKBQQAL-QFIPXVFZSA-N 421.457 2.893 0 50 HFAA Cc1ncn(C)c1-c1nc(COc2cccc(Cl)c2)nn1C[C@@H]1COCCO1 1857710325 QRTNWIAQZYDNKK-MRXNPFEDSA-N 403.870 2.635 0 50 HFAA Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4c(F)cccc4F)no3)C2=O)n(C)n1 1875320238 MJVIHQIJAZZXNQ-AWEZNQCLSA-N 415.400 2.587 0 50 HFAA O=C1C[C@H](Cc2ccc(C(=O)Nc3ccc4nc(O)n(C5CC5)c4c3)cc2)C(=O)N1 1875328227 GWYBBUFGOLDUPK-AWEZNQCLSA-N 404.426 2.534 0 50 HFAA CCc1nn(C)c(Cl)c1CN1CCCCNC(=O)C[C@H]2CCCCN2CCC1 2100533459 PWSYPDLTNSUDTQ-QGZVFWFLSA-N 410.006 2.983 0 50 HFAA CC(C)[C@@H](O)C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O 2325877254 NIACMTTVFBTZLW-LLVKDONJSA-N 404.357 2.668 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCc2cnn(C)c2)C1 11843199 QFINUAMRMGTZKO-JOCHJYFZSA-N 401.482 2.906 0 50 HFAA COC(=O)CCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 11879922 QLAFBHGQVSOGKD-FQEVSTJZSA-N 420.525 2.999 0 50 HFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1nnnc1CN1CCCCCC1 12024909 JYCXNFPEEZHJLM-UHFFFAOYSA-N 410.444 2.727 0 50 HFAA Cc1nc(N2CCC[C@H](C(=O)NCCC(C)C)C2)nc2cc(S(C)(=O)=O)ccc12 12099217 QGSXBFQZCJAWLA-INIZCTEOSA-N 418.563 2.720 0 50 HFAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 12411164 CACUREABGGTWQA-UHFFFAOYSA-N 407.426 2.509 0 50 HFAA biogenic,in-vitro O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCC1CCOCC1 13637037 XZYPPXNXLYRWOX-QHCPKHFHSA-N 421.541 2.587 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1c(F)cccc1F)C2 14540071 RJDSCXPGUYIMDY-CYBMUJFWSA-N 406.502 2.534 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc2c1OCO2 19782238 NLAGWUMJCNEOBZ-IBGZPJMESA-N 402.466 2.632 0 50 HFAA O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19931963 MJHVCWKCIDPPFN-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA Cc1cccc2nc(CNC3CCN(c4cccc(N5CCNC5=O)c4)CC3)cn12 20454079 AWOGXTGHZOMKPM-UHFFFAOYSA-N 404.518 2.931 0 50 HFAA CC(C)(CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCOCC1 20992793 OVCFISUSCFLQSJ-UHFFFAOYSA-N 413.518 2.973 0 50 HFAA COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1 169770471 RVXOCFPILQAGNE-UHFFFAOYSA-N 424.476 2.716 0 50 HFAA Cc1cc(C)nc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 239309155 HFVXNRINUXJUCC-QRVBRYPASA-N 406.486 2.818 0 50 HFAA COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 242106202 WHUXZCVIWYEWKZ-QGZVFWFLSA-N 402.438 2.873 0 50 HFAA CC(=O)c1cn(CCNC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)c2ccccc12 252536695 JEGYCAYCWDEOLC-LJQANCHMSA-N 418.453 2.750 0 50 HFAA Cc1cc(C)c(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1C(=O)O 751279820 UQCSZBYAVKSJNV-UHFFFAOYSA-N 408.451 2.778 0 50 HFAA COc1ccccc1[C@H](NC(=O)N(CC(=O)O)Cc1ccccc1)c1nccn1C 888094356 KHTJWECNYXREQS-FQEVSTJZSA-N 408.458 2.815 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(F)c(OC)c2F)cc1OC 1529141936 VGLNFQGOCZDXMS-IEBWSBKVSA-N 423.412 2.565 0 50 HFAA O[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1N1CCN(c2ccccn2)CC1 1565514616 YGJGEYOWPHNGOZ-PMACEKPBSA-N 404.917 2.632 0 50 HFAA Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)N1C[C@H](C(=O)O)C2(CCOCC2)C1 1775982712 CZNMNUYMMORWKE-MRXNPFEDSA-N 402.491 2.933 0 50 HFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 1857729830 UGVPEKZDADGYQZ-UHFFFAOYSA-N 424.526 2.968 0 50 HFAA CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(C(=O)OC)c2n1CCCC2 1875360222 BTTOFGFPMAFMPB-UHFFFAOYSA-N 413.474 2.964 0 50 HFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(C(=O)NCc3cccnc3)cc2Cl)cn1 1875385292 QEYYXIDXDIPVHW-XRHLQHRESA-N 411.893 2.662 0 50 HFAA COC(=O)c1ccc2c(c1)CCN(c1nc(O)c3cnn(-c4ccccc4)c3n1)C2 2325874092 APMCNXQACUSXLV-UHFFFAOYSA-N 401.426 2.870 0 50 HFAA Cc1nc(C)n(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 2356154206 MOXMREHWNLBMLH-QHCPKHFHSA-N 402.502 2.859 0 50 HFAA CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 807182 SNYPDBVHHZZGSK-UHFFFAOYSA-N 406.460 2.510 0 50 HFAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 2882120 GMBKLKWQNPKUHU-UHFFFAOYSA-N 407.517 2.640 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 10462405 BQKJMXMTHZSXSM-XLIONFOSSA-N 407.470 2.587 0 50 HFAA Cn1cc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)cn1 11822168 VLEAHJHRZDCNGC-UHFFFAOYSA-N 405.502 2.789 0 50 HFAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1F 14733663 RYNISEXXMWORCJ-INIZCTEOSA-N 402.539 2.704 0 50 HFAA CN(C)c1nc(NC2CC2)nc(Oc2ccc(=O)n(Cc3ccc(Cl)cc3)n2)n1 16650899 RUDXVZVXJNDQBG-UHFFFAOYSA-N 413.869 2.563 0 50 HFAA COc1cccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 19720685 SRYDPTASCFCRIX-MECCDNJOSA-N 405.498 2.658 0 50 HFAA COc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc2c1OCO2 20773939 ZPLYXMYCHHHAMT-NRFANRHFSA-N 412.530 2.925 0 50 HFAA CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 54092229 KEZCRCISUVKQPR-PMACEKPBSA-N 411.589 2.668 0 50 HFAA CNC(=O)[C@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67785879 ICTPQQOVRGQYRS-HNNXBMFYSA-N 409.442 2.624 0 50 HFAA Cc1cncc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccnc4)ccc3C2)c1 77421602 JHZGRHKMBDOWKU-UHFFFAOYSA-N 408.483 2.784 0 50 HFAA CCCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c(O)c2ccccc21 100658558 IFRXSPVBMMFTAO-UHFFFAOYSA-N 415.471 2.932 0 50 HFAA COc1cccc(CN2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 104414992 BTEPSUPNWBXNCC-OAQYLSRUSA-N 406.530 2.950 0 50 HFAA COc1ccc(CN2C=C(C(=O)OCc3ccccc3)C(C)=NS2(=O)=O)cc1 169755180 JCEJFNAIGAJABY-UHFFFAOYSA-N 400.456 2.844 0 50 HFAA CC(C)(O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 170599428 KFIGPQWHGROWOT-UHFFFAOYSA-N 410.923 2.709 0 50 HFAA Cc1cccc(-c2nnc(S)n2CCC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)c1 170600928 JSMNLVQDYXHYFZ-CQSZACIVSA-N 403.552 2.694 0 50 HFAA C[C@@H](NC(=O)N(C)c1ccccc1S(=O)(=O)N(C)C)c1nc2ccccc2[nH]1 225459860 QXUTUWHSIJEDQQ-CYBMUJFWSA-N 401.492 2.720 0 50 HFAA CSc1ccc(C=c2sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 254554987 NPOAYPDOMINIRG-MRXNPFEDSA-N 409.492 2.933 0 50 HFAA CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc3nnc(-c4ccccc4)n3n2)cc1 301215820 XTSFOINBZQURLJ-AWEZNQCLSA-N 408.487 2.873 0 50 HFAA Cc1csc(C2(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)CCCC2)n1 303498156 LXTWFJQPYGJLME-UHFFFAOYSA-N 404.517 2.702 0 50 HFAA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 390832664 DYQJXDRCRMWMKS-DETPVDSQSA-N 417.333 2.621 0 50 HFAA CCc1ncc2c(n1)CN(C(=O)c1cc3c(n(-c4ccccc4)c1=O)CCCC3=O)C2 426571671 UQRNHFPHUZJSON-UHFFFAOYSA-N 414.465 2.865 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1 464293071 GQYIJXDLFJFWRZ-UHFFFAOYSA-N 406.508 2.585 0 50 HFAA Cn1nc(C(F)F)c2cc(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)sc21 684210483 AZJXCOYQNXYARB-SNVBAGLBSA-N 419.457 2.680 0 50 HFAA COCCCOCCC(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 952892257 GBOOHJAQHXNHCZ-NRFANRHFSA-N 415.534 2.891 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)N3CCC(c4ccnc(N)n4)CC3)c(C)s2)n[nH]1 1506401606 NHOZSYLPCFFGJX-UHFFFAOYSA-N 418.548 2.696 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2nc3c(s2)CCCC3)cc1OC 1529119539 JNOIDENWKMJAPQ-IEBWSBKVSA-N 418.515 2.614 0 50 HFAA CCCCN1C[C@H]2CN(C(=O)CCC(=O)Nc3cccc(CC)c3)C[C@@]2(CO)C1 1772810134 JIGWXTVKERBZBB-WMZHIEFXSA-N 401.551 2.521 0 50 HFAA Cn1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)cn1 1857698609 ZSLDFRXYMQWEKI-HXUWFJFHSA-N 410.518 2.659 0 50 HFAA Cc1[nH]nc(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c1C 1857712255 GZWIFEPIBGSZPA-CMKODMSKSA-N 402.926 2.943 0 50 HFAA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Cc1cc(O)ccc1Br 1875343713 RWBUOMIXFLJBNN-GOSISDBHSA-N 403.276 2.705 0 50 HFAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c(C)c1 2100544626 BWKKGAFSAHDSGI-UHFFFAOYSA-N 424.545 2.816 0 50 HFAA c1ccc(OCCCN2CCOCC2)c(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 2356144825 NOBBQUFZYDICFV-XMMPIXPASA-N 410.562 2.991 0 50 HFAA COCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 956414 OKBUDXJDWAVESF-INIZCTEOSA-N 422.466 2.531 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)c1 1077952 SPXNHKWAMUICGH-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA CCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)cc1 7649274 FMERHJRRMBMOHG-HXUWFJFHSA-N 410.470 2.550 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1cccs1 8399159 GAPVTQQAOKKFNZ-IDJPSDCMSA-N 416.549 2.921 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697514 BYMBJWCMZLOITP-KRWDZBQOSA-N 404.474 2.731 0 50 HFAA CCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)Cc4ccccc4OC)CC[C@H]32)n(C)n1 12000233 WIJYYOZCDLJCMH-UYAOXDASSA-N 424.545 2.687 0 50 HFAA COc1ccc(CN2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c(OC)c1C 12040949 DYABSGUPEXAIKS-UHFFFAOYSA-N 401.511 2.579 0 50 HFAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1OC 14741533 HBAKULJGKXYAFZ-QGZVFWFLSA-N 412.534 2.711 0 50 HFAA COc1ccc(F)c(C[C@@]2(CCC(=O)N[C@@H](C)Cc3ccccn3)CCC(=O)N2)c1 14997060 VVMABUIYHCFNAQ-QMHKHESXSA-N 413.493 2.948 0 50 HFAA Cc1cc(C)nc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 17087430 BEMUYOLCGKMUCR-UHFFFAOYSA-N 406.533 2.528 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCc1ccccc1 55088626 IZFJNCIUSKFMSB-IBGZPJMESA-N 419.447 2.755 0 50 HFAA Cc1nc(CN2CCN(C(=O)CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 55227088 XDTOOICZIYIGSI-UHFFFAOYSA-N 410.902 2.917 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1C(=O)C12CC3CC(CC(C3)C1)C2)OCc1ccccc1 72437418 NOWARRZCWIPVCC-LOXVZWDBSA-N 410.514 2.663 0 50 HFAA CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 169305596 GNHMVTNVKQLOBK-UIVXKWKOSA-N 404.850 2.535 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)C1 239175846 QSYCNTMPHIJYFN-ZTFGCOKTSA-N 406.504 2.713 0 50 HFAA C=CC(=O)NCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 772779734 WDYMWWSJBJINLM-OAQYLSRUSA-N 400.500 2.932 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1c(C)oc2c1C(=O)CCC2 1529172788 IDBSFUQNYURYJW-ZDUSSCGKSA-N 405.476 2.532 0 50 HFAA OCCOc1cccc(CN2C[C@@H]3CN(Cc4cccc(Cl)c4)C[C@]3(CO)C2)c1 1772815420 QILGEQAZXAAONV-NZQKXSOJSA-N 416.949 2.637 0 50 HFAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccc(OCC(=O)NC(C)(C)C)cc1 1857673089 NMZFHIUABMDBFS-UHFFFAOYSA-N 411.506 2.638 0 50 HFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc2oc(=O)ccc2c1 1857674245 ZSFJEAZNSPMVJS-JNAXZKDPSA-N 405.472 2.678 0 50 HFAA OCCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCc2cscn2)CC1 1857682933 RODZHYXMLBHYIF-UHFFFAOYSA-N 421.570 2.906 0 50 HFAA CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857735111 IMHOGKJKWZLPDW-UNMCSNQZSA-N 403.498 2.594 0 50 HFAA Cc1nc(N2CCOCC2)sc1C(=O)NC1CCN(CCc2ccccc2)CC1 1857740691 UYWCCUJPRYOSSG-UHFFFAOYSA-N 414.575 2.725 0 50 HFAA O=C1NCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)[C@H]1c1ccccc1Cl 1875259147 UEMGVEHFBPDZLI-KRWDZBQOSA-N 416.268 2.887 0 50 HFAA Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)Cc1cc(O)ccc1Br 1875343714 RWBUOMIXFLJBNN-SFHVURJKSA-N 403.276 2.705 0 50 HFAA Cc1nc(C)c(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)s1 2325740696 HCTIHPORGDKWNZ-SNVBAGLBSA-N 408.501 2.642 0 50 HFAA CN1CCCC[C@H]1C(=O)N1CC(c2cn(-c3ccc(Br)c(F)c3)nn2)C1 2325863119 WKFAEYLXPCADLD-KRWDZBQOSA-N 422.302 2.579 0 50 HFAA Cn1c(=O)c2c(nc(SCc3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O 638246 JVCDMFUEQRKNCK-UHFFFAOYSA-N 410.474 2.913 0 50 HFAA CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3C)C2)c1 1053017 OIFAQHSHEOWCJB-IBGZPJMESA-N 421.544 2.867 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 1158076 WDCQMKILNRKUSR-UHFFFAOYSA-N 416.499 2.806 0 50 HFAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCc2ccccc2C1 2876015 YUGNKATWFVJEHU-UHFFFAOYSA-N 402.516 2.645 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 4975774 PDCVFVBIDQBNGK-INIZCTEOSA-N 421.563 2.693 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 11697710 RAMHFMWMRRNKQP-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA Cc1cccc(CN2CCC(N3CCC(C(=O)N4CCSCC4)CC3)CC2)n1 11938167 AOLJFGGGAQYMFS-UHFFFAOYSA-N 402.608 2.642 0 50 HFAA COc1cccc(OC)c1CN1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 12034962 USQJKULFZGZJFQ-GOSISDBHSA-N 415.538 2.577 0 50 HFAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)CC1 12302476 LARFIGDROKPRMI-NRFANRHFSA-N 411.546 2.584 0 50 HFAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 12575263 OBWMSGWMNNDWGM-KRWDZBQOSA-N 423.448 2.604 0 50 HFAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCN2CCCCO2)cc1 12754878 UCHKJBALWUCOTF-UHFFFAOYSA-N 403.567 2.826 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@H](C)CSC)CC2)C1=O 14533329 CFBJAHHPBSEGIB-QGZVFWFLSA-N 405.564 2.683 0 50 HFAA COc1cccc(CN2C[C@@H](OCc3c(C)noc3C)CN(CC3CC3)CC2=O)c1 14542689 DYNFLQLGNSCWRM-NRFANRHFSA-N 413.518 2.940 0 50 HFAA O=C(c1nn(CCCc2ccccc2)c2c1CN(CC1CC1)CC2)N1CCOCC1 14749476 YCHQMTSFJRZJCT-UHFFFAOYSA-N 408.546 2.756 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCn4cccn4)C3)nc(C)c2c1 14974012 ZLXNEWCINYFCHH-GOSISDBHSA-N 422.533 2.956 0 50 HFAA CC[C@H](COC)NC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 14980303 FCUSPPGYYOLXKT-CQSZACIVSA-N 419.551 2.579 0 50 HFAA Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cs1 82108032 XSRBMNHRWACLKC-LJQANCHMSA-N 413.591 2.839 0 50 HFAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 245227512 INFMOKVXTGNCAI-YFYRFGBOSA-N 401.434 2.607 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)CC3 491565077 SBXFCNURNJHLDF-FYSMJZIKSA-N 416.481 2.818 0 50 HFAA COc1ccc(CCNC(=S)N(CCO)Cc2ccc(OC)cc2OC)cc1 731952790 ITOPPCWPFKZGOB-UHFFFAOYSA-N 404.532 2.624 0 50 HFAA COc1ccc2[nH]c(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)cc2c1 824758460 FTPGDZUDAUAVQB-UHFFFAOYSA-N 409.442 2.666 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772816325 NNUZONRLGHZNRE-OAHLLOKOSA-N 400.504 2.611 0 50 HFAA CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2ccccc2c1 814549 KNMSJCSXJFXOSF-UHFFFAOYSA-N 412.467 2.870 0 50 HFAA O=C(N/C(=C/c1cccc(Br)c1)C(=O)N1CCOCC1)c1ccco1 915883 SLEIWPBDVSZJLS-NTCAYCPXSA-N 405.248 2.672 0 50 HFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)C1 2808009 HTAWKTAMGBECOD-LLVKDONJSA-N 412.309 2.607 0 50 HFAA COCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 5050971 FTZYKWWMHOLXOQ-UHFFFAOYSA-N 410.923 2.996 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)c1 8599205 MCCIWAGBDBTRMP-UHFFFAOYSA-N 416.503 2.783 0 50 HFAA Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4F)CC3)O2)n1 11995543 LPMOQOXCDDQLOY-KRWDZBQOSA-N 404.461 2.642 0 50 HFAA O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccccc1 12020345 VQHFXLOZJLJNMK-LNXRDCKCSA-N 416.485 2.671 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 12091648 IQRKMJYHFIWWOL-HXUWFJFHSA-N 403.571 2.697 0 50 HFAA CO[C@@H](C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1)c1ccccc1 12244311 ZVQTXSJDAWOVIP-HXUWFJFHSA-N 411.506 2.502 0 50 HFAA COC[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 12301094 IEMZVHZGJVJLBJ-LJQANCHMSA-N 405.564 2.829 0 50 HFAA Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 12317123 GWVCRVBPQDLBSD-LJQANCHMSA-N 403.486 2.631 0 50 HFAA CC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715010 YEAGGZNQXRYAAF-INIZCTEOSA-N 409.895 2.622 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O 14745333 UATQPPKERROQGD-UHFFFAOYSA-N 423.513 2.838 0 50 HFAA C[C@@H]1CN(CCC(=O)NCC(C)(C)N2CCOCC2)Cc2cc(Cl)ccc2O1 15005497 XXNYVUCYKOEYCN-MRXNPFEDSA-N 409.958 2.540 0 50 HFAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cnn(C)c2)n1 20608107 MLAXEZVPFGXJEA-UHFFFAOYSA-N 412.519 2.551 0 50 HFAA CC(C)(CO)CNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82120407 VCRHAZIQRICIKR-KRWDZBQOSA-N 414.550 2.643 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCSCC1 91724621 MVJFNKDDMRYQQZ-OAQYLSRUSA-N 413.631 2.906 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N[C@H]1CCCC[C@H]1C 242346861 ZJRONSZKOXIAAV-NIJIEXERSA-N 423.561 2.657 0 50 HFAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC5CC5)CC4)c3CO2)cc1 263615565 DBJJHZSCVJQKRH-FQEVSTJZSA-N 408.502 2.594 0 50 HFAA C[C@]1(c2cccc(C(=O)N3CC=C(c4c(F)cccc4F)CC3)c2)NC(=O)NC1=O 474419092 ZIYLGGAJUZAINR-JOCHJYFZSA-N 411.408 2.949 0 50 HFAA CC[C@@H]1CN(C/C=C/CN2CCN(CC(F)F)[C@H](CC)C2)CCN1CC(F)F 499255031 KRYJJOSYDVSFBH-PJHKVULZSA-N 408.528 2.865 0 50 HFAA CO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1ccc(C)cc1F)CC2 534652357 YMRSAKXNQPDQFR-KAGYGMCKSA-N 400.498 2.659 0 50 HFAA O=C(Cc1cnn(-c2ccccc2)n1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766738938 QHGRTHQBFHOLSM-AWEZNQCLSA-N 413.840 2.524 0 50 HFAA CCOc1ccc(Nc2ncccc2C(=O)O[C@H](C)CN(C)S(C)(=O)=O)cc1 786585928 GCRUYYDAYNODMC-CQSZACIVSA-N 407.492 2.661 0 50 HFAA COc1cc(F)c(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c(F)c1 1857673448 IWLUDCJZRVIOMD-OAQYLSRUSA-N 402.397 2.863 0 50 HFAA COc1cc(-c2nc(Cn3cc(C[C@H](O)c4ccccn4)nn3)cs2)ccc1O 1875309513 AMXSDSDNNAXBKF-SFHVURJKSA-N 409.471 2.835 0 50 HFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CC(Oc4cccc(Cl)c4)C3)cn12 2100539333 CXKRTHSKPZLSNR-GOSISDBHSA-N 400.866 2.976 0 50 HFAA CN1CCN(c2ncc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)s2)CC1 2325738848 HPQIABOESNGWIU-LJQANCHMSA-N 413.591 2.852 0 50 HFAA O=C(CCn1cc(-c2cccs2)nn1)NCC(=O)N[C@@H]1CCCc2ccccc21 2325826329 YPFSFTXFCVVXQC-QGZVFWFLSA-N 409.515 2.707 0 50 HFAA O=C(NCc1ccc2c(c1)OCCCO2)c1cc2c(s1)C1(CCNCC1)OCC2 2356168820 OXMCASLTQFXROU-UHFFFAOYSA-N 414.527 2.991 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 1049382 DYAJBXDRJOZDOA-HNNXBMFYSA-N 404.488 2.965 0 50 HFAA O=C(Nc1nccs1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 1079708 VYWOGWNBYYOYDH-CQSZACIVSA-N 405.526 2.959 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1108749 QEEDICDWNQZHBF-MRXNPFEDSA-N 421.950 2.664 0 50 HFAA O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 1895164 YYWSMVBCNMDTSM-UHFFFAOYSA-N 413.477 2.884 0 50 HFAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O 2873901 UOGZQGRYLRMGAQ-LBPRGKRZSA-N 410.879 2.904 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1C 4413945 FZJGQNRLMOJAFP-SFHVURJKSA-N 417.531 2.506 0 50 HFAA COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1OC 5058258 OCIRIPZRDJXYIJ-MUUNZHRXSA-N 406.504 2.975 0 50 HFAA CCCS(=O)(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 11878207 JMQKQYMCLKFUEO-OAQYLSRUSA-N 421.607 2.609 0 50 HFAA CC(C)Cn1c(CN2CCC[C@@H](CO)C2)cnc1S(=O)(=O)Cc1ccccc1 11935839 OBPKDRGQYOYOOK-LJQANCHMSA-N 405.564 2.717 0 50 HFAA COc1ccc(-n2c(CCNC(=O)CSc3ccccn3)nnc2SC)cc1 12243157 FZXSPQMQNMSEKO-UHFFFAOYSA-N 415.544 2.844 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC(C)C)cc(S(=O)(=O)N3CCOCC3)c2)s1 14754407 ZAFJIIKERGEXBM-UHFFFAOYSA-N 408.545 2.883 0 50 HFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CCCC(=O)OC)CC1 14979085 XHLXACVHBMYBDU-UHFFFAOYSA-N 405.491 2.753 0 50 HFAA Cn1cnnc1SCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 15078647 QUNVAZMDKMILNG-AWEZNQCLSA-N 404.446 2.565 0 50 HFAA O=C(NCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2)c1ccccc1 20775584 MVBWYLOEGAQFHJ-UHFFFAOYSA-N 412.497 2.815 0 50 HFAA CC[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 67613892 AJPWMBQQJHIJIC-KRWDZBQOSA-N 401.488 2.525 0 50 HFAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)[C@@H]1CCOC1 72436225 VNTPTTAAVWLJMA-GOSISDBHSA-N 406.486 2.896 0 50 HFAA COc1ccc(CCC(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)c(OC)c1OC 170601776 FTUIHNDKIDVQIV-KRWDZBQOSA-N 410.474 2.863 0 50 HFAA COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(C)c1 170618454 JGDRVRSDMOZYDS-IBGZPJMESA-N 401.488 2.691 0 50 HFAA Cc1cccc2c1ccn2CCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 170622172 NLUFSPUIDNHMFN-INIZCTEOSA-N 401.470 2.995 0 50 HFAA Cc1c(C)[n+]([O-])c([C@@H](C(C)C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587383 GHCCAIZNZOZKGI-KRWDZBQOSA-N 400.475 2.979 0 50 HFAA CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1c[nH]c3ccc(F)cc13)CC2 683124599 TVTWNXNUCPBZBA-AWEZNQCLSA-N 411.481 2.563 0 50 HFAA Cc1nc(O)nc(O)c1CCC(=O)NCC1(c2ccccc2Br)CC1 741197865 ISFLAOVTHVJRSL-UHFFFAOYSA-N 406.280 2.739 0 50 HFAA CCN(CC)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 742901565 ANHUAJKCDQBXGL-HNNXBMFYSA-N 415.987 2.927 0 50 HFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 769524064 XMJRCEBJSGSXGM-JKIFEVAISA-N 415.506 2.524 0 50 HFAA COC(=O)c1coc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1 904945175 VNQDADXXBMJGJY-UHFFFAOYSA-N 417.443 2.685 0 50 HFAA O=C(COc1ccc(F)cc1)N[C@H]1CC[C@@H](NC(=O)COCc2ccccc2)C1 1857686279 OSAWPGYRNYMRTH-MOPGFXCFSA-N 400.450 2.575 0 50 HFAA COC[C@@H](O)Cc1cn([C@H]2CCCN(C(=O)c3c(Cl)cccc3Cl)C2)nn1 1875358211 NGLWXHXWHZQNRJ-KBPBESRZSA-N 413.305 2.612 0 50 HFAA Cc1cccc(C)c1CN(C)c1ncnc2c1ncn2CCCN1CCC(O)CC1 2325872468 YZOZMYNTHSGUKK-UHFFFAOYSA-N 408.550 2.926 0 50 HFAA Cc1ccn2c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3[C@H]4CCC(C)C)nnc2n1 2356155221 CFIGTCPXLSUVMZ-AOIWGVFYSA-N 420.517 2.831 0 50 HFAA O=C(OCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 826785 PETOPWNHLLNARL-UHFFFAOYSA-N 420.270 2.964 0 50 HFAA CCOC(=O)c1cc(I)c(N)c(I)c1 4272096 IFLWBYIITJOICR-UHFFFAOYSA-N 416.984 2.655 0 50 HFAA COc1ccc(CNC2CCOCC2)cc1OC[C@H](O)CN1CCCCCCC1 11717837 MJVNHPNRVCYSRI-OAQYLSRUSA-N 406.567 2.970 0 50 HFAA COCC(=O)Nc1cc(C(=O)N[C@H](C)COC)cc2nc(-c3ccccc3)n(C)c12 11839648 QPLREICVPMXZPA-CQSZACIVSA-N 410.474 2.590 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2)CC1 12206130 MULRCWPFFLNEMK-GOSISDBHSA-N 418.534 2.780 0 50 HFAA Cc1cccnc1CCNCc1ccccc1OC[C@H](O)CN1CCSCC1 12303987 JETXOACCLCRUDF-HXUWFJFHSA-N 401.576 2.511 0 50 HFAA CC[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716725 YTNRUICKDKQMQF-SFHVURJKSA-N 415.515 2.833 0 50 HFAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 14962167 DOVNUVBDYQKQNI-AWEZNQCLSA-N 413.590 2.581 0 50 HFAA CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 65364893 SIHVZTSRTFCECN-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA CC1(C)CC(NC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC(C)(C)N1 67723787 KBCSVIGIVWJKQT-JOCHJYFZSA-N 409.521 2.717 0 50 HFAA CN(Cc1nccs1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82117003 SMTKPQKTYIHMCR-IBGZPJMESA-N 413.591 2.873 0 50 HFAA C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239135344 LCMRPRQXCZZNOH-HSXSFOCCSA-N 415.287 2.829 0 50 HFAA C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248165592 RHNLCSAJEYDXQE-JTOWHCCKSA-N 400.475 2.545 0 50 HFAA O=C(NC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)CC1)c1ccccc1 499746586 XHZHYUAOTXUJEG-UHFFFAOYSA-N 408.433 2.752 0 50 HFAA OCCOc1cccc(CN2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(CO)C2)c1 1772815421 QILGEQAZXAAONV-OFNKIYASSA-N 416.949 2.637 0 50 HFAA CCCS(=O)(=O)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@@H]2C1 1775988467 GHRAHBCNLCDWLG-SWLSCSKDSA-N 414.453 2.899 0 50 HFAA COC(=O)c1ccccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 630059 SWDLJXMXHJBHPO-UHFFFAOYSA-N 416.231 2.584 0 50 HFAA COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 857968 WETGPBDOWQOOLR-UHFFFAOYSA-N 418.515 2.830 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 1049373 HYEDQHMLMRQNIO-GFCCVEGCSA-N 410.879 2.920 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nccs2)cc1 1195918 YEAQZDJNTQXXJA-KRWDZBQOSA-N 401.513 2.980 0 50 HFAA COC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1N1CCOCC1 4414035 GIEHUCLMFIBUGJ-UHFFFAOYSA-N 400.431 2.579 0 50 HFAA Cc1cc(C)nc(NC(=O)NS(=O)(=O)N(Cc2ccccc2)c2ccccn2)n1 6056173 DOYAODUVGPKLJZ-UHFFFAOYSA-N 412.475 2.562 0 50 HFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6703065 TWXVHTIBIYOLNE-UHFFFAOYSA-N 409.511 2.952 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1NC(C)=O 6703260 KJEWTEMJMUBHDD-UHFFFAOYSA-N 421.494 2.694 0 50 HFAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@H](O)CN1CCCCCCC1 11841874 DLOBEKFSACBNQK-HXUWFJFHSA-N 408.583 2.809 0 50 HFAA CSCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 12054729 RZWJSJKERSRUCO-LJQANCHMSA-N 403.592 2.759 0 50 HFAA Cc1cc(=O)c(C(=O)NC(C)(C)CO)c(CCc2ccccc2)n1Cc1ccccn1 12247144 RRGUUQUGZIUFSD-UHFFFAOYSA-N 419.525 2.886 0 50 HFAA COCCS(=O)(=O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)n1Cc1ccccc1 12317089 CGZLFZWITUZVQS-MOPGFXCFSA-N 403.548 2.726 0 50 HFAA Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641295 LXDNDTOOCAGKBV-OAHLLOKOSA-N 406.442 2.847 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1(O)CCCCC1)C2 14741468 LHMQAIQOOHHHAR-SFHVURJKSA-N 402.583 2.917 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(-n2cccn2)n1 23144298 FYHWCAUQOJCXMM-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl 65362989 CYVRJDVSFRFCLX-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA Cc1ccccc1CN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O 67602213 HZOPNEZLCQTSTD-UHFFFAOYSA-N 415.559 2.785 0 50 HFAA COc1cc(CN(C)Cc2cc[nH]n2)ccc1OC[C@@H](O)CN1CCCCCC1 95521307 ZHWDVAOWGFDRBR-FQEVSTJZSA-N 402.539 2.666 0 50 HFAA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(N2CCCCS2(=O)=O)cc1 218322458 LBSWMNJKKIPTAE-UHFFFAOYSA-N 417.531 2.953 0 50 HFAA O=C1C[C@@H](N(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C2CC2)C(=O)N1 222052440 GKPSWPIMFUAWBC-BYTHXJOKSA-N 409.324 2.517 0 50 HFAA COC(=O)c1c(C)[nH]c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1C 409413858 LHJFWJOCZCRWBI-AWEZNQCLSA-N 414.458 2.957 0 50 HFAA biogenic COc1nnccc1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 808903638 HSCUZCRUZBJIMH-UHFFFAOYSA-N 412.368 2.899 0 50 HFAA CCc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(Cl)cc3OC)C2)n[nH]1 952962726 CMIJCLMRAOPUJI-ZDUSSCGKSA-N 404.898 2.916 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)CC1 952970313 RCNJKNQACPOZKW-HXUWFJFHSA-N 408.502 2.537 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)o2)c1C 1506408888 NEAPUHUCGALLCV-GOSISDBHSA-N 409.464 2.547 0 50 HFAA CN(C)Cc1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857733263 BYXVVROCTJAGEQ-LGVFNWMJSA-N 405.498 2.663 0 50 HFAA COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1 786754 IIMYEPMFBJSBDU-UHFFFAOYSA-N 404.488 2.522 0 50 HFAA CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 790690 BCRWAHBXXMJNBG-UHFFFAOYSA-N 412.471 2.857 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 1111421 FCNREBXRMNTNMA-UHFFFAOYSA-N 424.979 2.815 0 50 HFAA O=C(CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1)OCc1ccccc1 4843960 YPWXQUGNZWESJE-XMHGGMMESA-N 404.422 2.910 0 50 HFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2ccc3c(c2)OCO3)no1 12039830 BFCYHMLMDWVMII-KRWDZBQOSA-N 408.410 2.508 0 50 HFAA CCn1nc(C)c(CNCc2ccc(OC[C@@H](O)CN(C)C(C)C)c(OC)c2)c1C 12303167 CPRFRHWBJSMIEC-FQEVSTJZSA-N 418.582 2.898 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1cccnc1 12468398 ISQUMKGZXXMUIE-HXUWFJFHSA-N 420.473 2.534 0 50 HFAA CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2Cc2ccc(Cl)cc2)C1 13322731 SNNAVZVSIYFHRH-CYBMUJFWSA-N 400.957 2.798 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1C 19943512 KILFZYWJVQCIEY-UHFFFAOYSA-N 402.516 2.847 0 50 HFAA O=C1C[C@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)CN1Cc1cccnc1 20997251 NKCWWPJDRVOTTD-QFIPXVFZSA-N 421.541 2.664 0 50 HFAA CN1CCC(N2CCC(Oc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)CC1 95497513 FPYLRHWVMPTKBZ-JOCHJYFZSA-N 401.551 2.533 0 50 HFAA CN(CCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1)S(C)(=O)=O 95513186 BJNXBNIIKQXFOV-UHFFFAOYSA-N 400.544 2.877 0 50 HFAA COC(=O)c1nc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)sc1CC(C)C 206232320 WRWOTRWUWYTXDC-CQSZACIVSA-N 414.491 2.537 0 50 HFAA Cc1csc(NC(=O)CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)n1 218157938 OUSIKWOBXOKTQW-UHFFFAOYSA-N 422.532 2.739 0 50 HFAA O=C(Cc1cccc(Cl)c1)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244794855 QVEBXTBIIMEZDN-WOVMCDHWSA-N 401.898 2.666 0 50 HFAA CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@@H]1C 253694509 AKUCMKAPHCGRFV-RQUKQETFSA-N 412.530 2.941 0 50 HFAA Cc1c(C(=O)NC[C@@H]2COc3ccccc3O2)cnn1-c1nccc(-c2ccco2)n1 299764666 BUBWJNHQLFGNBN-OAHLLOKOSA-N 417.425 2.801 0 50 HFAA c1ccc(-c2ncc(CN[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cn2)cc1 952869495 MGJWIAQGJRMHFG-NEQFMPMPSA-N 411.553 2.801 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@H](CNC(C)=O)C2)ccc1F 1704311340 FYDYHEZELSKTSF-CQSZACIVSA-N 418.469 2.544 0 50 HFAA Cc1noc(C)c1CN1CCC2(CC1)OCCc1cc(OCC(=O)N(C)C)ccc12 1857673680 RCHADUZAMZGEOX-UHFFFAOYSA-N 413.518 2.822 0 50 HFAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCc2cc(-c3ccccc3Cl)on2)n1 1857691937 HJIUNPLSZWLECC-SFHVURJKSA-N 402.886 2.867 0 50 HFAA N=c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)c[nH]1 2356153507 JUYMUXBUSACCBF-DYXWJJEUSA-N 400.482 2.699 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 824161 FFSMFQNIKISZJM-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA Cc1cccc(CC(=O)N2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c1 11783158 PKVHQUPPSGRELD-XMMPIXPASA-N 423.488 2.736 0 50 HFAA O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 11839009 RPQZUTVTFAYBDP-HRAATJIYSA-N 400.500 2.676 0 50 HFAA CCN1CCC[C@H]1CNC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O 12159518 CHFFXVJTLRKICA-FQEVSTJZSA-N 411.546 2.931 0 50 HFAA COc1ccccc1-c1cn2c(C(=O)N3CCN(c4cnccn4)CC3)csc2n1 12207879 ITCSETGFBZATOG-UHFFFAOYSA-N 420.498 2.824 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)no1 14542130 NEPLDRMVULEVGL-KRWDZBQOSA-N 403.454 2.648 0 50 HFAA O=C(CN1CCCC1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 14963627 STMBSWMDJYLSAJ-QGZVFWFLSA-N 403.954 2.822 0 50 HFAA NC(=O)[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 14967921 SUKKHFVHJGQEET-KRWDZBQOSA-N 404.470 2.965 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc(OC)c1 14975796 FVFWFYMALTYOEL-HNNXBMFYSA-N 400.479 2.708 0 50 HFAA O=C(Nc1sc2c(c1C(=O)NCCN1CCOCC1)CCCC2)c1ccccc1 20109632 IKGFXTWOIGVZAI-UHFFFAOYSA-N 413.543 2.941 0 50 HFAA O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCCN1CCOCC1 20418572 QDVSGQRNHVGNJJ-UHFFFAOYSA-N 417.487 2.902 0 50 HFAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 20451140 HFPCUYJHLYKZLP-INIZCTEOSA-N 409.933 2.814 0 50 HFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 21795750 ATEXOLXSYICUHN-UHFFFAOYSA-N 423.565 2.508 0 50 HFAA CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 35567755 CKLHXEJEWTVOIA-UHFFFAOYSA-N 401.532 2.746 0 50 HFAA COc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)c(OC)c1 44803278 GYUSRZOUHDRENS-UHFFFAOYSA-N 415.471 2.872 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 67613026 ACTAZKWWJKYQOW-UHFFFAOYSA-N 417.513 2.737 0 50 HFAA O[C@@H]1CN(c2ccc(Cl)cn2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 71751974 KVMJRUWFYWUMGT-NHCUHLMSSA-N 400.954 2.535 0 50 HFAA O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)CN1CCc1ccccn1 95361575 GFOKKZHDWYZDTB-UHFFFAOYSA-N 401.942 2.879 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1 225566723 OAAZPEJPUFQNAN-ICSRJNTNSA-N 418.538 2.745 0 50 HFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2C[C@@H]2CCCN(c3ncccn3)C2)cc1 299782695 GFZCWQIAIIVGIU-RTWAWAEBSA-N 423.561 2.873 0 50 HFAA Cn1ccnc1-c1ccccc1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828184144 HLLNXHZITTVGQF-MBWAJUJLSA-N 403.490 2.552 0 50 HFAA Cc1cc(C(=O)Cn2cc(C[C@H](O)c3ccccn3)nn2)c(C)n1-c1nccs1 1263421907 IYAZAOSHTLHKTM-SFHVURJKSA-N 408.487 2.696 0 50 HFAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCCc2nnc3ccccn23)CC1 1775942445 NPGJGUQUPMHXHW-IYARVYRRSA-N 417.513 2.850 0 50 HFAA Cn1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)cn1 1857698608 ZSLDFRXYMQWEKI-FQEVSTJZSA-N 410.518 2.659 0 50 HFAA COc1ccc([C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4C)cc3O)C[C@H]2N)cc1 2325827155 XIVMRSKXKQDSFU-ZWKOTPCHSA-N 410.449 2.601 0 50 HFAA C[C@@H]1CN2C[C@H]1CCNC(=O)c1ccccc1OCC=CC[C@]1(CCCNC1)C2=O 2325894072 UJXSQXDPKMBBCA-KHCICDEESA-N 411.546 2.610 0 50 HFAA CC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(C)c1 2356141744 OAUGEOXUSZPUJO-HSZRJFAPSA-N 407.518 2.930 0 50 HFAA CC[C@H](NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C)c1cn2cccnc2n1 2356168276 XBXIAHLECMGEIS-KRWDZBQOSA-N 417.469 2.888 0 50 HFAA CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1ccc(OC)cc1 1424667 MBBXYEPIGVZHCE-KRWDZBQOSA-N 416.455 2.575 0 50 HFAA CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4474014 JPFOIBXQRIEWIH-SOFZFKJRSA-N 409.417 2.596 0 50 HFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 4593575 RJLKSNZPIIILML-QGZVFWFLSA-N 407.488 2.985 0 50 HFAA CCOC(=O)C[C@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc(C)cc1 4594060 UAHQONPZDJREDC-KRWDZBQOSA-N 407.488 2.985 0 50 HFAA COc1cc(-c2nnn(Cc3cc4c(cc3Cl)OCO4)n2)cc(OC)c1OC 10336121 KXNZSCYQPHLPEH-UHFFFAOYSA-N 404.810 2.796 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1CCc1ccccc1 11663959 UVVRNTDMJHFFDW-UHFFFAOYSA-N 415.563 2.673 0 50 HFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)Cn1nc(C)nc1C)O2 11871416 VVLPHLOBZTZMKU-IBGZPJMESA-N 404.470 2.884 0 50 HFAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)O1 12160036 BZBYOPNUIRIOKR-MRXNPFEDSA-N 404.461 2.642 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)Cc2ncccc2C)CC1 12298570 QCSSVCKHGYYHKW-UHFFFAOYSA-N 411.502 2.678 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc(C)nn1C 12431945 KTJGHTOACLWNDM-LJQANCHMSA-N 410.562 2.697 0 50 HFAA O[C@@H](COc1cccc(CNCCCn2ccnc2)c1)CN1CCc2ccccc2C1 12433281 CSAFTODEJJPDLQ-XMMPIXPASA-N 420.557 2.861 0 50 HFAA CCCCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13008858 HUENGOGBVPIZTL-UHFFFAOYSA-N 406.490 2.804 0 50 HFAA CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715675 DYPXMYLSWUNZNF-SFHVURJKSA-N 407.467 2.967 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccccc1)C2 14538233 BTADQMWVRHUBOJ-FQEVSTJZSA-N 410.562 2.701 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCC[C@@H](CCCO)C2)c1 14973973 OWVUAPJQJOCVMH-SFHVURJKSA-N 418.534 2.710 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1 16576530 ANIROGLYASALHJ-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA O=C1C[C@@H](N2CCN(Cc3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1 20602314 LVWZZFZPZPGRFX-LJQANCHMSA-N 401.869 2.929 0 50 HFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)C1(N2CCOCC2)CCCCC1 23128715 CJNBIFVFABOBLD-IBGZPJMESA-N 422.529 2.598 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCN(CCOc4ccccc4)CC3)n2)cc1 23359876 MADSISGJLDLTGO-UHFFFAOYSA-N 422.485 2.720 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91713135 NNENLFUDGYFQEB-AEFFLSMTSA-N 400.441 2.641 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(OC)cc4C)nnc23)n1 169776062 JLPXQNDDYLMQOC-UHFFFAOYSA-N 406.446 2.979 0 50 HFAA O=C(Cc1cccc(F)c1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169777291 CUVOWOWVBMKJAR-UHFFFAOYSA-N 412.440 2.847 0 50 HFAA O=C(Nc1cc(F)cc(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427690 NVVLRIRERAOLOJ-OAHLLOKOSA-N 416.833 2.646 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299769392 MZIZJZYTDDOVFS-QHCPKHFHSA-N 424.501 2.860 0 50 HFAA COc1cccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1OC 299788479 TVYUYDUGYLRMPT-UHFFFAOYSA-N 401.511 2.518 0 50 HFAA COCCN(Cc1cccc2ccccc12)S(=O)(=O)N1CCC[C@@H](COC)C1 1506398312 ONLZTWBOZJMCBE-GOSISDBHSA-N 406.548 2.891 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CC(=O)N2[C@H]1c1ccccc1 1857730961 FOIXOZAHAZNPCH-BJLQDIEVSA-N 412.873 2.927 0 50 HFAA O=C(N[C@@H](C(=O)N1CCC(CO[C@H]2CCNC2)CC1)c1ccccc1)c1ccccc1 2325869691 YEFOHDCEXOVMTE-XZOQPEGZSA-N 421.541 2.775 0 50 HFAA O=C(CCn1cccn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356143601 PAFPWVXKTIKTOH-MLNNCEHLSA-N 406.530 2.744 0 50 HFAA COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 797712 KCPXUASGIMERHC-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H]3C[C@@]12[C@H](O)O3 1318251 JUHQUIOIVOVZQG-ZUELSLJPSA-N 402.487 2.574 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 2024051 BDBVTUYVWGRBDQ-UHFFFAOYSA-N 410.561 2.731 0 50 HFAA biogenic CCCCn1c(CN(C)C[C@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)CC1CCC1 11820434 RJTDWSNHRYFCJD-GOSISDBHSA-N 424.611 2.557 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3cc(C)no3)cc2)CC1 12314821 BXBSHGSYOMTMGI-UHFFFAOYSA-N 415.490 2.662 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCCN2CCCC2=O)C1 12835135 TWQRUYWEZYYVFB-QHCPKHFHSA-N 418.509 2.943 0 50 HFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccccc1Cl)CC2 14993058 MDMLMYUKLGRIDR-UHFFFAOYSA-N 409.921 2.849 0 50 HFAA CC(=O)N1CCN(Cc2nc3cc(NC(=O)NC4CCCCC4)ccc3n2C)CC1 20029195 KWWNVGYTQBPKDM-UHFFFAOYSA-N 412.538 2.692 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 32519398 UFSVOWDSSUZLOP-SFTDATJTSA-N 419.928 2.974 0 50 HFAA O=C(CC(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1)Nc1ccc(F)c(Cl)c1 55283998 DIJFBFPWYDBKHX-HNNXBMFYSA-N 418.856 2.510 0 50 HFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)n1 64800330 UELYHCQFVDCYJT-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccncc2C)[C@@H](c2cccc(F)c2F)N1C 209670475 RDNGMAIEXNBGAI-SZVBFZGTSA-N 403.429 2.519 0 50 HFAA CC1(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)CCOCC1 299779785 OCJARUMUMQFPCW-OAQYLSRUSA-N 420.525 2.713 0 50 HFAA CN(C)c1nc2c(c(N3C[C@@H]4CC[C@H](C3)N(Cc3cscn3)C4=O)n1)CCCC2 1704300534 XGJUYXKVBJNAKA-GOEBONIOSA-N 412.563 2.505 0 50 HFAA OC[C@]12CN(CCCn3cccn3)C[C@H]1CN(c1nc(-c3ccccc3)cs1)C2 1772812997 USEBSOKOTKHRLK-SIKLNZKXSA-N 409.559 2.827 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)c(F)c2)C1 1857694359 MXACGHGVGLCCOF-SELNLUPBSA-N 421.532 2.794 0 50 HFAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CC(c2ccncc2)=NO1 1875262405 HVJJNTHEJMBIJB-KDOFPFPSSA-N 402.401 2.571 0 50 HFAA COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 2325701893 GZRZGPUXPNBYSB-ROUUACIJSA-N 416.424 2.889 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccnc(C(=O)N3CCCC3)c2)CC1 2325776761 WAZVRYAKUHXWMT-UHFFFAOYSA-N 422.485 2.901 0 50 HFAA CCc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)n1 2325866193 CWULPPSLSSQZDY-NSHDSACASA-N 408.501 2.588 0 50 HFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1cc3c(s1)CCOC31CCNCC1)CCC2 2356160424 RERGRFBUUROFPT-HNNXBMFYSA-N 400.548 2.749 0 50 HFAA COc1ccc(Cl)cc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O 2089073 MWRWKEKYJFLVMJ-UHFFFAOYSA-N 408.973 2.763 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)c1 6729160 RSKVAWNBFHNSBS-AWEZNQCLSA-N 422.478 2.882 0 50 HFAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2cccnc2)c1=O 11791392 LXIQDUIRDXHWIZ-UHFFFAOYSA-N 410.518 2.546 0 50 HFAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)Cc1cccc(C(F)(F)F)c1 12162977 CHRAVIPQAWQYON-UHFFFAOYSA-N 413.469 2.618 0 50 HFAA C=CCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2 12282810 URTDWYBEGVSHKZ-GOSISDBHSA-N 416.518 2.554 0 50 HFAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1 12702413 MNVKNILQBKZGQO-UHFFFAOYSA-N 411.506 2.635 0 50 HFAA COc1cccc(CN2C[C@@H](C(=O)NCCCc3scnc3C)CCC2=O)c1 14968506 NXGPSRUKYCPOBK-KRWDZBQOSA-N 401.532 2.948 0 50 HFAA CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 17082541 KDSSPBLPLMWQDO-MRXNPFEDSA-N 402.582 2.636 0 50 HFAA Cc1cccc(CN2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@H]2CCO)n1 104635639 PDTQMYMMPFBUPA-JOCHJYFZSA-N 409.509 2.784 0 50 HFAA Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 225655041 GBEHASBWKBDYRQ-IAGOWNOFSA-N 401.308 3.000 0 50 HFAA CCOc1ccc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 227156593 GVYWJTZWOIYTEN-OAHLLOKOSA-N 403.504 2.773 0 50 HFAA COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(C)cc4)N4CCC[C@H]4[C@@H]3C2=O)cc1 245326903 NCPXALZWXBXALK-TUFLPTIASA-N 404.466 2.839 0 50 HFAA C[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1 253428367 CWWVGQXXOAFQRQ-QZTJIDSGSA-N 411.587 2.744 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccn2)CC1 299798158 QDQIAPOWXFWXOZ-JOCHJYFZSA-N 413.493 2.534 0 50 HFAA C[C@@H](C(=O)N(C)c1ccccc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328606547 RYJSAVWNABQCHJ-YGKZAACZSA-N 418.501 2.932 0 50 HFAA Cc1cc(C)c(N2C[C@@H](C(=O)N3CCOCC4(CCOCC4)C3)CC2=O)c(C)c1 784749470 XCVZUVWYBGGXMZ-IBGZPJMESA-N 400.519 2.620 0 50 HFAA CC1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2)CC1 785271445 BMMRITUGUIOHGY-GOSISDBHSA-N 415.534 2.863 0 50 HFAA COC(=O)CCc1cncc(NC(=O)[C@@H](N)c2cc(Br)ccc2OC)c1 952850555 YPVXVNHRPYHOKX-KRWDZBQOSA-N 422.279 2.597 0 50 HFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nc(N)nc3c2CCCC3)cc1 952965998 FVBOGMLIILLFPN-GOSISDBHSA-N 410.518 2.810 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 1506404161 VTLRYIPSRVEIGF-INIZCTEOSA-N 416.971 2.969 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(F)c(OC)c(F)c2)cc1OC 1529153145 QZTCOOGLEVCDSY-RTBURBONSA-N 423.412 2.565 0 50 HFAA Cc1nc(CC(=O)N2CCCN(c3cc(N4CCCCC4)ncn3)CC2)cs1 1772805106 ZAKADAIGLGIZLQ-UHFFFAOYSA-N 400.552 2.513 0 50 HFAA O=C(CCC(=O)c1cccs1)NCCNC(=S)N[C@@H]1CCc2ccccc21 2325826077 NWJVKTVGGWEPGX-MRXNPFEDSA-N 401.557 2.979 0 50 HFAA COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 1062652 CHFXMWMPUJEPDT-UHFFFAOYSA-N 418.515 2.565 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1C 2884510 FEQOJIPLCWTVSA-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)c(=O)nc2sccn23)cc1 4709560 YUMFJHHCGFPYPK-UHFFFAOYSA-N 401.469 2.743 0 50 HFAA COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(OC)c1OC 9111454 HCNCGQUSQQFESV-UHFFFAOYSA-N 422.484 2.978 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)ccc3OC)C2)nn1 11967286 KBIGUUDURCWPOT-KRWDZBQOSA-N 401.511 2.614 0 50 HFAA O=C(NCCCc1ccccc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12003523 MVMUKINKDFECDB-UHFFFAOYSA-N 406.891 2.769 0 50 HFAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1Cl 12003913 VULCNUAZCVIYRH-NSHDSACASA-N 408.863 2.913 0 50 HFAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 12030172 ZPVJJVSZOYBMTI-SFHVURJKSA-N 407.449 2.962 0 50 HFAA COc1ccc(CNCc2cnc3ccccn23)cc1OC[C@@H](O)CN(C)C(C)C 12306520 PFIMEGPAMFHIOZ-FQEVSTJZSA-N 412.534 2.713 0 50 HFAA COc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1 19851160 DRURTNRUFJTHLX-UHFFFAOYSA-N 402.491 2.744 0 50 HFAA biogenic CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cn2ccsc2n1 23338020 KUIGPPJYHRWSEB-UHFFFAOYSA-N 403.596 2.593 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)c1 72437795 NEOBFGKUENWYKX-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CNC(=O)C2)CC1 95531207 UQFAUZKHBPPTRI-FQEVSTJZSA-N 401.551 2.528 0 50 HFAA O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 168068633 VZJGNOPVKAXTPB-BIRZXAFVSA-N 402.494 2.945 0 50 HFAA COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc(C)cc(O)c2)CC1 225838772 RHNOMIUZWCBMFF-UHFFFAOYSA-N 401.463 2.756 0 50 HFAA O=C(CCCn1cccn1)N1CCC2(CC1)CN(c1ncccc1Cl)CCO2 827921412 TYIVCYYKVPWSJQ-UHFFFAOYSA-N 403.914 2.610 0 50 HFAA Cc1cccc([C@H](CC(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)NC(N)=O)c1 914643897 XNXZRXIWCBXLCD-SOTAWHFNSA-N 415.534 2.967 0 50 HFAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCCc1cnc[nH]1 1506425285 DPNSJYAEJMKMJT-UHFFFAOYSA-N 405.427 2.710 0 50 HFAA O=C(c1ccncc1F)N1CC[C@@]2(C1)CN(c1ccc(C(F)(F)F)cn1)CCO2 1857684274 GJLZYGPCOPSYBF-SFHVURJKSA-N 410.371 2.756 0 50 HFAA O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(CN2CCOCC2)cc1 1875262655 JZBALVDJNNGVQS-UHFFFAOYSA-N 417.513 2.900 0 50 HFAA CC(C)c1c[nH][nH]c1=NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1875356616 NHBJCUULSHVVSF-HNNXBMFYSA-N 401.536 2.845 0 50 HFAA C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2cc(F)cc3cccnc23)c2cnn(C)c2)C1 2325709968 XHULDSDBBYZPRM-VLIAUNLRSA-N 409.465 2.837 0 50 HFAA Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2N2CCOCC2)c(Cl)cc1Cl 2325854100 OBPAVVXOFVJPBZ-UHFFFAOYSA-N 419.334 2.981 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9341901 DQRHKBGVGCCPNC-QFIPXVFZSA-N 419.481 2.611 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1 12076703 UYNCVRQWIRCAFV-INIZCTEOSA-N 415.490 2.983 0 50 HFAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(N[C@@H](C)CCO)cnc21 14536486 RZUPLFNCADPOMI-AWEZNQCLSA-N 420.510 2.637 0 50 HFAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(N[C@H](C)CCO)cnc21 14536487 RZUPLFNCADPOMI-CQSZACIVSA-N 420.510 2.637 0 50 HFAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(Cl)cc3Cl)CN2C1=O 14742707 FQROVNLPYUBHMU-GLQYFDAESA-N 413.305 2.629 0 50 HFAA CCN1CCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)CC1 19794987 XHAOCPUZQICJFY-UHFFFAOYSA-N 404.580 2.651 0 50 HFAA CC(C)(C)CN1C(=O)C2(CCN(C(=O)CCCC(N)=O)CC2)Nc2ccccc21 55036434 FGJJBOGGSLWPOY-UHFFFAOYSA-N 400.523 2.508 0 50 HFAA CN(C/C=C/c1ccccc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77452899 MNVJEXCYQVXUJA-GLADZEBCSA-N 415.493 2.535 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cncnc1C 95517043 QFZRIQXQEUZCSA-UHFFFAOYSA-N 400.498 2.925 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 95528619 OPOMVEPBHIDTRY-OAQYLSRUSA-N 410.470 2.817 0 50 HFAA O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239402579 QUPXXFWXUSLVRA-XZNYGTFNSA-N 416.477 2.560 0 50 HFAA C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 253406318 YAYMLDODNYEWLD-FHLIZLRMSA-N 411.468 2.916 0 50 HFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 670473296 OMJYQVYSLCQBPX-LJQANCHMSA-N 406.534 2.588 0 50 HFAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 762998700 CPSRBOVWJSKKQH-HXUWFJFHSA-N 411.408 2.849 0 50 HFAA Cc1nc[nH]c1CN1C[C@@H]2NC(=O)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 952855976 YHDUFCFMGKZJRB-GOTSBHOMSA-N 418.497 2.952 0 50 HFAA COCCc1noc([C@H]2CCCCN2C(=O)c2csc(-c3ncccn3)n2)n1 952986944 LTNZBRBOPQUANI-CYBMUJFWSA-N 400.464 2.539 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 952987894 OPIZBOBCTCDAAH-FQEVSTJZSA-N 410.453 2.976 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2ncc(Cl)cn2)CC1 1857678201 IGJKEJCRRZZGIP-SFHVURJKSA-N 420.872 2.544 0 50 HFAA CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(C(F)(F)F)cc1F 1857695971 GQNWBAPJCUHZBJ-HOTGVXAUSA-N 402.388 2.971 0 50 HFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1Cc1ccccc1 1857707987 DFIQVWBZGXXRKP-LEWJYISDSA-N 407.514 2.657 0 50 HFAA O=C([C@@H](O)CNC1CCCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308731 UGZCMXWZCAYAJL-QHCPKHFHSA-N 405.542 2.794 0 50 HFAA C[C@H](CNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1)c1ccc(Br)cc1 1875330761 ZHLIDYMGLLJVQB-AJKXSBJXSA-N 409.324 2.743 0 50 HFAA COc1csc(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2)c1OC 2325874366 KBNCJYQAKFGDLR-LLVKDONJSA-N 400.250 2.911 0 50 HFAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 686812 RBUJQAIFHTVJHF-UHFFFAOYSA-N 417.878 2.830 0 50 HFAA Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 2880262 DZRUUJYRFXDOAO-OAHLLOKOSA-N 404.488 2.868 0 50 HFAA N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2Cl)CC12CC2 4099036 PNUZDKCDAWUEGK-WCFLWFBJSA-N 409.820 2.703 0 50 HFAA in-man O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccco1)NC(=O)c1ccccc1 5007852 AJAPOZLDDRRELC-ZWUNQBBJSA-N 404.422 2.863 0 50 HFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@@H]2CCCN(c3ncccn3)C2)c1 12034774 LYJHYXDAAIDCAT-NHCUHLMSSA-N 423.561 2.873 0 50 HFAA CC[C@@H](C)CC(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 12035090 PXMNMSVHHDXCGL-WZONZLPQSA-N 422.614 2.950 0 50 HFAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Cc2nonc2C)CC1 12577775 UYYPYZAZBRNYQJ-UHFFFAOYSA-N 405.882 2.989 0 50 HFAA COc1cccc(CCN[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 14535396 BTBVPLDZYOOPDJ-GOSISDBHSA-N 422.529 2.984 0 50 HFAA O=C(NCCc1ccccc1F)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15064793 BNDQJVOGHYQZFC-IBGZPJMESA-N 401.526 2.597 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(C(=O)CCOc3ccccc3)CC2)CC1 19838470 XGTGZPQLTDHSEP-UHFFFAOYSA-N 401.551 2.638 0 50 HFAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCOCC1 19902611 HDSDHYVQCCDXJM-UHFFFAOYSA-N 404.488 2.871 0 50 HFAA Cc1c(C(=O)N2CCN(C)CC2)cnn1-c1nccc(-c2cc3ccccc3o2)n1 19939912 QOUMLYKMHWDFJG-UHFFFAOYSA-N 402.458 2.772 0 50 HFAA Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(C)c1 23128711 BYZFRZZJDMMFSM-UHFFFAOYSA-N 403.530 2.812 0 50 HFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CC(=O)N(Cc2cccnc2)C[C@@H](O)C1 39344657 QRQUANSBYCJWCD-KXBFYZLASA-N 407.436 2.737 0 50 HFAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]3C(=O)NC(=O)[C@@H]3C[C@@H]12 229589310 HLIJZHCIQBBRDH-GBTXKXHNSA-N 415.100 2.562 0 50 HFAA COc1ccc([C@H]2CCCN2CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 248247651 NCKIICZDMBGKNZ-PZJWPPBQSA-N 420.575 2.790 0 50 HFAA COCCn1nnc2ccc(NC(=O)[C@@H](Cc3ccccc3)n3cccc3)cc2c1=O 263587195 DGYHRUXBUIEDDV-OAQYLSRUSA-N 417.469 2.662 0 50 HFAA CO[C@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1Cc1cc(C)no1 1704280495 IEQWSHNEAZFCNQ-KUHUBIRLSA-N 406.866 2.666 0 50 HFAA Cc1nc(C)c(C(=O)N2CCC[C@]3(CO)CCN(Cc4cccc(F)c4)C[C@@H]23)o1 1704303066 DPZGKRRFTHKMNH-DENIHFKCSA-N 401.482 2.920 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4c(C)n[nH]c4C)CC3=O)sc2c1 1857701693 YQZURRFWEWHIHK-ZDUSSCGKSA-N 413.503 2.704 0 50 HFAA Cc1nc(C)c2c(C)c(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)sc2n1 1875252191 KZFPEKUEMLEVJS-LBPRGKRZSA-N 412.479 2.912 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1 1875322917 NLGAUIQEQIEJGA-ZPMCFJSWSA-N 420.465 2.632 0 50 HFAA Cc1cncc(C(=O)NC[C@H]2CC3(CCOCC3)CN2C(=O)c2ccc(C)c(O)c2)c1 1875361658 YCBRPTGPTQAJIN-HXUWFJFHSA-N 423.513 2.845 0 50 HFAA Cc1cc(N2CCC(Nc3ncc(I)c(C)n3)CC2)nc(C)n1 2325825421 PMDHPMXQFYMUTQ-UHFFFAOYSA-N 424.290 2.877 0 50 HFAA C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](C)CN1C(=O)c1ccc2c(c1)OCO2 656400 HANYOQWDACJADG-KBPBESRZSA-N 410.426 2.519 0 50 HFAA COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 1109726 IWKXKBGNIZNYTM-UHFFFAOYSA-N 403.394 2.549 0 50 HFAA Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3Cl)nnc12 8592230 OZWJIKBTFBCLJF-UHFFFAOYSA-N 401.879 2.545 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1 9483580 QMMCINLSCOOUOP-QGZVFWFLSA-N 406.914 2.820 0 50 HFAA O=C(c1nc2sccn2c1CNCC[C@@H]1COc2ccccc2O1)N1CCCC1 11819891 BBDNZSBVLNVRAD-OAHLLOKOSA-N 412.515 2.952 0 50 HFAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)CC1 12302474 LARFIGDROKPRMI-OAQYLSRUSA-N 411.546 2.584 0 50 HFAA COc1cccc(-c2nc(CSc3nc4c(=O)[nH]cnc4n3C)c(C)o2)c1OC 12372654 RJVYGERHTAVYQI-UHFFFAOYSA-N 413.459 2.930 0 50 HFAA biogenic,in-vitro CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17093212 LXLXHBIYWITRBZ-MOPGFXCFSA-N 422.547 2.534 0 50 HFAA CN(CCN1CCCCC1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 19836251 ZTGSCSHWIXURLP-UHFFFAOYSA-N 418.607 2.837 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@H]2CCCO2)[C@H](c2ccncc2)C1 225720056 JKVFALUPIGHNNN-MOPGFXCFSA-N 419.522 2.788 0 50 HFAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 245228029 ZFEPUUSIUPUDIZ-DPDCMNJDSA-N 400.500 2.981 0 50 HFAA O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(=O)N(CCO)Cc1ccccc1 476664739 BTAXDHRNGFUSPB-KRWDZBQOSA-N 412.383 2.957 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccccn1)C[C@H]1CCCO1 952990965 YOEFCFXADGUYBV-QGZVFWFLSA-N 404.488 2.613 0 50 HFAA O=C(c1ccc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)cc1)N1CCOCC1 1506403490 BUJCHPISSZSLAM-HXUWFJFHSA-N 414.527 2.806 0 50 HFAA Cc1nc[nH]c1CN(CCO)C(=O)CCCc1nc(-c2ccccc2Cl)no1 1704304400 DUAAHXSPFAEAOT-UHFFFAOYSA-N 403.870 2.765 0 50 HFAA CN1CCC(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CCc3ccc(F)c(F)c3)C2)CC1 1857692497 HMJQVSQOUZVQQY-QZTJIDSGSA-N 407.505 2.783 0 50 HFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1c(OCc3ccccc3)c(=O)ccn1C)CCC2 2356139921 MQFGXAOWGWUGER-KRWDZBQOSA-N 406.486 2.814 0 50 HFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C1 2356143562 MSCZJYWHBSDSDI-OAQYLSRUSA-N 408.893 2.848 0 50 HFAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 899775 OJBAHCVNWFYEJN-UHFFFAOYSA-N 410.495 2.995 0 50 HFAA CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12 4686455 WJBZMGSKVZYUCP-FQEVSTJZSA-N 412.446 2.528 0 50 HFAA CCCOc1cccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)c1 9190266 LVRZZRLCFDBZHU-UHFFFAOYSA-N 417.531 2.809 0 50 HFAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@@H](O)CN1CCCCCCC1 11841872 DLOBEKFSACBNQK-FQEVSTJZSA-N 408.583 2.809 0 50 HFAA COCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1CC1CCCCC1 12246414 RKLHGWKMGSIIGQ-UHFFFAOYSA-N 400.523 2.900 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 12314539 SPGZFNMHKZQNLA-OAHLLOKOSA-N 415.490 2.828 0 50 HFAA O=C(NCCn1cccn1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 14979474 WZYPPQQEKMKQHS-UHFFFAOYSA-N 423.605 2.809 0 50 HFAA CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 15062291 WCXNCKLAWLULFZ-NRFANRHFSA-N 400.519 2.553 0 50 HFAA Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 15075024 BLKXRGZWORLMSG-HXUWFJFHSA-N 413.493 2.823 0 50 HFAA CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1 15941951 HPJXKVGKOJJICW-UHFFFAOYSA-N 422.463 2.520 0 50 HFAA Cn1cc(CCNCc2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)cn1 20451603 ANZJDGOQWQYWKM-XMMPIXPASA-N 420.557 2.550 0 50 HFAA Cc1nc2ncc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)n2n1 54202036 BALMIILHLXHKLK-UHFFFAOYSA-N 400.490 2.520 0 50 HFAA CC(C)N1C[C@@H](CCN(CCO)CCO)C(c2ccccc2)(c2ccccc2)C1=O 71769357 NMZZSJNIVHAGIM-HSZRJFAPSA-N 410.558 2.516 0 50 HFAA C[C@H]1CN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)C[C@@H](C)O1 229774458 DDROTNVLVLEVTB-BBWFWOEESA-N 402.539 2.918 0 50 HFAA O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)C1 252511845 LDHUIYJYAMRZAX-ROUUACIJSA-N 418.519 2.678 0 50 HFAA NC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1ccnc2ccccc12 253413052 SWQMJXOAWWDHTN-GOSISDBHSA-N 407.470 2.887 0 50 HFAA biogenic COCCn1ccc2c(OCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cccc21 263588563 VTSOZPTWCSPHBS-UHFFFAOYSA-N 417.506 2.746 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)n2)c1 426489328 GYGXXAMDTAEPNA-OAQYLSRUSA-N 414.462 2.511 0 50 HFAA C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C[C@@H](NC(N)=O)c1ccccc1 790206606 NOFCCEMMGGTBFI-HNAYVOBHSA-N 410.474 2.962 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772819560 OYVHCJIMRWRSTA-VGSWGCGISA-N 410.543 2.510 0 50 HFAA C[S@](=O)(CC1CC(N)C1)=NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 2325850887 KMFZHGYBFKSSGR-XRWACCDCSA-N 406.577 2.874 0 50 HFAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 854635 GKEJQDTVMUUINE-UHFFFAOYSA-N 404.488 2.887 0 50 HFAA O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCCCC1 4704111 UVPLPHGTFUZTKW-LJQANCHMSA-N 401.482 2.572 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)c1 6729163 RSKVAWNBFHNSBS-CQSZACIVSA-N 422.478 2.882 0 50 HFAA Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 11661878 PREOAACBLPFIPT-CQSZACIVSA-N 406.533 2.813 0 50 HFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3ccncc3)c2C)n1 12128283 MJWIYLSKSDIJQL-UHFFFAOYSA-N 400.442 2.971 0 50 HFAA COc1ccc(-n2c(CCNC(=O)Cc3c(C)noc3C)nnc2SC)cc1 12243672 CEWFFNYSOVAKOP-UHFFFAOYSA-N 401.492 2.504 0 50 HFAA COc1ccccc1-c1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1 20591398 RWNQNSHRZPHYLF-UHFFFAOYSA-N 406.490 2.704 0 50 HFAA COc1cc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc(OC)c1OC 39557892 RGJNRJGFKJXPMX-QGZVFWFLSA-N 406.548 2.843 0 50 HFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)c1 55326069 GLCOSIIFCJBPNU-INIZCTEOSA-N 400.450 2.979 0 50 HFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2n[nH]c3ccccc23)C1 91794148 LYYPFEYTGFXEEB-KRWDZBQOSA-N 406.490 2.633 0 50 HFAA COCC1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 91872582 HGEIOOHRWUTGNF-QFIPXVFZSA-N 414.594 2.643 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)C1 170620960 KPQWXFLREZJHII-SFHVURJKSA-N 411.502 2.959 0 50 HFAA C[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2n1C 223239487 RMCSAUHZZJMGGX-GYCJOSAFSA-N 418.497 2.857 0 50 HFAA COCCn1ccc2c(NC(=O)C[C@H]3N=C(O)N(Cc4ccccc4)C3=O)cccc21 252540210 PAUOTXPBXZOOIM-LJQANCHMSA-N 420.469 2.941 0 50 HFAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2ccnc2)c2ccccc21 263585137 FMZVXWJRXSLUMA-SFHVURJKSA-N 411.506 2.627 0 50 HFAA biogenic CCOC(=O)Cc1csc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n1 470746879 YAUGOHMIHALVBW-ZDUSSCGKSA-N 411.277 2.953 0 50 HFAA COc1ccc([C@H](CC(=O)NCc2c[nH]nc2C)c2cc3c(cc2O)OCO3)cc1 824654106 IXLJBUHBZXWGSV-KRWDZBQOSA-N 409.442 2.999 0 50 HFAA biogenic CC(C)(C)NC(=O)COc1ccc(-c2nccn2CC2(CO)CCOCC2)cc1 1857667638 ITTRFNKWRQFLPO-UHFFFAOYSA-N 401.507 2.633 0 50 HFAA CCn1c(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)nc2cc(C(=O)OC)cnc21 1857697057 STQPPSSIWOITHK-SJLPKXTDSA-N 416.522 2.773 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356136068 FTUMKEMQXNVWRG-BSRJHKFKSA-N 408.502 2.531 0 50 HFAA CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 863253 MCCAKTLQDIFPEF-UHFFFAOYSA-N 409.877 2.761 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 4807399 UCDGFAPTBNKJGD-UHFFFAOYSA-N 415.559 2.781 0 50 HFAA Cc1cc(C(=O)N(Cc2cccc(OCCN(C)C)c2)Cc2ccccn2)n(C)n1 11785988 VUOXWXHPUZWYDQ-UHFFFAOYSA-N 407.518 2.907 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccc2C)c(C)c1C 12385289 PGLTVBGXASLPLR-OAQYLSRUSA-N 409.530 2.627 0 50 HFAA O=C(NCCc1ccccc1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12470042 AUIOBZGVQFUTJS-QGZVFWFLSA-N 407.561 2.691 0 50 HFAA C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 13005648 HBFGQICDFPBCHF-CQSZACIVSA-N 408.907 2.852 0 50 HFAA COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1 14887265 SIUINDDBPKQYEM-VQTJNVASSA-N 418.534 2.513 0 50 HFAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 18087737 XDEJTGYOVZXNMN-LJQANCHMSA-N 418.453 2.773 0 50 HFAA CN(C)CCn1ccc(-c2cccc(-c3ccc(C(=O)N4CCOCC4)cn3)c2)n1 20201901 XLEFZEWIIPXFKA-UHFFFAOYSA-N 405.502 2.646 0 50 HFAA Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccn1 44803302 RPEQCZGVPGPZSP-UHFFFAOYSA-N 424.526 2.508 0 50 HFAA CC1CCN(c2ccc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)n2)CC1 61718541 WVSLYTWMZAQXNW-UHFFFAOYSA-N 408.546 2.961 0 50 HFAA COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(CC(N)=O)C2 67446708 XXASGGNIUBWSDN-UHFFFAOYSA-N 407.470 2.907 0 50 HFAA CCN(CC)c1ccc(C(=O)N2CCC[C@H](n3cc(-c4noc(C)n4)nn3)C2)cc1 169777889 YRYGAABFENUJJQ-SFHVURJKSA-N 409.494 2.960 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)c4nn(C)c5ccccc45)CC3)n[nH]c2=O)cc1 169779744 VEVIALTURLNRGC-UHFFFAOYSA-N 416.485 2.776 0 50 HFAA CCc1ccc(CNC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1 169780911 SJIBJHXYCZDKOP-UHFFFAOYSA-N 421.497 2.780 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 170603531 MNKQRHUWFBDNEP-ZVYLKZBJSA-N 411.506 2.531 0 50 HFAA Cc1c(Sc2nnc(N3CCOCC3)s2)nn2c(C(F)(F)F)nnc2c1C 301925215 IKIAGDKECXWJKG-UHFFFAOYSA-N 417.442 2.599 0 50 HFAA Cc1cccc2nc(CNC(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)n(C)c12 434356813 YSHMWELWEGVGIB-GOSISDBHSA-N 420.513 2.816 0 50 HFAA Cc1ccc([C@@H](NC(=O)NCC2(CN(C)C)CCCC2)[C@@H](C)S(C)(=O)=O)cc1 437852968 VVIDXFSJIWCGLY-MJGOQNOKSA-N 409.596 2.890 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NCCN3CCc4ccccc4C3)o2)c1C 1506416077 DQFIZYDAZCGSRA-UHFFFAOYSA-N 401.488 2.888 0 50 HFAA Cc1cccnc1CN1CCN(S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)CC1 1506422566 QMPFVZQUDCSZBB-UHFFFAOYSA-N 416.503 2.761 0 50 HFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CO)C1 1772810442 GRJOUBXXOLKFDN-VBKZILBWSA-N 416.934 2.844 0 50 HFAA COC(=O)[C@H](CC(C)C)NC(=O)CC1(c2oc(C)cc(=O)c2O)CCSCC1 1776111554 FAEFTHHURGVHOG-AWEZNQCLSA-N 411.520 2.513 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1)C2 1857688064 RIALLCZUEUHDRJ-ZRCGQRJVSA-N 400.519 2.583 0 50 HFAA O=C(Cc1ccccc1O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857716610 DTAGMDLHYNRIKM-DEOSSOPVSA-N 416.481 2.999 0 50 HFAA CN(C)c1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cc1 1857736583 STHQPVINJOMRCT-VXKWHMMOSA-N 411.550 2.554 0 50 HFAA COc1c[nH]c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1=O 2325824414 AEEHUJVIBUYURJ-UHFFFAOYSA-N 402.804 2.773 0 50 HFAA CC[C@H](C)CC(=O)N1CCC[S@@](=O)(=NC(=O)c2nn(C)c3c2CCCC3)CC1 2332238389 QERAGXQJSKFXHF-HBIPHATFSA-N 408.568 2.576 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(N2CCCCC2)CC1 2356147918 YJZCRWDCXFIVBQ-UHFFFAOYSA-N 403.592 2.990 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)o1 1019088 CIKJNLYXGYBAPI-UHFFFAOYSA-N 423.248 2.885 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Br)cc1 1173682 VSIUVFARQUCQQT-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N([C@H](C)c3ccccc3)C2=O)c1 3612140 YPDNOLKVOHTGCF-BLVKFPJESA-N 421.375 2.997 0 50 HFAA O=S1(=O)N=C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc21 5050962 KISYXLIOQQELRC-UHFFFAOYSA-N 419.528 2.812 0 50 HFAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSc2nnc(N)s2)C1 11934379 YHGRYEPCBGJNCG-MRXNPFEDSA-N 419.620 2.934 0 50 HFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(OC)o1 11934582 VHIYSWWWEATYKJ-LJQANCHMSA-N 407.555 2.573 0 50 HFAA Cn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c2ccccc21 12200800 RENVESKHUDHCJT-MRXNPFEDSA-N 421.501 2.827 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)c3cn4c(C)cccc4n3)C2)cc1 12316540 VFWRUGUIQIVDAG-LJQANCHMSA-N 420.513 2.862 0 50 HFAA COc1ccc(-c2nc(CSc3nc4c(=O)[nH]cnc4n3C)c(C)o2)cc1OC 12372638 YORPMRGBVBGCRG-UHFFFAOYSA-N 413.459 2.930 0 50 HFAA biogenic,in-vitro CSc1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380930 WXIHUMDEMQGBQA-ZDUSSCGKSA-N 422.528 2.973 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 12440418 YGEKWVMHVQONPY-KRWDZBQOSA-N 401.532 2.600 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ncccn2)CC1 12582838 HTHQTTGSZQJNSC-OAQYLSRUSA-N 424.593 2.860 0 50 HFAA COc1cccc(CNCc2cccc(Cl)c2)c1OC[C@@H](O)CN1CCOCC1 14948017 ALIZKHJXNBDXAT-FQEVSTJZSA-N 420.937 2.710 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(C)cc1 15061626 XXWNNHQYDJKODH-IMAOXBOFSA-N 421.541 2.866 0 50 HFAA CCN(CC)C[C@H](O)COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC 23373563 PHCKJGYNXJZOIM-QFIPXVFZSA-N 419.610 2.837 0 50 HFAA O=C(NCCc1ccncc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55386307 XUKLKNGKHTXDIF-UHFFFAOYSA-N 409.465 2.503 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 67613031 DRKPRLNRHVFBGD-UHFFFAOYSA-N 412.881 2.595 0 50 HFAA CC(=O)N[C@H]1CCN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)C1 91931308 DPEDYKKDRUQQFV-ZDUSSCGKSA-N 400.460 2.522 0 50 HFAA CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)CN1CCC[C@H](CCC(N)=O)C1 225514022 GZLMZPRBQWCIEA-MJGOQNOKSA-N 404.555 2.743 0 50 HFAA Cc1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239274708 APKHLRUSDPHXPT-NQLMQOPMSA-N 404.388 2.901 0 50 HFAA O=C1N[C@H](C(=O)NCCN2Cc3ccccc3O[C@@H](c3ccsc3)C2)CS1 299788649 YZQIKAFTPWWGKE-DOTOQJQBSA-N 403.529 2.625 0 50 HFAA COc1nc2c(cc1C(=O)N[C@@H]1COc3ccccc3C1)C(=O)N(C1CCCC1)C2 426701326 AWCGEHOMZMFXET-HNNXBMFYSA-N 407.470 2.722 0 50 HFAA COc1cc2c(cc1OC)[C@H](NC(=O)CC[C@H]1NC(=O)N(c3ccccc3)C1=O)CC2 886025145 ALCJMPQXJKFHLG-QZTJIDSGSA-N 423.469 2.713 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(c3ncccc3C(=O)N(C)C)CC1)OCC2 1704336854 SJMQIWWHAGOMAG-UHFFFAOYSA-N 411.502 2.869 0 50 HFAA O=C([C@H]1CC[C@H](O)CC1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940197508 VQFVUDLOMJZCDP-JCNLHEQBSA-N 408.502 2.602 0 50 HFAA COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)c(OC)c1 1120227 RSAIEEAEQWONID-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc(N)cc(=O)[nH]3)sc2c1 4385484 BHBJKAMCDTUMSR-NSHDSACASA-N 405.505 2.870 0 50 HFAA COCCOC1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1 11767992 JNSKKBPUOWXAGU-OAQYLSRUSA-N 406.567 2.540 0 50 HFAA Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)no1 12710398 KXWDQZVZAUZFIR-CQSZACIVSA-N 411.911 2.776 0 50 HFAA COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 17332927 PBJMBZHVOUZZLN-FQEVSTJZSA-N 407.514 2.701 0 50 HFAA COc1cccc(OC)c1-c1cnnc(N2CCCC[C@@H]2CCN2CCOCC2)n1 19220563 DXZIPMATPOMPCP-QGZVFWFLSA-N 413.522 2.637 0 50 HFAA COC[C@@H]1CCCCN1C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19841039 GSFYEBDKODTJSO-FQEVSTJZSA-N 412.534 2.634 0 50 HFAA O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1cccc2nonc12 22752262 WAVQLBXESCAODE-UHFFFAOYSA-N 419.407 2.998 0 50 HFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608493 IYURHZUYXIXNEO-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)n1 55042211 LRAJKAAQJRQKSA-MRXNPFEDSA-N 424.929 2.593 0 50 HFAA O=C(NCC1CCNCC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82107185 HIRLMPOTUSVEON-QHCPKHFHSA-N 412.622 2.521 0 50 HFAA Cc1nc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)cs1 82120999 NKCHCIGXTGOBHU-IBGZPJMESA-N 413.591 2.839 0 50 HFAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)N3CCCC3)CC2)c1 95502506 YSPGDIPRMLUGCO-UHFFFAOYSA-N 401.507 2.990 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3cccc(OC)c3)CC2)nn1 247872603 FFPUYXQVSPFTNU-HDICACEKSA-N 413.522 2.611 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 253410917 NYCIXQRVEYXLSB-HFJQGTKSSA-N 413.518 2.779 0 50 HFAA biogenic COC(=O)c1cn(Cc2ccc(-c3nc4ncccc4o3)cc2)cc2c(=O)[nH]nc1-2 263587975 NSHROABQQGEQKV-UHFFFAOYSA-N 401.382 2.714 0 50 HFAA Cc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 299759247 DEJDQUXJUQTORB-UHFFFAOYSA-N 416.529 2.952 0 50 HFAA C[C@]1(c2ccc(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)cc2)NC(=O)NC1=O 439173080 XDNDUTGLVZZFGL-CTUHWIOQSA-N 403.482 2.652 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)CC3 491565078 SBXFCNURNJHLDF-GYCJOSAFSA-N 416.481 2.818 0 50 HFAA CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[C@H](O)c1ccccc1 749711117 MMGPMAXLYLNNGH-DOTOQJQBSA-N 403.410 2.571 0 50 HFAA CCc1cc(N2CCC(c3nnc4n3CCCCC4)CC2)nc(N2CCOCC2)n1 1529099371 WKOVOONFDBGISH-UHFFFAOYSA-N 411.554 2.578 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1nc(C(C)C)cs1)C2 1857685646 NPJCIAGRBQNGBS-BDQBCWGISA-N 403.552 2.573 0 50 HFAA C[C@H](NC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)[C@@H](C)n1cncn1 1875257474 OECKKPIPVFDOGS-UONOGXRCSA-N 411.487 2.975 0 50 HFAA CCn1nccc1[C@H](C)NS(=O)(=O)c1cnc(NCc2ccns2)c(F)c1 1875335723 DPJIJUKXNJZLJR-NSHDSACASA-N 410.500 2.545 0 50 HFAA Ic1cc2c(NC[C@@H]3CN4CCC[C@@H]4CO3)ncnc2s1 1875341323 OXIPFLFOUUUEIA-NXEZZACHSA-N 416.288 2.571 0 50 HFAA COc1cc(-c2cc(=NC(=O)c3c(F)cccc3OC)[nH][nH]2)cc(OC)c1OC 2356168612 KRAUVHKFAUIGJL-UHFFFAOYSA-N 401.394 2.924 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 682743 SASHTONFJSWURO-MTGKDYNDSA-N 422.481 2.937 0 50 HFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1 913316 RXDJQDFQBITAJU-QGZVFWFLSA-N 400.387 2.698 0 50 HFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1nc(-c2ccccc2)cs1 1148716 RIZGSOQCIKJJRT-UHFFFAOYSA-N 413.480 2.983 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cn(Cc3ccc(F)cc3)nn2)[C@H](C)C1 11844324 USIDENWBORGOBN-MRXNPFEDSA-N 409.465 2.825 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1 12306409 RPNOBXJQGCUBSL-UHFFFAOYSA-N 415.563 2.727 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2OC)CC1 12709766 DWCZVDHZOBETRD-NRFANRHFSA-N 404.551 2.604 0 50 HFAA Cc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3c(C)noc3C)C2)cn1 14537574 RPUUVNDNPPCJHA-LJQANCHMSA-N 414.506 2.521 0 50 HFAA COc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5sccc5nc34)CC2)c1 16607140 SUQLWKKAHFFHBB-UHFFFAOYSA-N 420.494 2.880 0 50 HFAA O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(F)c1 18271296 DZDMTDNGEVRJIH-KRWDZBQOSA-N 410.474 2.890 0 50 HFAA O=C(NCCN1CCOCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 33364293 HTCZDIAMROOUIB-CAPFRKAQSA-N 413.905 2.559 0 50 HFAA Cc1nc2cc(C(=O)N3CCc4nnc(CCc5ccccc5)n4CC3)ccc2[nH]1 67834151 CDPBCZKGAYZGBX-UHFFFAOYSA-N 400.486 2.947 0 50 HFAA Cc1ccn(CCNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)n1 91746791 LAHZNMVRRZAVIX-UHFFFAOYSA-N 406.273 2.602 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(OC)c(F)c4)c2=O)CCCCC3)no1 169763971 DDSHTJODLREZLR-UHFFFAOYSA-N 414.437 2.545 0 50 HFAA CS(=O)(=O)C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccccc1 170610338 LOXCAWMMTNREAT-CQSZACIVSA-N 416.268 2.810 0 50 HFAA O=S(=O)(c1ccccc1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]2[C@H]4[C@H]3[C@H]1S(=O)(=O)c1ccccc1 257358397 TZPCLZUPDDCCKU-LWSMQNBSSA-N 400.521 2.813 0 50 HFAA COc1ccccc1COC1CCN(c2cnn(C)c(=O)c2Br)CC1 301933165 NHBDKIROONOUKK-UHFFFAOYSA-N 408.296 2.737 0 50 HFAA COc1nc2c(cc1C(=O)N1C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C1)CCC2 1616084910 VBWUWZLKUUFOBF-JTSKRJEESA-N 403.482 2.803 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(OC)c1)C2 1857693661 GPHAZGJJJYHPHE-ZFGGDYGUSA-N 416.562 2.951 0 50 HFAA O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H](CO)c1cc(F)c(F)c(F)c1 1875253044 CAXQUOGHVPHQBG-GOSISDBHSA-N 404.392 2.865 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CN1C(=O)OC(C)(C)C 1875305605 FZXQEDXPAYWHMI-LAVFITLUSA-N 417.506 2.940 0 50 HFAA CC1(C)CN[C@H](CC(=O)NCC[C@@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)C1 1875359085 TZKVIELDBCZHNQ-HZPDHXFCSA-N 419.533 2.873 0 50 HFAA COc1cccc(/C=C/C(=O)Nc2cccc(COC(=O)c3cnc[nH]c3=N)c2)c1 2325720038 DIKNISYRDDYEHH-CMDGGOBGSA-N 404.426 2.907 0 50 HFAA COc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc(OC)c1OC 849938 YIANTSGWYJQGIZ-UHFFFAOYSA-N 404.507 2.967 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 1027626 KDHHKCNGUDUBIZ-UHFFFAOYSA-N 411.436 2.724 0 50 HFAA COc1ccc(OC)c(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)c1 1142707 KKGJLLDVZBKHDT-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 4164666 UYRFCBZILYXXIW-XEZPLFJOSA-N 416.377 2.566 0 50 HFAA COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc2ccccc12 5068213 DSAFETTUNFGJDC-FQEVSTJZSA-N 417.465 2.818 0 50 HFAA CC(=O)NCC(=O)NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 12127662 QDSTVGLNYDYDSX-KRWDZBQOSA-N 408.376 2.808 0 50 HFAA COc1cc(C(=O)NC[C@@H]2COCCO2)ccc1OC1CCN(C2CCCC2)CC1 12718667 RAXNDUKTMUZXLM-HXUWFJFHSA-N 418.534 2.626 0 50 HFAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(CN3CCCCC3)C2=O)cc1 54360501 YZBXIWVRPZDKCR-INIZCTEOSA-N 419.503 2.699 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)nc(N2CCOCC2)n1 64800205 WHDJEHIQEHFWHH-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA COCCN(C)CCN1CC2(CCN(Cc3cc(C)c(C)cc3C)CC2)OC1=O 72430537 HATFFOBASHJNON-UHFFFAOYSA-N 403.567 2.977 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCN[C@H](C)C2)c1 95496505 QLQOEIGVKRHCEM-QGZVFWFLSA-N 401.551 2.915 0 50 HFAA C[C@H](NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1)c1ccc(S(N)(=O)=O)cc1 241869091 SUIXVCYZXCAEKA-IYOUNJFTSA-N 407.561 2.798 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(Cl)cc21 334162166 OGTBQJKAZNQWOT-QGZVFWFLSA-N 410.861 2.552 0 50 HFAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H](c1cccnc1)N1CCOCC1 952968730 CZPWNIPOFYPHRV-NRFANRHFSA-N 421.501 2.862 0 50 HFAA CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CCc2cccc(O)c2)c1 952988406 NYTKZJYDYBQHML-SFHVURJKSA-N 402.516 2.928 0 50 HFAA Cc1ccc2cc(-c3nccn3CC[C@@H]3CNCCO3)c(N3CCOCC3)nc2c1 1857673641 WWRQFVOGZMTWPD-LJQANCHMSA-N 407.518 2.622 0 50 HFAA Cc1cc2c(cc1-c1nccn1-c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)OCO2 1857685108 CFNLPXAQOAPCSD-HNNXBMFYSA-N 414.487 2.749 0 50 HFAA Cc1ncnc(C)c1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696596 INCXHNIOJXIHKH-QHCPKHFHSA-N 416.485 2.771 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(F)cc(F)c2)C1 1857707402 QVCQNFBHPXSUKO-RZFNWQHOSA-N 421.532 2.794 0 50 HFAA Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)CCCc4ccccc4)[C@H]4CC[C@]3(C2)O4)n1 1857732029 YVBCNCYECLAPEG-FBHSLPMESA-N 406.530 2.908 0 50 HFAA O=C(Nc1ccc(Oc2ncccn2)cc1)C(=O)N1CCN(Cc2cccs2)CC1 1875254235 YDZZPWIKVXMLAA-UHFFFAOYSA-N 423.498 2.613 0 50 HFAA O=C(CN(CCO)Cc1ccc(Cl)cc1)NC[C@H]1CCN(c2ccccc2)C1 1875262862 ORUOWARTVBUIJY-LJQANCHMSA-N 401.938 2.777 0 50 HFAA C[C@H](OC(=O)/C=C/c1cncs1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 1875264874 ZNJLWSHRVOHLPQ-MJIXDGDESA-N 403.504 2.883 0 50 HFAA O=C1O[C@@H](C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)Cc2cccc(Cl)c21 1875340679 MSIBDHLUGQCUIC-CYBMUJFWSA-N 404.213 2.894 0 50 HFAA COCC(COC)Cc1nc(-c2cc(F)cc(F)c2)nn1-c1cccc(C(N)=O)c1 1875348050 GVGSSVWIPZCDBH-UHFFFAOYSA-N 416.428 2.763 0 50 HFAA CCOc1ccc(-n2nc([C@@H]3CCCO3)nc2-c2cn([C@@H]3COC[C@@H]3F)nn2)cc1 1875349289 SKUHJVHPXQSLSL-JQHSSLGASA-N 414.441 2.685 0 50 HFAA COC[C@]1(C(=O)N[C@@]2(C(=O)O)CCc3cc(Br)ccc3C2)C=CCC1 2325829523 LOHXYGCXBMBUGP-OALUTQOASA-N 408.292 2.860 0 50 HFAA Cc1ccc(CNc2cccc(C(=O)N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)c2)cc1 2356146700 QSSHTXXFTNFQON-VXKWHMMOSA-N 410.514 2.724 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1Cl 797066 DYIXMTLVKPAEDE-ZDUSSCGKSA-N 412.895 2.659 0 50 HFAA COc1ccc(-n2c(CNC(=O)c3cc(OC)cc(OC)c3)nnc2SC)cc1 11908940 QCOORGJKYCEVFJ-UHFFFAOYSA-N 414.487 2.945 0 50 HFAA Cc1ccc(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)c(F)c1F 12430218 JEQAVKFDFDYHGS-IBGZPJMESA-N 406.473 2.635 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 12716383 JTURFYKVZJKCMU-QGZVFWFLSA-N 413.497 2.922 0 50 HFAA COCCn1c(CN(C)Cc2cc(C3CC3)n[nH]2)cnc1S(=O)(=O)CC(C)(C)C 15067745 FJVPAOQRHPETRI-UHFFFAOYSA-N 423.583 2.582 0 50 HFAA O[C@H](COCc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19309372 UHQXMYLPHSPWLQ-FQEVSTJZSA-N 418.921 2.764 0 50 HFAA COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)c1 20024764 HEARNHWBPOUIFW-UHFFFAOYSA-N 419.407 2.811 0 50 HFAA C[C@@H](CC(F)(F)F)N1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1 20406550 WGFFMMVCINHHJI-AWEZNQCLSA-N 410.440 2.504 0 50 HFAA CN(CC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 20907983 ALFNXZFBYYLKMB-JOCHJYFZSA-N 403.473 2.635 0 50 HFAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C 23128693 HDTVWMMNRCPVCD-UHFFFAOYSA-N 418.545 2.629 0 50 HFAA O=C1[C@H]2[C@@H](c3ccc(Br)cc3)N3CCCN3[C@H]2C(=O)N1c1ccccc1 136731831 WFRSXQCBXDKKBP-RCCFBDPRSA-N 412.287 2.985 0 50 HFAA COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(c2ncccn2)CC1 169681428 KKZSMCYCCITKIF-UHFFFAOYSA-N 407.518 2.836 0 50 HFAA O=C(c1n[nH]c2ccccc2c1=O)N1CCO[C@H](c2ccc(Br)cc2)C1 170625164 CYEWFJBSYURIAM-INIZCTEOSA-N 414.259 2.899 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCc1nccs1 252536961 JYMHSHDBKBMLII-CQSZACIVSA-N 406.895 2.560 0 50 HFAA Cc1nc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(OC(F)F)cc1 261490649 SAYUUTRNHIBWAS-UHFFFAOYSA-N 422.413 2.833 0 50 HFAA COc1ccc(CNC(=O)C2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 472327451 NSBKKXZTCQNPDD-UHFFFAOYSA-N 416.909 2.711 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(CCc3nccn3C)C[C@@]2(CCc2ccccc2)C1 1772712874 SPQRGPWFBGKAEH-REWPJTCUSA-N 412.603 2.719 0 50 HFAA Cc1nc(CN2CCOC3(CCN(c4noc(C5CC5)n4)CC3)CC2=O)sc1C 1857690779 SODCGQAFOHWCNK-UHFFFAOYSA-N 417.535 2.808 0 50 HFAA NCc1nc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)co1 1857707749 ZNBUPRQMROYVOL-IBGZPJMESA-N 412.534 2.845 0 50 HFAA C[C@]1(C(F)F)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1I 2325877563 UOGOLBFMKYQZCD-HNXYLICVSA-N 409.170 2.824 0 50 HFAA O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)N1 1152243 NCMBWTOJTUAXPU-RIYZIHGNSA-N 417.215 2.907 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1OC 1202793 JALFOTYFKWYYAT-UHFFFAOYSA-N 418.515 2.517 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(=O)c2ccccc2o1 8606750 KRELCLYUIDSVBY-UHFFFAOYSA-N 422.422 2.636 0 50 HFAA CC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)CC)n2CCc2ccccc2)CC1 11663258 KEHZLJLSEVYIMQ-OAQYLSRUSA-N 419.591 2.902 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O 12304099 DNEXSHTYGNPOBR-FQEVSTJZSA-N 403.542 2.941 0 50 HFAA COc1cccc([C@@H](C)NCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)c1 12429709 PCTAPUYAWPMULP-QGZVFWFLSA-N 408.502 2.975 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 12433534 UQTIVDCLNHITRW-INIZCTEOSA-N 414.531 2.762 0 50 HFAA C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 13659232 ABYOYJMERLCWPS-CYBMUJFWSA-N 420.498 2.835 0 50 HFAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCc1cccs1 15072054 PMQOYMZHUQNZTR-OAQYLSRUSA-N 400.500 2.807 0 50 HFAA CN(C)[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 20452349 XNTAFWVCOBPZQV-LJQANCHMSA-N 408.612 2.783 0 50 HFAA COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)C2CCCC2)CC1 20782576 JRUWEMZMUZIUNT-UHFFFAOYSA-N 417.550 2.547 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(NC(C)=O)cc3)n2)c(F)c1 49551796 SSHMFWCUNYHHKW-UHFFFAOYSA-N 410.405 2.655 0 50 HFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(CSC)o1)CC2 95517672 MKVXPQNZHQMDAL-UHFFFAOYSA-N 402.520 2.792 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 100652115 GJVZDPOWAADTNV-UGKANONSSA-N 409.482 2.861 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3cccs3)C(=O)C2)c1C 170597076 HXACDWNZHHWOGS-CQSZACIVSA-N 403.504 2.790 0 50 HFAA COc1ccc([C@H]2[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC(=O)N2C)cc1 334160438 DTRVTOSHDNJFMC-UZLBHIALSA-N 414.458 2.879 0 50 HFAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C(=O)NCC1CC1)CC2 472796566 SSVPRFWIVWJYIC-LJQANCHMSA-N 400.500 2.766 0 50 HFAA Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)OCCN1CCCS1(=O)=O 791577958 ZQOMXHLHELBRNJ-UHFFFAOYSA-N 418.393 2.861 0 50 HFAA Cc1ccc(OCc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1C 951726550 AVYXQQNTCFATKK-AWEZNQCLSA-N 421.548 2.521 0 50 HFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)c1 952972614 TWMOBEUMKLCFQQ-MRXNPFEDSA-N 400.523 2.615 0 50 HFAA CCCCc1ncc(CN2C[C@@H]3CN(c4ncc(Cl)cc4F)C[C@]3(CO)C2)[nH]1 1772813928 BKTZQKUPRMMCMJ-VLIAUNLRSA-N 407.921 2.871 0 50 HFAA O=C(CCCn1cccn1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857700729 KTDCLWKTXLGOBG-HSZRJFAPSA-N 418.501 2.728 0 50 HFAA C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1I 2325877564 UOGOLBFMKYQZCD-PWZJLYFZSA-N 409.170 2.824 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cnc4cnn(C)c4c3)CC1)OCC2 2356150387 ZVQMOWFSSRZTJD-UHFFFAOYSA-N 422.485 2.690 0 50 HFAA CCOC(=O)c1c(C)n(C[C@H](COC(C)=O)OC(C)=O)c2ccc(OC(C)=O)cc12 2816573 PJXRBLWGFLZKLA-QGZVFWFLSA-N 419.430 2.547 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 4471091 XLDKCIKCEGQUOI-FXFXYLOPSA-N 410.520 2.860 0 50 HFAA CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 4838957 ZMYOBPATWDHAGG-MRXNPFEDSA-N 420.531 2.809 0 50 HFAA CC(C)Oc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCc2ccccc2)cc1 6743650 JOWHQYNVXMXSBU-FQEVSTJZSA-N 410.470 2.548 0 50 HFAA CCn1ncc(-n2c(S)nnc2CCn2nc(C)c(Br)c2C)c1C 8339741 SWOLARRSTBXFIG-UHFFFAOYSA-N 410.345 2.899 0 50 HFAA COc1ccc(-n2c(CCNC(=O)[C@H]3CCOC(C)(C)C3)nnc2SC)cc1 11912626 LSOXMCULYZECTA-AWEZNQCLSA-N 404.536 2.862 0 50 HFAA COc1ccc(CN2CCC(CO)CC2)cc1OC[C@@H](O)CN1CCCCCCC1 12314921 JUAYJPRHHAJPHP-QFIPXVFZSA-N 420.594 2.905 0 50 HFAA Cc1nnc(SCCNC(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)s1 12316032 VGCPBAFTGAEOSV-UHFFFAOYSA-N 412.903 2.801 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cc(F)ccc2F)c1=O 12450278 RKDFCGOJNAQXSS-UHFFFAOYSA-N 403.429 2.921 0 50 HFAA COc1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1OC1CCN(C(C)C)CC1 12612948 CMHKDXPVBAWPAE-SFHVURJKSA-N 405.539 2.577 0 50 HFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc(=O)n(C)n2)CC1 12761010 IBKQUYQRBBZNAK-UHFFFAOYSA-N 411.502 2.589 0 50 HFAA COc1c(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc(Cl)c1Cl 16577940 UTZPROCIGFCNQG-UHFFFAOYSA-N 402.303 2.908 0 50 HFAA Cc1cc(=O)oc2c(C)c(OC[C@@H](O)CN3CCN(c4ccccc4)CC3)ccc12 20735006 NPJLYMXKTVCSMZ-FQEVSTJZSA-N 408.498 2.972 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCC[C@@H]1O 72437020 SENDCFQKZWPBNH-SJORKVTESA-N 414.593 2.691 0 50 HFAA CC[C@]1(C(=O)c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)N1CCOCC1 229906878 PIXYVSJLFROAAR-CTUHWIOQSA-N 405.450 2.827 0 50 HFAA C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248165594 RHNLCSAJEYDXQE-ZXFNITATSA-N 400.475 2.545 0 50 HFAA COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@H]2O4)cc1 252346992 PLXPCTVJFVJIRG-URFJDIBFSA-N 406.438 2.629 0 50 HFAA O=S(=O)(c1ccccc1)n1c(I)cc2cnc(Cl)nc21 261506981 DEEWPNAEVIKCNE-UHFFFAOYSA-N 419.631 2.926 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cncc3ccccc23)C1 328606766 SXZMPJHAUMPGRY-FQEVSTJZSA-N 419.529 2.590 0 50 HFAA O=C(CCn1nnc2ccccc2c1=O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334161184 VYIXBOXKPDKUGV-JOCHJYFZSA-N 424.464 2.964 0 50 HFAA CCc1nnc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)o1 426550352 DQIXRGJYCSOHJR-UHFFFAOYSA-N 401.492 2.787 0 50 HFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCN=c3cc[nH]cc3C)cs2)n1 825285682 GGPNPUSSOCEONI-UHFFFAOYSA-N 410.425 2.623 0 50 HFAA COCCc1noc([C@H]2CCCN(S(=O)(=O)c3cc(C)c(F)cc3Cl)C2)n1 1506413217 IPLLNHAODOFJNE-LBPRGKRZSA-N 417.890 2.928 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 1506415792 ADMSZPZJAKCGCH-UHFFFAOYSA-N 404.507 2.506 0 50 HFAA COc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)ccc1F 1857687492 UJBCJAFAQSEBEF-SFTDATJTSA-N 416.497 2.636 0 50 HFAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c(F)c1 1857721639 ZADODHJIRLFGDZ-SFTDATJTSA-N 400.498 2.936 0 50 HFAA COc1ccc(C(=O)N=[S@@](C)(=O)CC2CN(C(=O)Cc3ccc(C)cc3)C2)cc1 1875302336 LOHQADNGHORPIO-LJAQVGFWSA-N 414.527 2.943 0 50 HFAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(C(=O)c1nc(=O)n(C)[nH]1)CC2 2100482317 QHXFYBYILKRKLN-HXUWFJFHSA-N 422.485 2.694 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2812859 XPYGQDCWPUUOMS-UHFFFAOYSA-N 402.472 2.520 0 50 HFAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 4810367 REZALOGIYYCXLH-UHFFFAOYSA-N 401.213 2.834 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697577 WMDUGRFUMKOGGB-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COCc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 11821448 QAZWPSAQBZDDBH-LJQANCHMSA-N 401.482 2.992 0 50 HFAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC1(c2ccccc2)CC1 11873650 TXCULEPDUJXKRI-FQEVSTJZSA-N 407.514 2.581 0 50 HFAA COCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C1CCCCCC1 12198623 CCCXZIRTIFXZCG-UHFFFAOYSA-N 413.584 2.637 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12594459 LYVXVNSNJQHPLD-JOCHJYFZSA-N 405.542 2.629 0 50 HFAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2ccccn2)C3)cc1 14539415 OBOMMUHFXLGFRW-UHFFFAOYSA-N 419.529 2.790 0 50 HFAA CC1=C(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)OCCO1 15079251 FYVDJEVNRMMLAC-OAQYLSRUSA-N 406.429 2.584 0 50 HFAA CCOC(=O)c1nn(CCO)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2 20820327 IIMBFDZKGVPNEB-UHFFFAOYSA-N 412.515 2.734 0 50 HFAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(Cc1cnc(N3CCOCC3)s1)CC2 20999058 GMXUCSDMDWBWCF-UHFFFAOYSA-N 422.554 2.904 0 50 HFAA CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccccc2O1 40414458 OQWZIAVXCYIZNN-NRFANRHFSA-N 408.458 2.796 0 50 HFAA in-vitro Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n(C)n1 55228700 VILMTTGYOUTYKM-IBGZPJMESA-N 401.942 2.809 0 50 HFAA Cc1nonc1CN1C(=O)c2cccc(N3CCN(Cc4ccsc4)CC3)c2C1=O 64045089 FOHQNQKJXSUVHO-UHFFFAOYSA-N 423.498 2.558 0 50 HFAA Cc1ccc(-n2cnnc2S(=O)(=O)CC(=O)NC2CCCCCCC2)c(C)c1 170626557 CVSZWWBPQYBJIU-UHFFFAOYSA-N 404.536 2.887 0 50 HFAA CN1C(=O)C[C@@H](CNC(=O)c2ccc(Cl)cc2OCCCN)c2ccccc21 299760281 ISYIUWJTFYEFTH-AWEZNQCLSA-N 401.894 2.948 0 50 HFAA N=c1ccc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)Cc2cccs2)C3)c(Cl)[nH]1 2325825109 DTGRQNRBZWJMKQ-STQMWFEESA-N 404.923 2.657 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC[C@H]1[C@H]1CCN(C(=O)c2cncc3nc[nH]c23)C1 2332239578 QRQHSMFBXLCMJV-YWZLYKJASA-N 419.485 2.739 0 50 HFAA O=C1c2ccccc2C(=O)N1c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 2462473 PTQOTCJRMLKDIA-MRXNPFEDSA-N 414.421 2.672 0 50 HFAA CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1 4477094 UDFDAAVLLCLNEY-UWJYYQICSA-N 423.513 2.942 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 4806468 GVMOJJSNQMXKEJ-XIKOKIGWSA-N 424.881 2.652 0 50 HFAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc(OCCO)c3)N3CCC[C@@]123 11934165 OQPRZOARUSAAAN-CVJWPJSTSA-N 418.537 2.963 0 50 HFAA O=C1CCCN1CCC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 12446052 VGCHHURBKOEBLY-UHFFFAOYSA-N 406.408 2.993 0 50 HFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 14745420 RPHXGEWPZXPHOU-HXUWFJFHSA-N 410.562 2.881 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)CC1 15079090 UGORYTNJSFHTCZ-IBGZPJMESA-N 417.550 2.687 0 50 HFAA COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCC2 17082836 HSRQDNPQXBWVQH-UHFFFAOYSA-N 404.444 2.537 0 50 HFAA Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 19371354 FMXFTLMKAWTVPQ-UHFFFAOYSA-N 415.545 2.856 0 50 HFAA CCOCCCNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 55228501 KGHYEHQQSQVSEN-UHFFFAOYSA-N 402.583 2.609 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccncc2)cs1 169772680 SITLUSIAPZBQQY-OAHLLOKOSA-N 407.455 2.675 0 50 HFAA C[C@@H]1C[C@@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)CN1C 195777567 URNGAGFSEVYAOW-XLGIIRLISA-N 401.626 2.787 0 50 HFAA CCn1nccc1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 227173418 JETCSFKRNKEELQ-FQEVSTJZSA-N 411.487 2.612 0 50 HFAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(N4C(=O)[C@@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)C(=O)[C@@H]21 239386652 PVRUUSQHGDWMAH-VOLALLRDSA-N 404.466 2.924 0 50 HFAA CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(OC)cc2)cc1 245312357 UTIWMZOSUBMLTK-PCCBWWKXSA-N 407.470 2.630 0 50 HFAA COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C(F)(F)F 252667760 DLLADMPAVGUCGB-HZMBPMFUSA-N 407.820 2.724 0 50 HFAA CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1C(=O)CCCOc1ccccc1OCC 253392316 VJVQEDUDSAKFTJ-CALCHBBNSA-N 421.490 2.730 0 50 HFAA CCOc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)c1 263619688 ZZRAWTVUYYBLQK-FQEVSTJZSA-N 408.458 2.887 0 50 HFAA O=C(NCC1(c2cccc(F)c2)CC1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 740127557 AQXOHQJNOODHOU-UXHICEINSA-N 412.461 2.746 0 50 HFAA COc1cccc(-n2cc(CN(C)C(=O)c3ccccc3N3CCOCC3)cn2)c1 824792459 GMCPJLYIPVGKQP-UHFFFAOYSA-N 406.486 2.990 0 50 HFAA C[C@H](C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12)c1nnc(O)c2ccccc12 1506406960 QBVXVZRWDLCMPS-AWEZNQCLSA-N 402.454 2.951 0 50 HFAA COc1cc(CC(=O)N2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)cc(OC)c1OC 1772703950 GZBQLDUKPMDNNQ-CPJSRVTESA-N 424.541 2.936 0 50 HFAA CC1CCN(C(=O)COc2ccc(-c3nccn3C[C@H]3CC(=O)N(C)C3)cc2)CC1 1857708359 POAHDCQOUWCJGN-SFHVURJKSA-N 410.518 2.666 0 50 HFAA CNC(=O)CN(C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1cccc(OC)c1 1875258254 WEXUQMHPWQIXCX-UHFFFAOYSA-N 423.517 2.614 0 50 HFAA CC(C)c1nocc1CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 2325825323 MIQJRQRWVILPJU-UHFFFAOYSA-N 415.269 2.621 0 50 HFAA CCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864725 YCMFGIFXUHPZQC-ZWKOTPCHSA-N 419.953 2.882 0 50 HFAA CNC(=O)c1oc2ccccc2c1CNC(=O)C1CCN(Cc2cccnc2)CC1 2325898769 ZNZFHLJUMDCQEO-UHFFFAOYSA-N 406.486 2.716 0 50 HFAA CC1=C(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)OCCO1 2356143832 XSNSFVLILWUMFI-ANULTFPQSA-N 410.514 2.735 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 916253 VHOIXMHEIAPBLB-MRXNPFEDSA-N 402.516 2.825 0 50 HFAA COc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c(OC)c1 1116609 SKEOAKSSEAEEEN-UHFFFAOYSA-N 416.858 2.901 0 50 HFAA CCOc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O 2380118 UZVHPZDGAALRDM-XDHOZWIPSA-N 421.478 2.998 0 50 HFAA Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Br 2457094 KEKSOTQQNGCXMR-PRRDBKRISA-N 403.276 2.893 0 50 HFAA C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NCCCN1CCCC1=O 2872581 QJBNATZLHRJJCY-NSHDSACASA-N 403.704 2.999 0 50 HFAA CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)Cn1ncc3ccccc31)CC2 14534591 LWYMVWMNIKWOQS-UHFFFAOYSA-N 409.490 2.650 0 50 HFAA C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 14538739 VHGSOLMCWZLTKB-FQEVSTJZSA-N 421.541 2.909 0 50 HFAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O 14542886 LMOLKARZUDRLQP-KRWDZBQOSA-N 405.495 2.808 0 50 HFAA CN1CCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 14978879 LEMHWINQRIKBAK-UHFFFAOYSA-N 405.546 2.623 0 50 HFAA CC(C)CCCN1CC[C@@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC1=O 23153634 YTOKBLMCYDZWMU-FQEVSTJZSA-N 406.615 2.610 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC(O)C3)nc2c1=O 72431826 BFYYCNHAEYQHGS-UHFFFAOYSA-N 412.877 2.599 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cc(F)cc(F)c3)C3=C2C(=O)OC3)cc1 169757990 PHIZQSVXKIAURA-LJQANCHMSA-N 413.380 2.789 0 50 HFAA COc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1F 169776271 ZQQDSNQRINAMDI-UHFFFAOYSA-N 410.409 2.980 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)c1 169777059 DJXPDFKMDNAVRM-UHFFFAOYSA-N 420.444 2.670 0 50 HFAA Cc1ccc(NC(=O)CCNC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)nc1 240569388 HAFDJDMQHRKRNK-UHFFFAOYSA-N 404.511 2.920 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(OC)c(OC)c4)c3CO2)cc1 263617892 QFSYGOSOQLOTHW-HXUWFJFHSA-N 424.457 2.505 0 50 HFAA CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc3nc(O)nc(O)c3c1)CCC2 477096548 CWSHDOOZOIKTQI-CQSZACIVSA-N 420.516 2.758 0 50 HFAA COc1ccc(Cl)cc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670440762 DRKIRUPBPSRYKR-JCVMYPOKSA-N 411.933 2.646 0 50 HFAA O=C(c1cncc(NC[C@H](c2ccccc2)N2CCCCCC2)n1)N1CCOCC1 952988381 LMYJAOHJWKQSRJ-OAQYLSRUSA-N 409.534 2.978 0 50 HFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCCCN1Cc1cccnc1 1319685571 XCVDCDBNOJNFKM-FCHUYYIVSA-N 406.530 2.744 0 50 HFAA COC(=O)CCCCC(=O)N1CC=C[C@@H]1CNC(=O)c1cc2c(F)cc(F)cc2[nH]1 2325872213 MQKPHTNTRBQKAZ-CQSZACIVSA-N 419.428 2.676 0 50 HFAA Cc1ccc(-c2nc(CNC(=O)CCc3nc(O)n[nH]3)[nH]c2-c2ccccn2)cc1 2356144041 HGGRZGSPPFRMCN-UHFFFAOYSA-N 403.446 2.520 0 50 HFAA CCOCCn1nc(CC(C)C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356154591 BCEFPTGNVXEPQA-RTWAWAEBSA-N 413.522 2.712 0 50 HFAA CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1015650 HCHFAKJZEORDFN-UHFFFAOYSA-N 411.321 2.728 0 50 HFAA CCCc1cc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)n(C)n1 11813250 SKNXMVFEPYBLAL-SFHVURJKSA-N 404.555 2.689 0 50 HFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)ccc3OC)C2)nn1 11967281 KBIGUUDURCWPOT-QGZVFWFLSA-N 401.511 2.614 0 50 HFAA COc1ccc(CNCCc2cn[nH]c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12701797 RPXMKHMNWZDDIF-JOCHJYFZSA-N 424.545 2.622 0 50 HFAA Cc1cc(=O)c(C(=O)N2CCSCC2)c(CCc2ccccc2)n1CCN(C)C 15002752 DJGUNGMGTXZSTH-UHFFFAOYSA-N 413.587 2.693 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 16607557 QRQSSOHOIOYTAM-UHFFFAOYSA-N 409.895 2.783 0 50 HFAA Cc1nnc(SCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)s1 17090041 ZUZAFZDGOGLTEL-UHFFFAOYSA-N 414.534 2.611 0 50 HFAA C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O 19772664 JUNQEISKSJTAOR-HNNXBMFYSA-N 411.889 2.669 0 50 HFAA CCCCNC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23360631 MBHFVJKJGIDUJA-LJQANCHMSA-N 402.539 2.507 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 95522346 GWHHZJDMJMKATD-CYBMUJFWSA-N 403.932 2.586 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc1 104525346 DCWVHXLGVAEAFZ-LJQANCHMSA-N 402.564 2.666 0 50 HFAA C[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1nnc2n1CCC2 685110090 DIAXDMKGAHEBQR-LLVKDONJSA-N 408.865 2.736 0 50 HFAA O=C(Cc1c[nH]c2cnccc12)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1324913287 LEEMGJHVWRVVLY-LJQANCHMSA-N 418.545 2.561 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2nc(N)nc3c2CCCC3)CC1 1506401043 BLTFREQSMHQSBQ-UHFFFAOYSA-N 408.550 2.502 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 1506426862 VOJNHRIKAUCQKH-OAHLLOKOSA-N 411.549 2.633 0 50 HFAA Cc1ccc(-c2noc(CCCC(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)n2)cc1 1704298758 DGORSCQKUQJIDO-AUSIDOKSSA-N 412.534 2.673 0 50 HFAA CCCCN1C[C@@H]2CN(C(=O)CCC(=O)Nc3cccc(CC)c3)C[C@@]2(CO)C1 1772810128 JIGWXTVKERBZBB-AUSIDOKSSA-N 401.551 2.521 0 50 HFAA CC[C@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1cn2cccnc2n1 1857688990 AIZMWUWFSWPHMG-HNNXBMFYSA-N 411.531 2.823 0 50 HFAA COc1ccc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)cc1NS(C)(=O)=O 1857690289 FPUHIAKPTMVBJO-UHFFFAOYSA-N 412.475 2.579 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)CC1 1875372137 XQDATYNVLRUAPI-HDICACEKSA-N 413.518 2.669 0 50 HFAA NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)cc1 2325702844 OAKHEVAENKXTBJ-UHFFFAOYSA-N 422.441 2.751 0 50 HFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)C2)n1 2356143159 WVCNPUYDEMNWET-KRWDZBQOSA-N 400.548 2.800 0 50 HFAA COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1OC 2872273 RIIYMTKJORVDNL-HXUWFJFHSA-N 407.488 2.628 0 50 HFAA COCCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 2884774 HXJINRBVUSSISV-GOSISDBHSA-N 415.421 2.647 0 50 HFAA FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCCC[C@H]2c2cccnc2)n1 8856065 CIQJGLKJWOXUNZ-HNNXBMFYSA-N 424.427 2.776 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(CCCn4cccn4)C3)C2=O)c1 11661122 TVLBNSAJWDMOPL-JOCHJYFZSA-N 400.498 2.936 0 50 HFAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@H](O)CN1CCCCCC1 11816508 DIOQGSGVNAOOQU-LJQANCHMSA-N 418.538 2.634 0 50 HFAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)O1)c1cc(F)cc(F)c1 11841806 VRLLUWPUAFSXHZ-GOSISDBHSA-N 415.440 2.944 0 50 HFAA COC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)c1ccccc1 12056695 AKUYVQQALJKUMT-JTHBVZDNSA-N 412.461 2.828 0 50 HFAA Cc1cc(CNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)nn1C 12198702 ZVUBVKWPKKWLQB-HSZRJFAPSA-N 408.546 2.890 0 50 HFAA Cc1cccnc1N1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 14960624 WHYCCASJGVWYSG-FQEVSTJZSA-N 424.520 2.659 0 50 HFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccnc(-n4cnnn4)c3)C2)cc1 15071709 OYWWYMPTUQFCNH-OAQYLSRUSA-N 419.533 2.650 0 50 HFAA COc1cc(C(=O)N[C@@H](C)Cc2cccnc2)ccc1OC1CCN(C(C)=O)CC1 15073105 LCDSECWYAVDHNS-INIZCTEOSA-N 411.502 2.841 0 50 HFAA COc1cccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)c1 20168664 TUVDRYYCBURZEA-FQEVSTJZSA-N 413.905 2.798 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)CC1 20999525 SCADZCVAVYBUJF-HXUWFJFHSA-N 412.534 2.982 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)n1 67601842 KXDQIKHRRIBEEA-UHFFFAOYSA-N 415.501 2.652 0 50 HFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2n[nH]c3ccccc23)C1 91794147 LYYPFEYTGFXEEB-QGZVFWFLSA-N 406.490 2.633 0 50 HFAA O=C(c1ccccc1OC1CCN(C(=O)N2CCOCC2)CC1)N1CCCCC1 95527090 CGTLIASHCXYXBN-UHFFFAOYSA-N 401.507 2.608 0 50 HFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)cc1OC 170619984 SMSDXDPOZJXOOG-SFHVURJKSA-N 406.232 2.879 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 239302811 FOLIWIHHCQEVHR-JRBZFYFNSA-N 413.854 2.684 0 50 HFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O 239338737 LCZDXNPZDNPEER-XLAORIBOSA-N 424.538 2.561 0 50 HFAA Cc1ccc(S(=O)(=O)c2c3[nH]c4ccccc4nc-3n(NC(=O)C3CC3)c2=N)cc1 334158320 GOJJMZHOVZDTIK-UHFFFAOYSA-N 421.482 2.570 0 50 HFAA COCCN([C@H]1CCO[C@H]1C)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 685598363 SMIUITLVHQAXID-KSSFIOAISA-N 417.487 2.704 0 50 HFAA O=S(=O)(N1CCCC1)N1CCCN(Cc2nc(-c3ccccc3)cs2)CC1 828388627 PKBGXEJXYBEUSS-UHFFFAOYSA-N 406.577 2.658 0 50 HFAA COc1cc(-c2onc(NC[C@H]3CC4(CCNCC4)CO3)c2C(=O)O)ccc1F 1704306695 XVUGNSQDXOLNJL-CYBMUJFWSA-N 405.426 2.758 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(CC(C)(C)CN3CCOCC3)CC1)OCC2 1704356963 AAKCKBXIJHWVEK-UHFFFAOYSA-N 418.578 2.926 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)cc1N1CCNC1=O 1772712885 TVBLAGPKDAEGNL-OFVILXPXSA-N 418.541 2.819 0 50 HFAA O=C(O)c1cccnc1N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857726903 HQEYXLZCNCKLBN-QFIPXVFZSA-N 403.442 2.822 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 1857735231 NRBRRELZLTUEIG-AWEZNQCLSA-N 407.499 2.945 0 50 HFAA COc1ccc(-n2nc(C)cc2NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 1875241841 JGDAGZPQXUNOJY-UHFFFAOYSA-N 405.462 2.815 0 50 HFAA CSCCc1nc(-c2ccc3c(c2)OCC3)n(-c2nc(Br)nn2C)n1 1875348030 GKTLLHSUCQVXCB-UHFFFAOYSA-N 421.324 2.666 0 50 HFAA Cc1cc(C(=O)N2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc2sc(=N)[nH]c12 2100483624 CDEDFBARVAXNBW-MGPUTAFESA-N 405.520 2.731 0 50 HFAA CCCCc1oc2ccccc2c1C(=O)N[C@@H]1CCN(Cc2cn(C)nc2C(N)=O)C1 2325863023 QSLHWKSRGYNFJQ-MRXNPFEDSA-N 423.517 2.612 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCn4nccc4C3)CC1)OCC2 2356143490 JWYLLOKSZQXCRY-QGZVFWFLSA-N 411.502 2.553 0 50 HFAA Cc1c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c1C(=O)CCC2 2356157922 SBBYDJLDTYQPDT-QHCPKHFHSA-N 407.518 2.818 0 50 HFAA COc1cc(C)ccc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166652 HFCFBFMDGQNVEU-PMAPCBKXSA-N 400.519 2.904 0 50 HFAA O=C1c2ccccc2-c2ncnc3c(N4CCOCC4)cc(N4CCOCC4)c1c23 1445770 BCIGPFPVPQLUQG-UHFFFAOYSA-N 402.454 2.514 0 50 HFAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4488400 QOHKYJOJYSTRLE-LLVKDONJSA-N 409.335 2.545 0 50 HFAA CO[C@@H](C(=O)NC[C@@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1)c1ccccc1 12163980 YTTSSBWHBOJQHH-SIKLNZKXSA-N 417.465 2.655 0 50 HFAA O=C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCN1CCOc1ccc(F)cc1 12246613 CXTXPPCJGPTHJH-UHFFFAOYSA-N 422.460 2.969 0 50 HFAA O=C(CCn1cncn1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 12472369 BYENYOAMUIAXGE-QGZVFWFLSA-N 403.477 2.707 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCN1CCCO1 12703588 QVKOKDSFXGXEFX-UHFFFAOYSA-N 407.530 2.540 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cnc(SC)nc2)C[C@@H]1CCO 19744236 BSBBTILVHWMMCP-IBGZPJMESA-N 402.564 2.666 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccs3)[C@@H]4C2=O)cc1C 77337814 CWUINVXKTWFQLB-VGYLUTEMSA-N 409.511 2.705 0 50 HFAA CN1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 229621744 HCKYPAXWOZPWRV-RTBURBONSA-N 400.910 2.955 0 50 HFAA CC(C)CCn1cnc2ccc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2c1=O 248294150 VSCLCAFTSFCRJE-HXUWFJFHSA-N 417.473 2.657 0 50 HFAA Cc1ccc2c(c1)cc(CN[C@@H]1CCS(=O)(=O)C1)c(=O)n2Cc1cccc(F)c1 299780800 CRCKZASSQZJKLG-HXUWFJFHSA-N 414.502 2.774 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@@H](C)CN1CCc2ccccc2C1 670434336 ZMXKKHSRDKFNOL-HNNXBMFYSA-N 400.504 2.565 0 50 HFAA COc1ccccc1-c1ccc(N2CCC[C@H](CNC(=O)c3cnccn3)C2)nn1 1506395958 PTFBPOWEGRJKRJ-MRXNPFEDSA-N 404.474 2.589 0 50 HFAA CSc1nn2c(=O)cc(CN3CCC[C@H](c4nc(C(C)C)no4)C3)nc2s1 1506421384 FWZQFQYTABCFDN-NSHDSACASA-N 406.537 2.759 0 50 HFAA CC[C@]1(C(=O)NCc2ccccn2)C[C@H]2CC[C@@H]1N2C(=O)CCc1n[nH]c(C)c1C 1704310829 UKFPOWFLIWPLIB-RFWXGWTQSA-N 409.534 2.830 0 50 HFAA CSc1ccc2c(C)cc(N3C[C@@H]4CN(Cc5cc[nH]n5)C[C@@]4(CO)C3)nc2c1 1772704647 OKWHEPAUIWVOPB-AOMKIAJQSA-N 409.559 2.919 0 50 HFAA Cc1cc2cccc(C(=O)N[C@@H]3CCC[C@@H](NC(=O)Cc4c(O)n[nH]c4C)C3)c2o1 1857666951 MJPBMBSOAIGLQO-HZPDHXFCSA-N 410.474 2.878 0 50 HFAA Nc1nc(CSc2nnnn2-c2ccccc2)nc(N2CCCc3ccccc32)n1 1114374 QAJDVWYSJLVRQZ-UHFFFAOYSA-N 417.502 2.806 0 50 HFAA COc1cc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc(OC)c1OC 2404646 IHPWNRDLNVIRCW-UHFFFAOYSA-N 414.439 2.946 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)[nH]n1 11663231 LOMFJIBDMVPVJU-UHFFFAOYSA-N 415.582 2.547 0 50 HFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)COc4ccccc4)CC3)nn2)n1 11697208 YCEZNKBTMPUDHR-UHFFFAOYSA-N 404.474 2.651 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697670 XCVIREKEOWZNKM-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA COCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 12218536 QPXBZTUIACRCTK-UHFFFAOYSA-N 420.498 2.905 0 50 HFAA C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 13005649 HBFGQICDFPBCHF-AWEZNQCLSA-N 408.907 2.852 0 50 HFAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)n1 13008923 IKTDTWAHAGQURG-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccccn1)CC2 14753288 YSVLGSSWVMICER-UHFFFAOYSA-N 422.529 2.570 0 50 HFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nn2)nc1 82230235 BPTTYXQOTMHKAT-UHFFFAOYSA-N 406.465 2.954 0 50 HFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C2=C1C(=O)OC2 169758128 HAPQFHXAIGYHEZ-OAQYLSRUSA-N 421.453 2.910 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1C 170623937 ZPNPQMIGULIAMK-UHFFFAOYSA-N 406.504 2.532 0 50 HFAA C[C@@H](NCc1ccccc1CN1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1 225509893 NNAPAUJHAUOOLJ-QGZVFWFLSA-N 403.567 2.988 0 50 HFAA Cc1cc(NC(=O)C(=O)Nc2ccn(C3CCCCC3)n2)n(Cc2ccccc2)n1 408515997 QXGWBWHKSANBMT-UHFFFAOYSA-N 406.490 3.519 0 50 HFAA COc1ccccc1N1CC[C@@H](N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1=O 464864131 GYWSNUKUOFFFQB-HXUWFJFHSA-N 411.477 2.706 0 50 HFAA Cc1cc(S(=O)(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c(C)cc1Cl 952983262 OTVWVYWOQOCALS-INIZCTEOSA-N 407.923 2.821 0 50 HFAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 952990851 XMYANPOSTJDHOS-UHFFFAOYSA-N 420.473 2.614 0 50 HFAA CC(C)c1csc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)n1 1857721753 DOWMUNGLVQKABZ-PMPSAXMXSA-N 403.552 2.623 0 50 HFAA Cc1c(-c2ccncc2)[nH][nH]c1=NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 1875254359 YKBYFTXXUAUPRW-SFHVURJKSA-N 401.470 2.682 0 50 HFAA O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1cc(F)c(F)cc1N1CCOCC1 1875256987 LFEFJOXHJHLLAF-UHFFFAOYSA-N 421.469 2.720 0 50 HFAA COC(=O)C(C)(C)n1cc(NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cn1 1875321023 RFWDOVYAILIYOO-UHFFFAOYSA-N 413.438 2.551 0 50 HFAA C[C@@H]1c2ccccc2N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)[C@@H]1C 2325898980 HNDZFWRWSVYSMJ-LRDNONRASA-N 417.465 2.600 0 50 HFAA Cc1ccc(N(Cc2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C 840197 PUNCWFDSIFLGPQ-UHFFFAOYSA-N 402.516 2.742 0 50 HFAA Cc1ccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1185815 QFLROBQSGMYTSY-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11873121 GRSGEQWKUODIRH-HNNXBMFYSA-N 407.446 2.846 0 50 HFAA COc1cccc(CNCc2cc(F)ccc2C)c1OC[C@@H](O)CN1CCOCC1 11956761 ZMSJSZMHKWNDPC-NRFANRHFSA-N 418.509 2.504 0 50 HFAA O=C1CCCCN1CC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12763267 QEMPCEQEFACWOM-QFIPXVFZSA-N 405.489 2.792 0 50 HFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C 14733586 OFLXZHIRWPKOGW-GOSISDBHSA-N 417.550 2.985 0 50 HFAA CCOC(=O)N1CCC(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)CC1 39537594 CZEILOCWBMBJLM-JOCHJYFZSA-N 403.567 2.609 0 50 HFAA Cc1ccn(CC(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n1 55108234 NSHJCGKHYALLPX-HXUWFJFHSA-N 401.942 2.658 0 50 HFAA Cn1cnnc1CCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 72423077 HLWPJRMUYUWOIC-UHFFFAOYSA-N 404.514 2.922 0 50 HFAA CCNc1nc(C)cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)n1 82230673 AZTSLKSTARFFDC-UHFFFAOYSA-N 403.430 2.626 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)COc4cccc(C)c4)CC3)n[nH]c2=O)cc1 169779785 KUGQSAJRZLVVLW-UHFFFAOYSA-N 406.486 2.962 0 50 HFAA COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2ncnc3[nH]cnc23)c(OC)c1 328598315 LEQMTKAQCSECRV-FNORWQNLSA-N 405.418 2.516 0 50 HFAA Cc1cc(C(=O)N2CCC(CNC(=O)c3ccc(Cl)c(C)c3)CC2)nc(N)n1 952982925 SMZMMHLSEZTMNE-UHFFFAOYSA-N 401.898 2.611 0 50 HFAA C=CC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CC(=O)N3C)(c2ccccc2)CC1 1472355523 OEFSTRXASOHWJC-UHFFFAOYSA-N 417.509 2.568 0 50 HFAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4ccccc4C)no3)C[C@H]2O)on1 1704353006 OPCOFUZSZDQVKG-VQIMIIECSA-N 410.474 2.726 0 50 HFAA CNC(=O)Cc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(C(C)(C)C)n1 1857672942 ALGQVZJIWXTDQE-UHFFFAOYSA-N 411.510 2.550 0 50 HFAA CC(C)C[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(C(=O)c3ccccc3)CC(=O)N21 1857694859 KRMRMBWNTKWCEX-NJDAHSKKSA-N 411.546 2.787 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCC4(COC)CCC4)CC3=O)sc2c1 1857723876 AJLWEWYUYNBWCE-AWEZNQCLSA-N 417.531 2.981 0 50 HFAA CN(C)CC1CCN(c2ccccc2NC(=O)c2ncn(-c3ncccc3F)n2)CC1 1875338522 ADZAEOKKTGOSMX-UHFFFAOYSA-N 423.496 2.832 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 780500 STALISAEVMDTQB-UHFFFAOYSA-N 412.442 2.923 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)OC 1902974 FPTJOLPDKRHSFO-LJQANCHMSA-N 423.465 2.943 0 50 HFAA biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 2865330 BARQMDREFNVYIQ-HNNXBMFYSA-N 410.426 2.560 0 50 HFAA O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4196852 VYJPIWSPDSDDIA-UHFFFAOYSA-N 406.529 2.828 0 50 HFAA COCC(=O)Nc1cc(C(=O)N[C@@H](C)COC)cc2nc(-c3ccccc3)n(C)c12 11839649 QPLREICVPMXZPA-AWEZNQCLSA-N 410.474 2.590 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cc(F)cc(F)c1)C3 11910620 LJSZZHBSHIFNHR-INIZCTEOSA-N 418.513 2.945 0 50 HFAA COc1ccccc1CN[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14541802 TUDCVCDHSTVLAV-KRWDZBQOSA-N 408.502 2.941 0 50 HFAA O=S1(=O)CCC(CNc2nccc(-c3cnn(-c4ccc(F)cc4)c3)n2)CC1 19788180 LTXIXHUOUYIVIC-UHFFFAOYSA-N 401.467 2.705 0 50 HFAA CN(CC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 20907987 ALFNXZFBYYLKMB-QFIPXVFZSA-N 403.473 2.635 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCC[C@H]2c2nccs2)CC1 95504771 CYQUCKOUCAUSMH-INIZCTEOSA-N 403.556 2.505 0 50 HFAA COc1cccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)c1 169759858 CQNPUMIOAPXNFI-NRFANRHFSA-N 407.426 2.822 0 50 HFAA CCOCCS(=O)(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 225656723 CBBRJQPWQNHXIS-LLVKDONJSA-N 402.314 2.856 0 50 HFAA C[C@H](C(=O)Oc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239121214 JNDOJHQDBIVNRE-HSXSFOCCSA-N 416.271 2.796 0 50 HFAA O=C(COc1ccccc1)N1CCOc2ccc(CN3CCCC[C@@H]3CO)cc2C1 299758393 MKVWIHKAEAHFMB-OAQYLSRUSA-N 410.514 2.833 0 50 HFAA O=C1CCCN1CCC(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328604474 KCNDWDCWORBJPQ-WZONZLPQSA-N 408.502 2.553 0 50 HFAA O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)N1CCOC2(CCCCC2)C1 465868742 DBVCLZQBKJXRPS-OAQYLSRUSA-N 401.551 2.675 0 50 HFAA NS(=O)(=O)c1ccc(CCN2CCOc3ccc(Br)cc3C2)cc1 801967155 AGVOSDDIMVLXRA-UHFFFAOYSA-N 411.321 2.534 0 50 HFAA Cc1ccc([C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C)cc1 952978889 FYSAIKAXWDLVIO-OAQYLSRUSA-N 415.559 2.567 0 50 HFAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc21 952983787 WCFWTKOEBIVUDQ-ZDUSSCGKSA-N 412.471 2.576 0 50 HFAA C[C@H](NC(=O)[C@@H](Cc1cn(-c2cncc(C(=O)O)c2)nn1)C1CC1)c1cccc(F)c1 1875327100 RBWFGQOMOOSNKK-RBZFPXEDSA-N 423.448 2.946 0 50 HFAA C=CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)C2)nn1 1875385975 GKXVMLJYWVXALQ-WMLDXEAASA-N 413.547 2.744 0 50 HFAA COc1ccc(N2C[C@@H](C(=O)N=c3cc(-c4ccco4)[nH][nH]3)CC2=O)cc1Cl 1940196141 MZKRNIADFORVTD-NSHDSACASA-N 400.822 2.745 0 50 HFAA C[C@H](OC(=O)c1cc2c(s1)CCCNC2=O)C(=O)c1ccc2c(c1)CCC(=O)N2 2325823681 AJXZHZJHQUMTMW-NSHDSACASA-N 412.467 2.737 0 50 HFAA C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2cc(Br)cc(C(=O)O)c2)C1=O 2325827491 IAWVHBXCJMUYMM-ABAIWWIYSA-N 424.295 2.837 0 50 HFAA O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 2325828247 BXEOBKARRLECMT-IBGZPJMESA-N 424.432 2.923 0 50 HFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c(s1)CCOC21CCNCC1 2356159796 QNLTYHJNWGJVQQ-GOSISDBHSA-N 411.571 2.686 0 50 HFAA CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(N)cc1 679531 YOOSUINQIOSRFF-UHFFFAOYSA-N 422.558 2.988 0 50 HFAA COCCCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 2814803 KIMZOPCGWZMRIT-MRXNPFEDSA-N 406.504 2.786 0 50 HFAA O=C(NCc1ccccn1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 4626011 HWJJPFCLPHYYGT-UHFFFAOYSA-N 402.336 2.811 0 50 HFAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 6697616 GPGCDVIQQZHYMR-UHFFFAOYSA-N 404.488 2.521 0 50 HFAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 6710455 MOSXOAPJXFLBQM-KRWDZBQOSA-N 419.522 2.637 0 50 HFAA Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)n1 11841664 DCVWIZGHMQDRHN-HXUWFJFHSA-N 422.554 2.954 0 50 HFAA CC[C@@H]1CN(CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 11910689 JFQYMOUCDXDNDM-GOSISDBHSA-N 423.517 2.619 0 50 HFAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3nonc23)C1 11998652 HYPWPIADLHLKDE-KRWDZBQOSA-N 400.504 2.554 0 50 HFAA CN(C)c1ncc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12004112 MYNPAANGRACJDE-KRWDZBQOSA-N 408.593 2.541 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O 12159515 CHFFXVJTLRKICA-HXUWFJFHSA-N 411.546 2.931 0 50 HFAA Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1 14985341 ZCLKLVHCZAZMCT-JKSUJKDBSA-N 401.536 2.809 0 50 HFAA CCOC(=O)N1CCC(N2CCN(Cc3ccc(OCC)cc3)[C@@H](CCO)C2)CC1 20998569 LVAFKFIFYVSESX-NRFANRHFSA-N 419.566 2.575 0 50 HFAA CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 21726591 HVKDHPZIFZFIQH-INIZCTEOSA-N 403.446 2.800 0 50 HFAA O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32104482 ARSUXDSWCQUUJX-LBPRGKRZSA-N 401.268 2.742 0 50 HFAA CCCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 136136039 FISGPBUWTXPNRF-XBJMDHIQSA-N 407.514 2.799 0 50 HFAA biogenic CCOc1ccc(NC(=O)Cc2cccc(OC)n2)cc1S(=O)(=O)N(CC)CC 225412774 LVCRDJYWHBUJNN-UHFFFAOYSA-N 421.519 2.701 0 50 HFAA CC[C@@H]1CN(c2cc(C)nc3nc(C(F)(F)F)nn23)[C@H](CC)CN1CC(C)(C)O 225813531 QGLINCGPSOVOPE-ZIAGYGMSSA-N 414.476 2.902 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CCC(N(C)C)CC4)C3)nc2c1 1857674244 ZRHURLWGHRUDQM-MRXNPFEDSA-N 400.523 2.996 0 50 HFAA COc1ccccc1C1=CC(=C(O)N=c2cc(C)[nH]n2[C@H]2CCS(=O)(=O)C2)N=N1 2083580024 DTTVGTSYXYTZSS-ZDUSSCGKSA-N 415.475 2.628 0 50 HFAA COc1cc(C)c2c(c1)N(S(=O)(=O)c1cn(C)nc1C1CCCC1)[C@@H](C(=O)O)C2 2325828988 XIKVPOQKABCZQQ-QGZVFWFLSA-N 419.503 2.599 0 50 HFAA CO[C@@H]1CCCC[C@H]1n1cc(-c2cnn3c2CN(C(=O)[C@H]2CC=CCC2)CC3)nn1 2325872658 IJIZKRBCDZQCFN-LDQXTDLNSA-N 410.522 2.970 0 50 HFAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc2nccnc2c1 814418 NLKRGNCKUGWQFA-HXUWFJFHSA-N 409.471 2.699 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(c2cccc(Br)c2)=NO1 814968 UHEQYUBAQCODRU-QGZVFWFLSA-N 403.232 2.987 0 50 HFAA COc1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 1431590 GQKQKGVQSAEDAX-UHFFFAOYSA-N 424.888 2.857 0 50 HFAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1F 4413967 FIJDHERVAHSTDF-UHFFFAOYSA-N 415.446 2.960 0 50 HFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 4877542 YNEVDAHDPGZONZ-KBPBESRZSA-N 409.489 2.773 0 50 HFAA O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003284 JSTLSBSXNMQXSD-UHFFFAOYSA-N 410.854 2.518 0 50 HFAA C[C@@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12131229 QERUBYRNFXVIMP-CQSZACIVSA-N 403.486 2.806 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2csc(C)n2)C1 12464591 XJMZJBPIEXKMTF-OAHLLOKOSA-N 403.504 2.508 0 50 HFAA Cc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3c(C)noc3C)C2)cn1 14537575 RPUUVNDNPPCJHA-IBGZPJMESA-N 414.506 2.521 0 50 HFAA Cc1nc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c2ccccn12 19225361 YFESDIUOOUWMRV-DNQXCXABSA-N 423.536 2.539 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 77323205 WIQBROAJGPEKTE-XARGGIHNSA-N 421.497 2.540 0 50 HFAA CC1(C(=O)N2CCc3cc(S(=O)(=O)NCCOc4ccccc4)ccc3C2)CC1 77505421 XGPRSZHALPSLRX-UHFFFAOYSA-N 414.527 2.729 0 50 HFAA O=C(c1c(F)cccc1F)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95526726 SMCQPMZLSTYGTQ-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC[C@H](CN(C)C)c2ccccc2)cc1 225422403 UGOLYNLIASBMRD-WCQNYLQPSA-N 409.530 2.675 0 50 HFAA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(F)cc2)cc1 245329216 YFJVTDOSLWIELC-LWYYNNOASA-N 408.429 2.669 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 474883617 ZSIKQCHOIUCVJS-AWEZNQCLSA-N 420.347 2.669 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)Nc1ccc(N2CCCC2=O)c(F)c1 487999287 LWKALBMQSPVIEC-YWSXFXLPSA-N 411.477 2.583 0 50 HFAA CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 498331846 HQHVUPGPWWLZFF-PKOBYXMFSA-N 419.481 2.749 0 50 HFAA O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 1320068845 WOVRNBZYHSUCCS-GOSISDBHSA-N 423.918 2.679 0 50 HFAA CCN(CC)C(=O)CCCn1c(N2CCCC2)nnc1[C@@]1(OC(C)C)CCOC1 1728352479 ADXMEGJJDULDJN-OAQYLSRUSA-N 407.559 2.568 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3ccc4c(c3)OCO4)C[C@H]1CN(Cc1nccs1)C2 1772707410 SGHYSCQELRYPLK-KKSFZXQISA-N 415.515 2.671 0 50 HFAA CCS(=O)(=O)N(C)CCCn1c(-c2cnccn2)cs/c1=N/c1ccccc1 1875255842 MOIAJYVXENLJSH-ZBJSNUHESA-N 417.560 2.911 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 1875371829 MVBQGVQZNQAAKM-RDJZCZTQSA-N 407.308 2.774 0 50 HFAA C[C@@H]1CN(C(=O)c2c(Cl)ccc(O)c2N)CCN1C(=O)[C@H]1C[C@H]2[C@@H](C1)C2(C)C 2325872427 XNIJSZVDHYJDHR-SYQHCUMBSA-N 405.926 2.983 0 50 HFAA O=C(O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 692945 RJEBBYLYBLRZQO-UHFFFAOYSA-N 404.378 2.704 0 50 HFAA NC(=O)C1CCN(C(=O)CSc2nc3c(c(-c4ccccc4)n2)CCCC3)CC1 806583 GTSGZDUBHYDRCX-UHFFFAOYSA-N 410.543 2.838 0 50 HFAA O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 4992932 ATUOEFCRKWFVLL-MRXNPFEDSA-N 401.470 2.817 0 50 HFAA COc1ccccc1CC(=O)Nc1cnn(CC(=O)NCCc2ccc(C)cc2)c1 11911255 BLCNULJCKVMXLP-UHFFFAOYSA-N 406.486 2.740 0 50 HFAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)Cc2cscn2)CCO3)C1 12183062 CWLOZDOIODYDLT-SFHVURJKSA-N 415.559 2.965 0 50 HFAA C[C@@H](C(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1)n1cncn1 12595153 XVBZAAWAHWTINV-HNNXBMFYSA-N 403.914 2.828 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)CCc1ccccn1)C2 14539612 BVZJSYBSAZFZRT-GOSISDBHSA-N 413.591 2.519 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)s1 14541974 NIDSZDSNIQLCMT-UHFFFAOYSA-N 406.529 2.637 0 50 HFAA O=C(O)[C@@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 91650804 LYAVEILTYRFANT-SNVBAGLBSA-N 410.257 2.604 0 50 HFAA COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 170624943 VZEXZFSAPNMLHL-NSHDSACASA-N 420.263 2.864 0 50 HFAA Cn1ccc(N2CCC[C@H](NCC3(c4ccc(Cl)cc4)CCOCC3)C2=O)n1 439563206 APGBZKYRNMRVBN-SFHVURJKSA-N 402.926 2.907 0 50 HFAA Cc1nc(N2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)n[nH]1 1300185849 RXQGQKLVRPVNJZ-UHFFFAOYSA-N 400.280 2.991 0 50 HFAA CS(=O)(=O)c1cccnc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 1456336759 JMOHYCVEJXNQCW-CYBMUJFWSA-N 413.421 2.513 0 50 HFAA O=C(CCN1CCC[C@@H](CNC(=O)c2ccc(F)cc2F)C1)Nc1cccnc1 1506417583 NSWAREOFZSZIOZ-HNNXBMFYSA-N 402.445 2.830 0 50 HFAA COc1cc(CN2C[C@H]3CN(Cc4ccncc4Cl)C[C@]3(CO)C2)cc(OC)c1 1772806056 YDXVZDLHRQGGKD-AVRDEDQJSA-N 417.937 2.679 0 50 HFAA COc1ccc(NC(=O)N2CCCN(C(=O)c3oc(C)nc3C)CC2)c(OC)c1 1800414322 NDAMVRKSNZSOGZ-UHFFFAOYSA-N 402.451 2.689 0 50 HFAA CCOC(=O)[C@H](NC(=O)C[C@@H]1CCCc2cc(OC)ccc21)[C@@H](O)c1cccnc1 1875405956 SOXCXVXSWHGKHV-USCONSEESA-N 412.486 2.682 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4nnc(C)o4)C3)c3cccc(=O)n32)c1 2356155180 AICCKZXIXUDZFK-UWVAXJGDSA-N 420.469 2.592 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N[C@]1(O)C(F)(F)F 715264 QHWQRSRLVPZOAH-IYYTYJHQSA-N 401.168 2.778 0 50 HFAA Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 720375 WTWRSZDWLZCGGH-UHFFFAOYSA-N 405.845 2.996 0 50 HFAA COc1cc(NC(=O)c2cc3ncc(Br)cn3n2)cc(OC)c1OC 844905 FONGPWNBGXFZMM-UHFFFAOYSA-N 407.224 2.770 0 50 HFAA Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 1124512 QCZHZXCRRHTVLD-DOTOQJQBSA-N 415.563 2.841 0 50 HFAA COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1 2382739 VGHPMIFEKOFHHQ-UHFFFAOYSA-N 418.262 2.558 0 50 HFAA endogenous,in-man CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(c2ccccc2)CC1 4797608 MFVMNUFCTINRIV-UHFFFAOYSA-N 401.514 2.988 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1NC(C)=O 4865778 WRGXDQILRXIPHE-UHFFFAOYSA-N 403.504 2.555 0 50 HFAA COc1ccc(NS(=O)(=O)c2ccc(NOCc3ccccc3O)cc2)nn1 5344982 ARRLKUNNOFYUNR-UHFFFAOYSA-N 402.432 2.535 0 50 HFAA COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 6151970 VVICRHGQRCSAFW-UHFFFAOYSA-N 418.515 2.894 0 50 HFAA Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)c2ccc(F)cc2)C1 8588961 XCEXJUFPRAYAGF-GOSISDBHSA-N 419.522 2.844 0 50 HFAA CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1 8602254 RZTOGRDBIVGQDC-UHFFFAOYSA-N 402.472 2.902 0 50 HFAA COc1cc(C[C@@]2(CCC(=O)NCCc3cscn3)CCC(=O)N2)ccc1F 11783087 CXIISPLGQDNPDR-HXUWFJFHSA-N 405.495 2.621 0 50 HFAA Cc1nccn1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 11819486 JAKZKQHBZHGKEV-HXUWFJFHSA-N 411.550 2.697 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCC[C@H]1CO 11843256 QFSURVBKGSABJR-IBGZPJMESA-N 406.530 2.832 0 50 HFAA CCN(CCO)C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 12037933 PAPHJJKQRJJTQB-UHFFFAOYSA-N 407.474 2.670 0 50 HFAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)c1cccc(Cl)c1)C2 12158273 VQRYOYVILIMFOF-UHFFFAOYSA-N 423.904 2.755 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc3o2)cc1OC 12199845 JAIQXLVYWJWSDH-KRWDZBQOSA-N 423.469 2.834 0 50 HFAA Cc1c(-c2ccccc2)n(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 12372628 DVAGKLSZCRMABB-UHFFFAOYSA-N 413.481 2.905 0 50 HFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccc3c(c1)OCO3)CC2 14537354 ONRFZVLWYJXDLD-INIZCTEOSA-N 422.485 2.661 0 50 HFAA CCOc1ccc2nc(N3CCC(C(=O)NCCc4cnccn4)CC3)nc(C)c2c1 14954584 MIMDGTGGZUCSKU-UHFFFAOYSA-N 420.517 2.702 0 50 HFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)C(=O)c1ccccc1 14959574 ITJMJRGNTMGKJH-QFIPXVFZSA-N 415.578 2.541 0 50 HFAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCn2cncn2)CC1 15065365 UNKPWSZOMUWGAR-UHFFFAOYSA-N 404.898 2.736 0 50 HFAA COc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)cc(OC)c1 49546580 WECBJGVMKVBLDU-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4cc(F)ccc4F)c2=O)CCCCC3)no1 169763974 JEGIBTBGCLNZIM-UHFFFAOYSA-N 402.401 2.675 0 50 HFAA C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@H](CO)O1 170605399 OJCARWMCSSMDHJ-BLLLJJGKSA-N 407.264 2.858 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 170623109 HETBIKMHZZTEOH-VXGBXAGGSA-N 412.439 2.620 0 50 HFAA O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1nnnn1-c1ccccc1 239672485 BTGRFLBPRMLHKH-HXHBTQRASA-N 403.486 2.910 0 50 HFAA COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c(OC)c1 263618484 UALSTGGDAMDUOX-LJQANCHMSA-N 412.421 2.636 0 50 HFAA Cc1ccc([C@H](CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c2ccccc2)cc1 426628777 ONOQMLSTJBMZIF-OAQYLSRUSA-N 418.541 2.926 0 50 HFAA Cc1ccc(C(=O)N[C@H](C(=O)N2CCS(=O)(=O)c3ccccc3C2)C(C)C)cc1 477264604 NRIWGJMYBHTMPO-FQEVSTJZSA-N 414.527 2.566 0 50 HFAA C[C@@H](OC(=O)c1nnc(O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 952845534 QOQMOFABRWMSNJ-GFCCVEGCSA-N 420.425 2.645 0 50 HFAA COCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1cc(C)c(F)cc1Cl 1506431801 ZSVZBUADJIWOOP-UHFFFAOYSA-N 403.907 2.975 0 50 HFAA CN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(Cc3cccc4[nH]ccc34)CCO2)C1=O 1857696889 PPKCXKHHXDHEMA-SMKKKYSBSA-N 408.546 2.596 0 50 HFAA COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1Cl 2979787 DLMJRKAKFNTCBQ-UHFFFAOYSA-N 408.907 2.700 0 50 HFAA O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4197091 GPLCFHHDVLLAFI-AWEZNQCLSA-N 403.481 2.684 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 4975773 PDCVFVBIDQBNGK-MRXNPFEDSA-N 421.563 2.693 0 50 HFAA O=C(NCCCO)c1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 9046288 JJKIJBUJTUDHFP-UHFFFAOYSA-N 415.540 2.878 0 50 HFAA C[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 11788299 YHLKFHMELWFJJK-KSFYIVLOSA-N 419.953 2.547 0 50 HFAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11819198 IJDMHUXFJXAQET-QGZVFWFLSA-N 408.477 2.842 0 50 HFAA COc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1OC1CCN(C(C)=O)CC1 11840520 FITOMCSGJSZBGP-LJQANCHMSA-N 404.507 2.726 0 50 HFAA CCOC(=O)N1CCC(NC(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)CC1 12581130 HAPXTFWKMQZWFX-UHFFFAOYSA-N 419.522 2.519 0 50 HFAA Cc1cc(C)n(CCC(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](OCC3CC3)C2)n1 14531563 FWHRTPAAQGFEIJ-JOCHJYFZSA-N 424.545 2.556 0 50 HFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3cccc(Br)c3)c2N)cc1 16649579 MFKBHECUNVJAEZ-UHFFFAOYSA-N 415.251 2.823 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 65362456 QUSMKOFYLQPUOR-UHFFFAOYSA-N 417.531 2.808 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3C)CC2)n1CCOC 67871604 NXXWZPVEEJRVBX-UHFFFAOYSA-N 421.563 2.675 0 50 HFAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccncc2)CC3)o1 77459452 GFJCVTXRYQKEJL-UHFFFAOYSA-N 411.483 2.660 0 50 HFAA O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1cscn1 225808488 QEVPWTDYYURHJN-UHFFFAOYSA-N 400.529 2.962 0 50 HFAA C[C@@H]1CN(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 241586406 OVSWOSZUUNCXRY-WBMJQRKESA-N 400.306 2.644 0 50 HFAA CCNc1cc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)ccn1 328595962 LYDLBYYVFIIKDO-UHFFFAOYSA-N 408.574 3.457 0 50 HFAA O=C1NC(=O)N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 469910642 PREPZWHXBQHFNL-INIZCTEOSA-N 403.360 2.749 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)CC3 498717482 RJQRQIYZBYYDPV-ZWKOTPCHSA-N 424.545 2.614 0 50 HFAA CCCOc1ccc(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 952981146 MAIVCDQHSDAYGL-INIZCTEOSA-N 414.955 2.966 0 50 HFAA COCCN(CCOc1ccccc1F)CC(=O)NCCc1ccccc1OC 1506423381 VUHQRYLXENSVNZ-UHFFFAOYSA-N 404.482 2.520 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)NCCc2nc(C(=O)O)cs2)cc1Cl 1506424214 JQWTZMKQOXOKPY-UHFFFAOYSA-N 411.288 2.678 0 50 HFAA CN(C)S(=O)(=O)CCCN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704300305 XNTJGNJMBPKHMJ-JOCHJYFZSA-N 414.575 2.705 0 50 HFAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(-c3ccc(Cl)cc3)[nH]1)C2 1704337075 TZUPZHRXQDCMSL-QAPCUYQASA-N 401.894 2.583 0 50 HFAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 1772501706 ZTQPCDAGNHDGLP-YADARESESA-N 412.530 2.735 0 50 HFAA C[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC32CCN(CC(=O)O)CC2)CCO1 1857690580 OEIOUMGSGXKIIS-QGZVFWFLSA-N 422.529 2.733 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@H](C)N(C)C)CC1 1857703143 VNNHFLSPVIBHSP-KRWDZBQOSA-N 407.562 2.754 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2ncccc2F)CC1 1857709534 CWMZCLKUSUWSAT-GOSISDBHSA-N 403.429 2.635 0 50 HFAA Cc1cc2c(cn1)CN(C(=O)[C@@H]1CC(=O)N(c3nnc(Cc4ccccc4)s3)C1)C2 1857719490 MZVCHZVVNGSGRD-QGZVFWFLSA-N 419.510 2.728 0 50 HFAA COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n1 1857738312 BQFJBMQZTSPPPL-SOLBZPMBSA-N 402.882 2.851 0 50 HFAA O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CCc2c(cnn2-c2ccccc2)C1 1875260583 MGHLJCIQYBTPLE-UHFFFAOYSA-N 423.423 2.879 0 50 HFAA C=CC(=O)N1CCC(C(=O)N(C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1875369501 RWNNPDVOIUJMSH-GOSISDBHSA-N 405.539 2.802 0 50 HFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I 728212 WARCGMRPZFWALK-CYBMUJFWSA-N 400.216 2.824 0 50 HFAA COc1cccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1 877201 HQNOZZTULNJVEA-UHFFFAOYSA-N 400.456 2.800 0 50 HFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 2875681 SEZJVZFQZMDKMR-MRXNPFEDSA-N 406.504 2.798 0 50 HFAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)[C@@H]1C(=O)c3ccccc3C1=N2 4112531 RZTIDMCOFQOKKN-CVEARBPZSA-N 405.841 2.816 0 50 HFAA O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2c2c1CCCC2 6659417 CYXWGLCSXYLJIF-UHFFFAOYSA-N 423.538 2.918 0 50 HFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N[C@H](C)c2nccs2)c1 11970449 VTLWKDCXYDQBCK-CQSZACIVSA-N 413.503 2.797 0 50 HFAA O=C(C1=CCCCC1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 12245796 PXTRIRMRLSHLAX-HXUWFJFHSA-N 408.546 2.859 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12583127 QYJIAQXDYCERQN-QFIPXVFZSA-N 417.481 2.586 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)c1ccccc1Cl 12750305 WBUWCKPCJJCCSH-INIZCTEOSA-N 405.926 2.711 0 50 HFAA CC(C)(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82125768 PUQQFYWBGFFQJG-GOSISDBHSA-N 400.567 2.837 0 50 HFAA COC(=O)c1ccc(C)c(S(=O)(=O)NCC(C)(C)CCCC(OC)OC)c1 170618786 CRHZBEDFTJUXLG-UHFFFAOYSA-N 401.525 2.875 0 50 HFAA CCOCCS(=O)(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 225656748 CBBRJQPWQNHXIS-NSHDSACASA-N 402.314 2.856 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 247843346 OUZIRWIGEAHBON-ZACQAIPSSA-N 418.515 2.709 0 50 HFAA O=C(N[C@@H]1CCn2ccnc2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 428340600 JYKZHWZPRFAZBS-OAHLLOKOSA-N 407.923 2.754 0 50 HFAA COCCNC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCN(C)CC2)c1C 824424420 VSDDJYPQRWLKDV-UHFFFAOYSA-N 409.530 2.973 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCOC3(CCOCC3)CC2)(c2ccccc2)CC1 1467331197 CMQARQRWPRVRQQ-UHFFFAOYSA-N 412.530 2.531 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C)cc2OC)cc1OC 1529189900 BOLYYZDCANUKEI-NHCUHLMSSA-N 401.459 2.595 0 50 HFAA Cc1cc(C(=O)N2CCCN(Cc3cccc(Cn4cccn4)c3)CC2)nc(C)n1 1529190434 IZMWOVSRBCUALW-UHFFFAOYSA-N 404.518 2.686 0 50 HFAA CCn1c(CNC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)nc2ccccc21 1857735378 AZRUDQMPKGQVPJ-ZDUSSCGKSA-N 412.519 2.700 0 50 HFAA CN(C[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc3c(c1)CCCC(=O)N3)CC2)C1CC1 2325718803 BNSWTGFIPGAIPX-KRWDZBQOSA-N 424.545 2.623 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 2325889312 JWUCCCBPSAGLSK-ZDUSSCGKSA-N 403.280 2.998 0 50 HFAA O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 2630713 PJOXJPADFUVYQS-UHFFFAOYSA-N 404.463 2.588 0 50 HFAA CCOC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1Cl 4594284 VJALGEGOWBCNKV-AWEZNQCLSA-N 411.892 2.927 0 50 HFAA Cc1ccc2[nH]nc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)c2c1 12300097 HACBSPOOSCCHBC-UHFFFAOYSA-N 411.550 2.713 0 50 HFAA COc1cc(CN2CCC(CO)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12612523 LLSDZPYPXWJLMF-QFIPXVFZSA-N 420.594 2.904 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C3Cc4ccccc4C3)CC2)CC1 12701890 FCQRCMUVXAWSBN-XMMPIXPASA-N 411.590 2.625 0 50 HFAA O=C(c1cnccn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14537416 ZERRECAXSFNXKJ-FQEVSTJZSA-N 408.502 2.679 0 50 HFAA COc1ccc(CNC(=O)C2CCN(Cc3nnc(-c4cccnc4)o3)CC2)cc1 41272212 NBZVJTSFRVBMRN-UHFFFAOYSA-N 407.474 2.669 0 50 HFAA O=C(N[C@@H](O)C(Br)(Br)Br)c1ccccc1 71769932 CSEMIJCRRLPIGW-QMMMGPOBSA-N 401.880 2.573 0 50 HFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100560756 FMFBOXILYKVMTR-INIZCTEOSA-N 400.818 2.749 0 50 HFAA COc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1Cl 230040602 HBNFQVOARRYRIC-DRXUAVOGSA-N 413.854 2.684 0 50 HFAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC(C(=O)N3CCCC3)CC1)C[C@H](C)O2 299789647 ZCUZWVPCEZOFFE-IBGZPJMESA-N 413.562 2.829 0 50 HFAA CCCc1c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cnn1-c1cccc(C)c1 435806508 DFJVFALIQGQVGI-HXUWFJFHSA-N 410.518 2.643 0 50 HFAA CN(C)CCN(Cc1cccc(OCCCCN2CCOCC2)c1)C[C@H]1CCCO1 1506403069 QKGABACWVCWXCK-XMMPIXPASA-N 419.610 2.720 0 50 HFAA CN1C(=O)COc2ccc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4CC3)cc21 1857670825 DLVWVQGGEIYFLJ-UHFFFAOYSA-N 402.454 2.673 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3c(C)cccc3C)CC(=O)N2[C@H]1c1ccccc1 1857731521 UDQAXNPFYDFXNX-IPJJNNNSSA-N 406.482 2.891 0 50 HFAA CCc1ccc2cc(C(=O)NC[C@]34CC[C@H]3CN(C(=O)/C=C/[S@](C)=O)C4)[nH]c2c1 2325872471 ZBKAGXYODRMEQM-ZNQQAEPLSA-N 413.543 2.591 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 1067053 JWFQWTMRWZJFAG-UHFFFAOYSA-N 401.410 2.957 0 50 HFAA Nc1cc(N)nc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 2862187 JGJALEBOWDSWAO-UHFFFAOYSA-N 405.534 2.516 0 50 HFAA COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl 4756890 HWCFDDANNDKISZ-UHFFFAOYSA-N 404.897 2.545 0 50 HFAA CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 11843512 APQBSTVVKVGYQZ-HSZRJFAPSA-N 423.557 2.805 0 50 HFAA CC(C)CCc1c(O)nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O 13382306 KBKLFGZNVSBONJ-UHFFFAOYSA-N 403.548 2.951 0 50 HFAA Cc1nn(C)cc1CN1CC(=O)N(CC(C)C)C[C@@H](OCc2cccc(F)c2)C1 14531846 BZFQQBFVSGISTE-NRFANRHFSA-N 402.514 2.753 0 50 HFAA O=C(O)CN1CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O 14632680 ZYSRRJZAOFHCSC-FQEVSTJZSA-N 408.454 2.991 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cccnc3)[C@H]4C2=O)cc1C 77406737 KTJSYWRTGVXXQJ-CIEVZJJWSA-N 403.482 2.643 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(F)cc4F)c2=O)CCCCC3)no1 169763975 GXAJQUCXZKWHPX-UHFFFAOYSA-N 402.401 2.675 0 50 HFAA COc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC 169768758 SKMLCKLXBWHSHA-UHFFFAOYSA-N 409.490 2.628 0 50 HFAA Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 225654990 GBEHASBWKBDYRQ-SJORKVTESA-N 401.308 3.000 0 50 HFAA C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 230138055 RCJZEOFAUUSDOA-HFTRVMKXSA-N 411.468 2.853 0 50 HFAA O=C1[C@@H](CC(=O)N2CCCC[C@H]2c2cccnc2)N=C(O)N1CCc1ccccc1 252527437 COSGCVWLPJTGJJ-UXHICEINSA-N 406.486 2.893 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 253420741 LJJNNLKABUTXSB-UHFFFAOYSA-N 416.528 2.696 0 50 HFAA CCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254698790 BMCSJWJPXZFKRA-XXIAVRJGSA-N 413.084 2.614 0 50 HFAA O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cc2c(O)ncnc2cn1 490230145 KNFOQOLMLQRZMX-NSHDSACASA-N 403.364 2.758 0 50 HFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(-c2ccccc2)on1 828228718 FIFWDPVLOZCLGP-UHFFFAOYSA-N 407.426 2.832 0 50 HFAA COc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)[C@@H](C)C2=O)cc1 1506407634 TXZQAXKOEOSNPC-INIZCTEOSA-N 418.515 2.747 0 50 HFAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529103959 ILKWTPCTYAQDET-NHCUHLMSSA-N 417.506 2.618 0 50 HFAA O=C1CC[C@H](N2Cc3c(NC(=O)c4cc5ccoc5cc4F)cccc3C2=O)C(=O)N1 2325895460 ATVSYNYOQDDVQD-KRWDZBQOSA-N 421.384 2.585 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3ccc(C(=O)N4CCCC4)cn3)C1)CC2 2356162871 RWEGCZOLDUYUIU-QHCPKHFHSA-N 406.534 2.658 0 50 HFAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 816873 WHBJWMKVMPCYMZ-ZDUSSCGKSA-N 408.476 2.506 0 50 HFAA COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 977790 VRBRRXSJQJWIKX-UHFFFAOYSA-N 411.863 2.589 0 50 HFAA COC(=O)C1=CN(Cc2ccc3c(c2)OCO3)C=C(C(=O)OC)C1c1cccc(O)c1 1130005 ZASOWGMJKULLTB-UHFFFAOYSA-N 423.421 2.834 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1C 7006698 FPHOUPKUNLHVCH-UHFFFAOYSA-N 421.519 2.684 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccncc1 8995453 KVFQXUHWEDMEFN-UHFFFAOYSA-N 423.922 2.605 0 50 HFAA CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O 12205592 OAZIWMPUHWRPKS-QHCPKHFHSA-N 417.525 2.567 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1cccs1)C2 14537153 IZHPUZKVLAHTOS-QGZVFWFLSA-N 416.591 2.763 0 50 HFAA COc1cc(F)ccc1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCSCC2)c1 72120801 UVBCFPSRTJLEOY-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 77287142 STYPJDDTMOPAOV-JCUDRXCFSA-N 421.497 2.540 0 50 HFAA CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2)C1CCSCC1 77288056 BWVCEANLIVAYOC-OZIGNCPNSA-N 404.576 2.845 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C 77555023 OLJWALIDDYWOPE-USKVXJDGSA-N 423.538 2.701 0 50 HFAA O=C(c1ccccn1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169778638 BKJXDRVHQZQRMC-UHFFFAOYSA-N 401.430 2.867 0 50 HFAA COc1cccc2c1OC[C@H](NC(=O)N(C)[C@@H]1CCCN(c3ccccc3)C1=O)C2 170628816 REVHOYUUCQINCX-IEBWSBKVSA-N 409.486 2.836 0 50 HFAA O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 252505123 VOUVGFKBAAMEFK-KRWDZBQOSA-N 422.934 2.603 0 50 HFAA CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 252515022 FVLRNGPGMMRJAP-CJNGLKHVSA-N 412.870 2.947 0 50 HFAA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 299754292 HWYDUEOURTYBOM-BJKUESEOSA-N 413.562 2.685 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)nn1 299775331 IGYYKTGVTGFZOX-UHFFFAOYSA-N 424.593 2.965 0 50 HFAA Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)cc1 470536736 FLUADHURFNJOII-QAPCUYQASA-N 408.458 2.951 0 50 HFAA CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)ccc1F 728576825 FVZSAJCHUNFUIW-HNNXBMFYSA-N 400.497 2.645 0 50 HFAA CCc1ccc(CN2C[C@@H](C(=O)N(C)Cc3nc(-c4cccnc4)no3)CC2=O)cc1 952989537 XKYHUOLLZMAOIQ-IBGZPJMESA-N 419.485 2.701 0 50 HFAA CN1C[C@]2(CCCN(Cc3ccc(OCCCN4CCOCC4)cc3)C2)CCC1=O 952989697 TUQRLEZSSBIIMT-DEOSSOPVSA-N 415.578 2.622 0 50 HFAA Cc1cccc(-c2noc(CN(C)CC(=O)Nc3nnc([C@@H]4CCCO4)s3)n2)c1 1529197599 SWIVUNUDQPYUOI-AWEZNQCLSA-N 414.491 2.819 0 50 HFAA CNC(=O)[C@H](C)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc3c(cc12)OCO3 1857526544 LJGOINZKVKKBFM-LBPRGKRZSA-N 410.426 2.630 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=N[C@@H]2CCCN(C)C2)CC1 1857687665 YRIMCXHWPGHUBW-HXUWFJFHSA-N 419.573 2.898 0 50 HFAA CC[C@@]1(C(=O)NCCc2nccn2C)C[C@@H]2CC[C@H]1N2C(=O)Cc1cccs1 1857698919 NRZRTRVRICKWQR-LUQKVYGDSA-N 400.548 2.543 0 50 HFAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CCc2nc3ccccc3s2)CC1 1857723946 DOXPDUMXURFVSK-UHFFFAOYSA-N 409.515 2.644 0 50 HFAA CC(=O)NC[C@H]1CCCCN1C(=O)c1csc(=NC[C@]2(C(C)(C)C)CCCO2)[nH]1 1875361158 SIKFLCNYQJNYNZ-IERDGZPVSA-N 422.595 2.703 0 50 HFAA Cc1ccc(-n2cc(C(=O)NCc3cnc(O)nc3O)c(-c3ccccc3)n2)cc1 2325737056 BJRVVZGDXVALEV-UHFFFAOYSA-N 401.426 2.979 0 50 HFAA C[C@H]1CCCc2cc(C(=O)N[C@H]3C[C@H](NC(=O)c4cc5n(n4)[C@@H](C)CCC5)C3)nn21 2325816592 FLHKXJWASGBXJV-VGWMRTNUSA-N 410.522 2.565 0 50 HFAA COCCN1CCC[C@]2(CCCN2Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1=O 2356154402 URUNUTGNUDCYKY-NRFANRHFSA-N 403.910 2.785 0 50 HFAA CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 827546 NNCTXPUWNBWVEL-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA CCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 4166190 OHYQEXRZIBLYKP-HXUWFJFHSA-N 408.502 2.715 0 50 HFAA COc1cc(CN2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)cc(OC)c1OC 11871067 UANNWUGRBFAPRM-SFHVURJKSA-N 420.550 2.998 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC(CCOc2ccccc2)(C(=O)OCC)CC1 12507431 WPAIENIREQMNAZ-UHFFFAOYSA-N 420.506 2.764 0 50 HFAA Cc1cc(C)n(CCCNCc2ccccc2OC[C@H](O)CN2CCCCC2)n1 12754530 ZGXCHTBEYONSIC-JOCHJYFZSA-N 400.567 2.905 0 50 HFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cnc3ccccc3c1)C2 14742683 ATYONFWDCBTADX-LJQANCHMSA-N 419.529 2.571 0 50 HFAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 14747058 YSEJIRROXLIJCW-QGZVFWFLSA-N 411.456 2.670 0 50 HFAA CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C 14962853 UGMQDINLBYGIQH-UHFFFAOYSA-N 413.503 2.999 0 50 HFAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2ccc(F)cc2)c1=O 14986707 UFPRQGUVSGLNPJ-UHFFFAOYSA-N 421.472 2.910 0 50 HFAA COc1ccc(/C=C/C(=O)NCCc2nnc(SCc3ccccn3)n2C)cc1 15071159 ILAQLITXPHGXMD-DHZHZOJOSA-N 409.515 2.883 0 50 HFAA COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3CCOCC3)cc2)cc1 17087750 LKOOSUCXLCRDPA-UHFFFAOYSA-N 407.517 2.525 0 50 HFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 100578383 CVNQOHUYQSEQKW-IBGZPJMESA-N 411.527 2.766 0 50 HFAA COc1ccc(C)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169752541 YQMUJFDGAOBCLO-UHFFFAOYSA-N 418.453 2.611 0 50 HFAA COC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc(C(C)=O)cc2OC)s1 170606268 URVGRJFICZWPAH-UHFFFAOYSA-N 413.473 2.626 0 50 HFAA COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)n2cc(Br)ccc2nc1=O 205947157 MEMXYBJNVLFVBQ-ZDUSSCGKSA-N 419.231 2.563 0 50 HFAA COc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1Cc1ccc(F)cc1)OCC(=O)N2 429868737 OIUFZCJIAPOCBQ-HNNXBMFYSA-N 420.462 2.561 0 50 HFAA C[C@@H]1Oc2ccc(NC(=O)CCCc3nc(-c4ccncc4)no3)cc2N(C)C1=O 952964630 AYXVJDUCBZLFEE-ZDUSSCGKSA-N 407.430 2.837 0 50 HFAA CCC(CC)N=c1cc[nH]cc1NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 1450364617 IDMSCHJWOJCGRI-UHFFFAOYSA-N 408.462 2.502 0 50 HFAA Cc1cccc(Nc2nc(N)nc(CN(C)C[C@H]3Cc4ccccc4CN3C)n2)c1 1529172351 KRVIQCLAQLBNEC-HXUWFJFHSA-N 403.534 2.994 0 50 HFAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)n2)c1 1857682914 QUNMTFAGGJTKMU-QGZVFWFLSA-N 413.474 2.708 0 50 HFAA COc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(C)cc(F)c3)C2)c1 1857684866 IBZZDXKFROQZDG-SJORKVTESA-N 406.479 2.772 0 50 HFAA Cc1sc(O)nc1C(=O)N1CCN(C(=O)C/C=C/c2ccccc2F)[C@@H]2C[C@@H]21 2325841259 LQTCTKIXDWZBDR-ZOESHWHXSA-N 401.463 2.825 0 50 HFAA Cc1nc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)C2CCC2)cs1 2356150017 IJIIGJNQBZRQQY-YYTDSSBASA-N 411.571 2.944 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 675630 XSXQAMUGGFFGDC-UHFFFAOYSA-N 421.544 2.609 0 50 HFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)C1 2808124 QNBOMQWFSFEVNC-SFHVURJKSA-N 412.515 2.695 0 50 HFAA COC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 4728041 IFKVVTYFZVRENX-UHFFFAOYSA-N 405.336 2.784 0 50 HFAA COc1ccccc1CCNc1ncnc2sc(C(=O)NCCCO)c(C)c12 12185645 VLVHRXJXVUVVIW-UHFFFAOYSA-N 400.504 2.775 0 50 HFAA COc1ncc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)cn1 12226214 LUTPVFSHDXLMKM-OAQYLSRUSA-N 402.445 2.892 0 50 HFAA COC(=O)c1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 12432345 DPYSZWIKYWYCMO-QFIPXVFZSA-N 407.514 2.900 0 50 HFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008837 NXTYLINOQRIMCV-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA CC(C)=CCN1CC(=O)N(CCCN2CCCC2=O)C[C@H](OCc2ccccc2)C1 14747641 GFTFHTDEOHNRIC-JOCHJYFZSA-N 413.562 2.695 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CCC2=O)c1 15007069 WUWDBGYMMBISOI-UHFFFAOYSA-N 407.514 2.706 0 50 HFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530940 GGBQEDFMBMTAPX-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA COCc1nnc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)s1 49551871 XRBQVILUCWXGIH-UHFFFAOYSA-N 407.455 2.700 0 50 HFAA CO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 55341730 KIIQKRNXRHNPGX-HXUWFJFHSA-N 405.564 2.919 0 50 HFAA COC(=O)CC1CCN(C(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)CC1 61722024 FXGCRZNUGXXHPN-UHFFFAOYSA-N 419.481 2.865 0 50 HFAA Cc1nc2c(cc1C(=O)Nc1cccc(Cl)c1)c(=O)[nH]c(=O)n2Cc1ccco1 67630423 HUUJBJKEDOCXNC-UHFFFAOYSA-N 410.817 2.940 0 50 HFAA CC(=O)N[C@@H]1CCN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)C1 91931310 DPEDYKKDRUQQFV-CYBMUJFWSA-N 400.460 2.522 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1CCO 107100199 PCYQMEKSPLBSBC-HXUWFJFHSA-N 400.519 2.868 0 50 HFAA COc1ccc(C2(C(=O)N3CCC(n4cc(-c5nc(C)no5)nn4)CC3)CC2)cc1 169780327 YBDNZIVUDZQWAW-UHFFFAOYSA-N 408.462 2.540 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 170603532 MNKQRHUWFBDNEP-IRZHHCKBSA-N 411.506 2.531 0 50 HFAA Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 229662212 ZHUIUFXUGYVAPI-WTNASJBWSA-N 422.525 2.974 0 50 HFAA COC(=O)[C@H]1C[C@@H](C(=O)N(C)Cc2ccccn2)[C@@H](c2cccc(Cl)c2)N1C 248143155 USSRWAZXEGYWOR-GUDVDZBRSA-N 401.894 2.928 0 50 HFAA CCc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCOC)cc1 253393119 SZYPNQFETGFYNH-UHFFFAOYSA-N 409.490 2.709 0 50 HFAA O=C(CN1CCCC[C@H]1c1nnc(-c2ccccc2F)o1)N=c1nc(C2CC2)[nH]o1 328608168 YJNISAWYZYFOGC-HNNXBMFYSA-N 412.425 2.724 0 50 HFAA C[S@](=O)C1(CNC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1 437613230 BAIMYWVCLTWTLE-MHZLTWQESA-N 423.848 2.502 0 50 HFAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)COc3ccccc3-c3ccnn3C)CC2)C1 478829735 SIGIIXQELUTXKN-SFHVURJKSA-N 424.545 2.963 0 50 HFAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1[nH]c2ccccc2c1Br 480721524 WSRHRJYVWVAOER-SNVBAGLBSA-N 404.186 2.823 0 50 HFAA Cc1ccc(C(=O)N2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)cc1N1CCNC1=O 1772712886 TVBLAGPKDAEGNL-PXDATVDWSA-N 418.541 2.819 0 50 HFAA CC(C)n1cc(-n2ccnc2-c2ccccc2OCC(=O)NC[C@H]2CCCO2)cn1 1857684847 HIUNYISFWZBDLW-GOSISDBHSA-N 409.490 2.991 0 50 HFAA O=C(c1c[nH]c(=O)cn1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857704660 ATMFAPCIGZHRCA-FQEVSTJZSA-N 424.545 2.872 0 50 HFAA COc1ccc2[nH]nc(CN3CCC[C@@]4(CCc5c(O)nc(N(C)C)nc54)C3)c2c1 1857741450 TVCLDZYEPVSVFB-JOCHJYFZSA-N 408.506 2.613 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)NS(C)(=O)=O)CCC(=O)N2c2ccc(C)cc2)cc1 1875391085 KAYZLWBIUKCEQQ-UYAOXDASSA-N 416.499 2.564 0 50 HFAA C[C@@H](C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1)n1cnc2ccccc21 11667796 BVOYDGQNAXEHHW-KRWDZBQOSA-N 423.561 2.579 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c(C)c1 11697571 LAOMWFNYYSENCX-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA CSCC[C@H](NC(C)=O)C(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12298807 YMULERTVOVULFC-SFHVURJKSA-N 412.983 2.741 0 50 HFAA COC[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)C1 12433840 BCMOXQNZZLTJAN-LJQANCHMSA-N 405.564 2.778 0 50 HFAA O=C1CC[C@H](C(=O)N2CCC(C(=O)N3CCCC3)CC2)CN1CC1CCCCC1 12702522 CYNLPQUYEKKDSU-FQEVSTJZSA-N 403.567 2.666 0 50 HFAA O=C(Cn1cccn1)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 12710647 VNCCZUZDYZEDIT-OAQYLSRUSA-N 401.599 2.852 0 50 HFAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 14742903 MZINYCMJTNMZSV-HXUWFJFHSA-N 410.562 2.967 0 50 HFAA CCN1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 20725325 MOEIJRKNSMTXFF-UHFFFAOYSA-N 407.518 2.728 0 50 HFAA CCCS(=O)(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 20910114 RKAJEFSXZTZVFP-UHFFFAOYSA-N 420.535 2.667 0 50 HFAA Nc1nn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc12 71422209 JUZMCEMMVNLOGB-UHFFFAOYSA-N 414.487 2.871 0 50 HFAA CNC1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 82146964 YMNVLNSDKNSQTM-JOCHJYFZSA-N 412.622 2.616 0 50 HFAA Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 115408379 GKVIPQTVJOFWSC-UHFFFAOYSA-N 419.341 2.999 0 50 HFAA COc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1 169780735 ZVGNVLKDJOAOTL-UHFFFAOYSA-N 412.465 2.820 0 50 HFAA CC(C)(C)c1ccc(C=c2sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 254816394 NGFWLPUXONZUAV-UHFFFAOYSA-N 403.507 2.947 0 50 HFAA COc1ccc(CN2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1Cl 328607896 XEUVHWQKLQHYAL-QGZVFWFLSA-N 418.925 2.579 0 50 HFAA COc1cccc([C@@H]2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C2)c1OC 952970531 LCKYZUYEBRBVOW-MRXNPFEDSA-N 409.490 2.707 0 50 HFAA Cc1ccccc1CC(=O)NC[C@H]1CCCN(C(=O)CCc2csc(N)n2)C1 952983333 UGCHHPGYHFYSAG-MRXNPFEDSA-N 400.548 2.564 0 50 HFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1coc(CN2CCOCC2)c1 1704349107 ZMZHTTQKVOHYLY-JPYJTQIMSA-N 421.497 2.648 0 50 HFAA COc1cccc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)c1OCCCN(C)C 1857701015 NXKOOVDMAGBXDA-QGZVFWFLSA-N 412.534 2.900 0 50 HFAA CC[C@@H](NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C)c1cn2cccnc2n1 2356168277 XBXIAHLECMGEIS-QGZVFWFLSA-N 417.469 2.888 0 50 HFAA COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 2849341 QTNXGNMRVXLVKY-UHFFFAOYSA-N 412.467 2.886 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4990144 FPTJOLPDKRHSFO-IBGZPJMESA-N 423.465 2.943 0 50 HFAA biogenic CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 8598807 MZPJUJBSAUUBPC-UHFFFAOYSA-N 415.515 2.831 0 50 HFAA COc1ccc(C(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11841900 IFYPEALSHIYEIO-DEOSSOPVSA-N 421.497 2.758 0 50 HFAA COc1cc(CNC(C2CC2)C2CC2)ccc1OC[C@H](O)CN1CCSCC1 15064423 ZPQLWKUUBMSLAX-LJQANCHMSA-N 406.592 2.762 0 50 HFAA O=C(O)CCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 15857600 UIPKGCUHWFSQGE-RVDMUPIBSA-N 421.247 2.794 0 50 HFAA CCn1cc(CN2CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)CC2)c(C)n1 20615778 MTDBAWHFDITHTC-UHFFFAOYSA-N 416.913 2.661 0 50 HFAA C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 20992267 DKAMZZGTLSLPJV-CQSZACIVSA-N 412.444 2.501 0 50 HFAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 34388272 MZRZYLMNEVRUDL-LTGZKZEYSA-N 404.470 2.869 0 50 HFAA Cc1cn2nc(-c3nc([C@H]4CCCN(C(=O)c5ccc(C)s5)C4)no3)cc2c(=O)[nH]1 169768872 HFZKHSAXAQYOGC-ZDUSSCGKSA-N 424.486 2.771 0 50 HFAA Cc1cc2ncn(C[C@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C 225835605 AVKXJJPNFZBAAI-GAJHUEQPSA-N 405.454 2.835 0 50 HFAA O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239402577 QUPXXFWXUSLVRA-NTNVJIBLSA-N 416.477 2.560 0 50 HFAA C[C@@H]1CCCCN1C[C@H](O)COc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)cc1 239412534 SUXCVKYOWFEMAD-CZYKHXBRSA-N 420.594 2.915 0 50 HFAA Cc1noc(-c2ccccc2)c1C(=O)NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239672684 BURYCGNZMSSJEP-RNIPGJKVSA-N 405.454 2.577 0 50 HFAA Cc1cc(Cl)cc(C)c1CNC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1 328605747 OZGFWRUWJCMBHC-KRWDZBQOSA-N 416.953 2.978 0 50 HFAA Cc1ccccc1Cc1noc(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)n1 431920278 FTEVHTPLZDZSRV-HSZRJFAPSA-N 402.454 2.948 0 50 HFAA Cn1cc(S(=O)(=O)NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cn1 747107410 DGOUQESEWRXKMQ-UHFFFAOYSA-N 416.406 2.681 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3nc(C)no3)C[C@@]2(CCc2ccccc2)C1 1772712252 LZATXXABRQAAHL-RXVVDRJESA-N 400.548 2.634 0 50 HFAA Cc1cccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C[C@@H]3C(=O)O)n1 1857696182 QHYHOSGAGGNNQA-HXUWFJFHSA-N 407.514 2.872 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1 1875322916 NLGAUIQEQIEJGA-VOQZNFBZSA-N 420.465 2.632 0 50 HFAA Cc1ccc(Br)c(CS(=O)(=O)NC(=O)c2ccc3c(c2)NCC3)c1 1875343397 HOOXCTLZGJQQMB-UHFFFAOYSA-N 409.305 2.985 0 50 HFAA CN1C(=O)[C@@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCN2C1=O 2325747443 RRWCLIVSIJEJES-HNNXBMFYSA-N 415.906 2.794 0 50 HFAA O=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)N[C@@H](C(=O)O)[C@@H](O)c1cccnc1 2325875837 CUGLMCVTUHJSPI-SJORKVTESA-N 408.376 2.825 0 50 HFAA Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1C 1112477 WSUOZUFUWARLKH-UHFFFAOYSA-N 417.531 2.846 0 50 HFAA N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 1730680 DEFAKPKFXYITPZ-HXUWFJFHSA-N 403.486 2.840 0 50 HFAA biogenic,in-vitro COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 2998239 CRIJDUDJRDZXOU-UHFFFAOYSA-N 420.506 2.594 0 50 HFAA biogenic CSc1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 12380879 BUVHGHZFDMDTLB-ZDUSSCGKSA-N 422.528 2.973 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCN(c4ccc(Cl)cn4)CC3)n2)cc1 12443363 NTJUWKDTSNSPJL-UHFFFAOYSA-N 413.865 2.894 0 50 HFAA Cn1cc(CNCc2cc(Cl)ccc2OC[C@H](O)CN2CCCCCC2)cn1 12465732 WDPMIONRGQQJSC-HXUWFJFHSA-N 406.958 2.979 0 50 HFAA O=C1CCC(C(=O)N2CCC([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)=NN1 12760075 YIPKDYJLAAVNSI-QGZVFWFLSA-N 402.926 2.667 0 50 HFAA Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14747686 OAOFANQWTQZQSX-HXUWFJFHSA-N 410.518 2.623 0 50 HFAA CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2nccn2C)C1 14750527 OZZRRGIKZHDPTP-ZWKOTPCHSA-N 402.514 2.993 0 50 HFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 16648826 JFZMHFXCKKKQJM-IBGZPJMESA-N 415.497 2.857 0 50 HFAA c1ccc2c(c1)COC(CN1CCN(CC3OCc4ccccc4CO3)CC1)OC2 19358922 HBRWENCAPJITJS-UHFFFAOYSA-N 410.514 2.750 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N(Cc1ccccc1)CC1CC1 23340330 AYHKSDSHMGMGOC-QFIPXVFZSA-N 409.505 2.955 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCC(c2ccccc2)CC1 55252447 JHKKCLKKSJKXCK-JOCHJYFZSA-N 409.505 2.922 0 50 HFAA CN(Cc1cnccn1)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71748179 RPHLZPAZNZXOID-DEOSSOPVSA-N 400.482 2.982 0 50 HFAA CO[C@H](C)c1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c1 71764342 BAVAEOODMADBSR-CQSZACIVSA-N 405.472 2.780 0 50 HFAA CCc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95388371 LLGYNYULHYJVGZ-QUCCMNQESA-N 402.539 2.584 0 50 HFAA O=S(=O)(NCc1nncn1C1CCCCC1)c1ccc(-c2nnc(C3CC3)o2)o1 828390850 MJFMXDDEORXHRQ-UHFFFAOYSA-N 418.479 2.782 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(CC)(C(=O)NC)CC1 1506429257 WLVUFNHNGHYHIR-UHFFFAOYSA-N 402.944 2.974 0 50 HFAA c1cnn(CCCN2CCC3(CC2)OCCc2cc(OCCn4cncn4)ccc23)c1 1857726955 INPRRFIIWRYODK-UHFFFAOYSA-N 422.533 2.508 0 50 HFAA Cc1nc2ccccc2n(CCCNC(=O)c2cnn(C)c2Cc2ccccc2)c1=O 1875265119 YOUGUEYDMTYIOR-UHFFFAOYSA-N 415.497 2.849 0 50 HFAA Cc1ccc(CC(=O)NCCCNC(=O)CCC(=O)c2cccs2)c(Cl)n1 2325825901 HCIJDJSKTREJRL-UHFFFAOYSA-N 407.923 2.933 0 50 HFAA C[C@@](O)([C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O)C(F)(F)F 2325877453 RKLSTVUTXOWUQG-SWLSCSKDSA-N 422.812 2.889 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)cn12 2356142091 DADZOLDUQDSDHY-QFIPXVFZSA-N 401.474 2.578 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 4840130 AUTVQCDVUCKAMG-UHFFFAOYSA-N 402.516 2.802 0 50 HFAA O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccn1 4842830 CDSNXWLTFLGBPY-HSZRJFAPSA-N 402.406 2.818 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 10332748 DXLJTMMYTZMSJJ-UHFFFAOYSA-N 413.849 2.816 0 50 HFAA CCc1nc(C)c(CN2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 12438101 JPSUSEMMZHOIPK-MRXNPFEDSA-N 400.523 2.940 0 50 HFAA CC(C)CNC(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 14988677 NTALTDOSJYOACR-UHFFFAOYSA-N 420.513 2.866 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCCn2cncn2)C1 15064692 WEKUJFPHEHRAFF-NRFANRHFSA-N 402.470 2.612 0 50 HFAA O=C1CCCN1CCCN1C(=O)CC[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 20166889 ZPFXFMRJCSUSCI-XLIONFOSSA-N 405.489 2.790 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2scnc2-c2ccccc2)o1 20911087 IDKGAOKWTJYYCX-GOSISDBHSA-N 424.526 2.718 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@H]2C(=O)NCC)CC1 22920732 LUSYZJAOMNAGQN-UWJYYQICSA-N 408.537 2.508 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)cc1 76929838 BYMFNXPWHCGWHW-INIZCTEOSA-N 406.504 2.736 0 50 HFAA Cc1cc2cccc(C(=O)N3CC[C@H](N4CCOCC4)[C@H](CCC(=O)O)C3)c2o1 91663202 QYYVHLIJKHGMET-MJGOQNOKSA-N 400.475 2.769 0 50 HFAA O=C(CN[C@@]1(CO)CCCc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 225648806 DLCXMHNXOTUKBT-PXDATVDWSA-N 422.525 2.935 0 50 HFAA Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1C 245230587 UXEPKKWDHVLPEV-ZCFNDQFVSA-N 422.275 2.745 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccn(C)c3c2)N=C1O 252572642 ZQXZPRRNCZAZNW-GOSISDBHSA-N 420.469 2.883 0 50 HFAA COc1ccc(CNC(=O)Nc2cnc(OC)c(C(N)=O)c2)c(OC2CCCC2)c1 474618326 YRUIBIOFRJYKQK-UHFFFAOYSA-N 414.462 2.841 0 50 HFAA Cc1ccc(C(=O)N2CCC(N3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)cc1 683284099 UKDLVCIQXRDXMV-XMMPIXPASA-N 403.482 2.993 0 50 HFAA C/C(=C\C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C(F)(F)F)cc1 754530729 NMKOMOPPAFLYAT-RPHSKFLZSA-N 406.408 2.783 0 50 HFAA CC[C@]1(C(=O)NCc2nnc3ccccn23)C[C@H]2CC[C@@H]1N2C(=O)c1cccc(F)c1 1704329876 DDCSMTUFRNNGKW-STSQHVNTSA-N 421.476 2.958 0 50 HFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704340079 SYOQHXBWOFTXPC-UXHICEINSA-N 405.520 2.851 0 50 HFAA Cc1ccccc1-c1noc(CCCC(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)n1 1857684828 GGKPARJQWVSTFG-QGZVFWFLSA-N 413.474 2.708 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4n[nH]c5c4CCC5)C3)nc2c1 1857708290 ZQSXUSWIJAVOMD-AWEZNQCLSA-N 409.490 2.971 0 50 HFAA NC(=O)[C@H]1CCCN(c2ccccc2CNC(=S)N[C@H]2CCc3ccccc3C2)C1 1875264453 JFCVCMYUMOPPRN-SFTDATJTSA-N 422.598 2.910 0 50 HFAA CSc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 1875320097 GQSIRIRUQJCFMK-OAHLLOKOSA-N 414.531 2.803 0 50 HFAA O=C(OCCc1ccc2c(c1)CCO2)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 2325870922 UUXAHJSPAIQCKC-FQEVSTJZSA-N 415.511 2.702 0 50 HFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 1134302 FTLHWWLVYWEZGF-MLRKJWDCSA-N 414.233 2.776 0 50 HFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCCn1cc(Br)cn1 2781156 FRRWAVPXOOUOJH-UHFFFAOYSA-N 414.613 2.871 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NCCc2cn3ccccc3n2)o1 11664509 MZSFQJBENZWIBF-UHFFFAOYSA-N 419.485 2.803 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 11873091 OQXOSKXFAULKMF-GOSISDBHSA-N 401.551 2.960 0 50 HFAA O=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)c1 12307687 MAKBCVFXUGUEIM-OAQYLSRUSA-N 409.486 2.560 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3cccc(F)c3F)cc12 14540350 JSASDHNJYTXLJR-UHFFFAOYSA-N 418.400 2.835 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)CC1 14975095 DJCLFQJLLLQXKO-NRFANRHFSA-N 400.567 2.546 0 50 HFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC 19211542 JKUZPKGXDBYTIB-UHFFFAOYSA-N 420.531 2.527 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC 19369742 CSUCQQNIZXGLJK-UHFFFAOYSA-N 400.475 2.759 0 50 HFAA biogenic CN(c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1)S(C)(=O)=O 72434003 FBUWIHMRWHNDHX-UHFFFAOYSA-N 407.923 2.698 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 82092929 NQEMKGASHHKHCI-OAQYLSRUSA-N 406.530 2.715 0 50 HFAA Cc1cccc(N2CCN(C(=O)CN3c4ccccc4[C@H](C(N)=O)C[C@H]3C)CC2)c1 230187713 GIAUJPUQBGTXDS-WIYYLYMNSA-N 406.530 2.511 0 50 HFAA CO[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 254794317 GTGUHWWGEYLROW-OCXROFOGSA-N 418.530 2.710 0 50 HFAA COCCn1ccc2c(OCC(=O)Nc3ccc(Cn4cncn4)cc3)cccc21 263588137 PMKDOOVQAKRRDG-UHFFFAOYSA-N 405.458 2.945 0 50 HFAA Cc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1 263616826 KSVPKWYGKDKDLV-UHFFFAOYSA-N 416.481 2.589 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cscn2)CC1 299801140 YQTSOKBDDYRRRK-LJQANCHMSA-N 405.495 2.553 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)s1 474422333 QPXLXJCMROVDRL-WKCOEPHCSA-N 420.600 2.789 0 50 HFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CO)(c2ccccc2)CC1 480051319 NZUFJPFASCBGSW-QHCPKHFHSA-N 419.525 2.768 0 50 HFAA COC(=O)CCN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C 953033929 HMOWUXGUTGEJFZ-UHFFFAOYSA-N 417.547 2.681 0 50 HFAA CC(=O)N1C[C@@H]2CN(C(=O)c3cc4ccc(Cl)cc4n3C)C[C@@]2(CCC(=O)O)C1 1772814291 RBDIAEZAXSHLSM-QVKFZJNVSA-N 417.893 2.617 0 50 HFAA Cn1nccc1-n1nc(Cc2c(Cl)cccc2Cl)nc1[C@H]1CC[C@@H](N)[C@H](O)C1 1857715635 ARZOFSNWTKQZEM-IUIKQTSFSA-N 421.332 2.854 0 50 HFAA CN=c1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)c[nH]1 2356145927 XWJCFAGNYBAMOW-KSCDAYEDSA-N 423.536 2.637 0 50 HFAA CCn1nccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356154124 ITRQQDHPTVJOBK-AQCRLBJHSA-N 406.530 2.987 0 50 HFAA O=S(=O)(c1ccc(NC(=S)NCCC2=CCCCC2)cc1)N1CCOCC1 1059388 SOSHJIMVVVPKDV-UHFFFAOYSA-N 409.577 2.884 0 50 HFAA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)N2CCOCC2)c1C 1065758 YZKCRQFSDZMERI-UHFFFAOYSA-N 416.499 2.887 0 50 HFAA CC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 1117860 SBHTVPZIHOZPMN-SFHVURJKSA-N 400.456 2.516 0 50 HFAA CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 1184593 PABRPFWEOFNBHW-GFCCVEGCSA-N 412.726 2.982 0 50 HFAA COc1ccc(C(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 2953962 NTYSKRSTXHTNLF-GOSISDBHSA-N 401.484 2.973 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1 3006006 RKUYOAYQZMQNPT-UHFFFAOYSA-N 408.889 2.913 0 50 HFAA COc1ccc(CCNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC 4183811 AEXYXRFGIYSQGU-UHFFFAOYSA-N 418.449 2.812 0 50 HFAA COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C 4764035 CEJRBPXRWXOFEP-PMACEKPBSA-N 412.486 2.838 0 50 HFAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 10035054 KXCCHIUCFQQUAT-UHFFFAOYSA-N 423.922 2.683 0 50 HFAA CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 11813203 IHIYLARYSIQVOG-RTWAWAEBSA-N 402.535 2.894 0 50 HFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCSCC2)c1=O 12453011 NBSYDOQGENOLRG-UHFFFAOYSA-N 405.564 2.756 0 50 HFAA O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 13282460 QJKFNFVWGVFUBU-SFHVURJKSA-N 412.412 2.869 0 50 HFAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)c1cc3c([nH]c1=O)CCCC3)CC2 14539028 JEJXYKMKYPWIGW-UHFFFAOYSA-N 415.493 2.818 0 50 HFAA COc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)c1 104512382 PTEUXMGFGQKMQY-HSZRJFAPSA-N 406.530 2.950 0 50 HFAA COc1ccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1 169776093 YUFDHBCCAFZFHQ-UHFFFAOYSA-N 418.457 2.914 0 50 HFAA CCOc1cc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC 170592043 OAWURKCEFIBCDH-KSSFIOAISA-N 403.928 2.573 0 50 HFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)C[C@@H]2C1 170619255 BTTOLKAVQXJMCF-GASCZTMLSA-N 422.909 2.979 0 50 HFAA Cc1c(S(N)(=O)=O)sc(C(=O)N(C)CCOc2ccccc2F)c1Cl 253430708 LCDHJAVDZDBQFY-UHFFFAOYSA-N 406.888 2.647 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)c3nncn3C)csc2C1 426471585 OPNOAOSKBFMCFY-LBPRGKRZSA-N 400.508 2.531 0 50 HFAA COc1ccc(C(=O)N=[S@](C)(=O)CC2CN(C(=O)Cc3ccc(C)cc3)C2)cc1 1875302335 LOHQADNGHORPIO-GDLZYMKVSA-N 414.527 2.943 0 50 HFAA CCS(=O)(=O)Nc1ccc(CN=c2[nH]c(-c3ccccn3)nc3c2CCC3)cc1 2325732492 YIBGNJMZINDXLQ-UHFFFAOYSA-N 409.515 2.823 0 50 HFAA O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(I)cc1 9432067 NDCWQGAGLYHFLR-MRXNPFEDSA-N 420.250 2.755 0 50 HFAA CCCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1N1CCCC1 10009849 HUMMSJXTENJAKC-UHFFFAOYSA-N 401.532 2.905 0 50 HFAA COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)cc1 11769832 GDHLQQSHFAFDCI-NRFANRHFSA-N 408.498 2.961 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 11879637 JEWATESOOMOJAS-SFHVURJKSA-N 407.449 2.991 0 50 HFAA CC(C)CC[C@@]1(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)NC(=O)NC1=O 11882312 OKLDTKJEUZXIHW-NRFANRHFSA-N 407.461 2.760 0 50 HFAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 12150305 IPMWRENQGCDWLT-HSALFYBXSA-N 419.525 2.783 0 50 HFAA CO[C@@H](C(=O)NC[C@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1)c1ccccc1 12163998 YTTSSBWHBOJQHH-DENIHFKCSA-N 417.465 2.655 0 50 HFAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 12432344 DPYSZWIKYWYCMO-JOCHJYFZSA-N 407.514 2.900 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N[C@H](CO)C(C)C)CC2)CC1 12715153 CKFONHYFXKWNQW-HSZRJFAPSA-N 401.595 2.805 0 50 HFAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](NCCc1ccncc1)C2 14535428 TYDYKQSQGDTJHA-LJQANCHMSA-N 407.493 2.574 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1 72434148 YDLKHINDWUFDHP-UHFFFAOYSA-N 409.534 2.675 0 50 HFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1 72436892 XJGCWKHOFSYTOW-UHFFFAOYSA-N 419.489 2.762 0 50 HFAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCC[C@H](C)N3CCCC3)CC2)cc1 72446916 HLFHQDSMKCNKFD-IBGZPJMESA-N 421.607 2.527 0 50 HFAA CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169752506 QRSZPHQHZZOPPS-UHFFFAOYSA-N 418.453 2.693 0 50 HFAA Cc1nc(-c2c3n(c(=O)n(Cc4cccc(Br)c4)c2=O)CCCC3)no1 169764027 OOCKYXJWMWFERN-UHFFFAOYSA-N 417.263 2.516 0 50 HFAA C[C@H]1CN(Cc2csc(NC(=O)Cn3ccc4ccccc4c3=O)n2)C[C@H](C)O1 225730366 REHSUMMKYNKOOF-GJZGRUSLSA-N 412.515 2.706 0 50 HFAA C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229511060 LJEQGJJOJBFCJQ-LDDOYCOJSA-N 411.502 2.829 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1S(=O)(=O)NC(C)C 253372357 FAVYGRFALVFNGT-DFBDCSAJSA-N 406.548 2.936 0 50 HFAA CCCC(=O)N1CCC([C@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 299764545 ALZNUXSYKPZKCG-QFIPXVFZSA-N 415.490 2.655 0 50 HFAA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 390832665 DYQJXDRCRMWMKS-NORZTCDRSA-N 417.333 2.621 0 50 HFAA CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)c1ccccc1 496446462 BTFXKRFEJDQDSS-NOXFTYBFSA-N 411.546 2.892 0 50 HFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)CCc2ccccc2F)C1 952991212 QJURNKLMFJQCEO-KRWDZBQOSA-N 400.498 2.696 0 50 HFAA Cc1cccc(NC(=O)CC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1C 1506406032 IXNZAAUOLZBKLT-UHFFFAOYSA-N 408.502 2.582 0 50 HFAA Cc1ccc(NC(=O)CNC(=O)COc2ccccc2)c(-c2n[nH]c(C3CC3)n2)c1 2325732872 UKFQWDLVGTUVHS-UHFFFAOYSA-N 405.458 2.791 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCc2cn(Cc3ccccc3)nn2)CC1=O 2325742974 FSDFPVAFTAVESX-PXNSSMCTSA-N 404.470 2.979 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 634824 XJKZAKFTINWYJT-UHFFFAOYSA-N 400.928 2.522 0 50 HFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 8844842 VNDYKXWEBOUXOI-MRXNPFEDSA-N 424.954 2.638 0 50 HFAA COC(=O)CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 12459019 YBZQGIVTFQXMRX-INIZCTEOSA-N 416.503 2.786 0 50 HFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C 14539932 RKIMOFLZVKQOMT-IBGZPJMESA-N 416.566 2.804 0 50 HFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1cnn(C)c1)CC2 14743336 DGEHLQVJOCISAF-UHFFFAOYSA-N 423.517 2.603 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC 14959874 QFUPBUDVEXEQNM-QHCPKHFHSA-N 412.486 2.994 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2CCN3CCC[C@@H]3C2)n1Cc1ccccc1 19732700 WNXFWIOTMREVQQ-HXUWFJFHSA-N 416.591 2.641 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(C)ccc2C)cc1 19810261 RRWJQGWYXYBZOQ-UHFFFAOYSA-N 415.559 2.581 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1C[C@@H]1CCCO1 20877776 BJJFPAGFUZAMNK-FQEVSTJZSA-N 405.564 2.920 0 50 HFAA CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 35800893 GGXJKAGOCXAUPJ-UHFFFAOYSA-N 415.559 2.756 0 50 HFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 65365393 XWLVCLVNJVPLNH-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA O=C(NCCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82107124 GZDPZTFSEKRJPW-JOCHJYFZSA-N 407.562 2.512 0 50 HFAA Cc1cc(S(=O)(=O)O)c(N/N=C2\C(=O)C(C(=O)O)=Cc3ccccc32)cc1Cl 113620361 WAQBLNKOZKHMNC-PGMHBOJBSA-N 420.830 2.762 0 50 HFAA in-vitro O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCN1CCOCC1 208207872 TUNNFARVTYKMJE-SDNWHVSQSA-N 413.362 2.983 0 50 HFAA CC(C)c1nc(NC(=O)[C@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)n[nH]1 409413129 DICPNCWALMJPIS-KRWDZBQOSA-N 418.457 2.766 0 50 HFAA CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 485823006 USFURWSBJXRMHZ-LBPRGKRZSA-N 402.451 2.615 0 50 HFAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc(N4CCOCC4)c(F)c3)n2)c1 683891819 YYDLRBAULFIFOP-AWEZNQCLSA-N 410.453 2.642 0 50 HFAA O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 827696490 PSPLFXQYUJOUBY-GFCCVEGCSA-N 413.890 2.923 0 50 HFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(OCCN4CCOCC4)cc3)C1)CC2 1704314906 XTUYJULZODKPOR-RUZDIDTESA-N 422.573 2.976 0 50 HFAA O=C(NCc1nnc2n1CCC2)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857671285 SFJXDRLKCOPXPI-UHFFFAOYSA-N 400.870 2.552 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccccc2F)C1 1857683373 RHERXWCRUWCTIF-ZFGGDYGUSA-N 417.569 2.697 0 50 HFAA Cc1ccc(-n2cc(CN3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)cn2)cc1C 1857698774 HULSBLPTJNJSMR-GOTSBHOMSA-N 408.550 2.726 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC2(CCC2)[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1875331557 NGSWJWSNFYTCJT-FQEVSTJZSA-N 410.518 2.784 0 50 HFAA CCn1ncn(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1=O 2325879556 ZFAITWFPJYXFSP-ZRDIBKRKSA-N 404.430 2.602 0 50 HFAA O=C(c1cccc(O)n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356146435 GFLYFYDBWGAVBQ-LQWHRVPQSA-N 401.466 2.992 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 652265 OHLZLYMALSONQO-UHFFFAOYSA-N 420.487 2.585 0 50 HFAA CCOC(=O)COc1ccc2ccccc2c1[C@H]1NC(=O)NC(C)=C1C(=O)OCC 831442 CZUWYJGSJAXRTR-FQEVSTJZSA-N 412.442 2.973 0 50 HFAA Cc1cc(C)nc(NC(=N)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 1890103 QTSIGPTXUOZXBX-UHFFFAOYSA-N 403.493 2.810 0 50 HFAA COc1ccc(OCCNC(=O)c2ccccc2OCC(=O)N2CCCCC2)cc1 4196521 QMJLWKAEMCPQHM-UHFFFAOYSA-N 412.486 2.895 0 50 HFAA NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 4593561 VZXYSALQMPDDOJ-UHFFFAOYSA-N 413.349 2.738 0 50 HFAA COCCNC(=O)c1cccc(OC2CCN(Cc3c(C)nn(C)c3Cl)CC2)c1 12315209 IJUOTAIJZRBJDC-UHFFFAOYSA-N 420.941 2.802 0 50 HFAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)c3cnc(C)cn3)CC2)c1 12430199 IEOFBOHBXYZFIF-UHFFFAOYSA-N 424.501 2.713 0 50 HFAA CCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCOCC1)C[C@@H]1CCCO1 12455253 JITCJTWPMCIMGT-FQEVSTJZSA-N 413.518 2.998 0 50 HFAA Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NS(C)(=O)=O 13681791 SIXFXFWKIHTBLZ-UHFFFAOYSA-N 401.532 2.946 0 50 HFAA CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2cccc(OC)c2o1 13856336 KRYFNZCFBYUNAB-UHFFFAOYSA-N 402.476 2.671 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14531254 LXDHCZCSKUSLKH-ZZXKWVIFSA-N 424.501 2.633 0 50 HFAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 14543369 VCCLJRHXQPLAJZ-UHFFFAOYSA-N 403.486 2.992 0 50 HFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 19838631 OPVHDHOLWNXRPD-SFHVURJKSA-N 419.957 2.840 0 50 HFAA O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22037181 MWVZBFVGSJDJHC-GOSISDBHSA-N 404.894 2.626 0 50 HFAA COc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 34847948 XPJMEUBQPNJZSQ-UHFFFAOYSA-N 404.532 2.779 0 50 HFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528538 DGLPRSKHOUTZHM-UHFFFAOYSA-N 404.518 2.840 0 50 HFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1nc(-c2ccccn2)cs1 49543790 SLOMNJRSBUCFBV-DZKIICNBSA-N 403.533 2.869 0 50 HFAA biogenic O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc2ccccc12 55041912 PNIASGHPYNDAGP-NRFANRHFSA-N 407.539 2.951 0 50 HFAA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCN(CCO)CC2)cc1 97506223 JGOSRDFBAZOPCV-UHFFFAOYSA-N 410.493 2.797 0 50 HFAA COc1cccc(CC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)c1 169779757 RDYJYQNXJQNKPQ-UHFFFAOYSA-N 406.486 2.826 0 50 HFAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)cs2)c1C 444735396 ZTUMBSHHGTZAMX-IUODEOHRSA-N 416.469 2.656 0 50 HFAA COc1cc(C)c(Br)cc1S(=O)(=O)N1CC(O)(c2ccccc2)C1 796208159 WTNLBBPEDJXULV-UHFFFAOYSA-N 412.305 2.658 0 50 HFAA COc1ccccc1-n1cc(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)C2)cn1 824835208 VGPLQTNYHRVGNP-UHFFFAOYSA-N 404.470 2.674 0 50 HFAA O[C@@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@H]1Cc1ccncc1 1529159578 SKKIEWZOBRSZDD-NFBKMPQASA-N 404.514 2.502 0 50 HFAA O=C(c1cc(-c2ccccc2)no1)N1CC[C@H]2[C@@H](C1)CN2C(=O)Cc1cccnc1 1775978885 QODJWMGMRMDWIJ-ICSRJNTNSA-N 402.454 2.652 0 50 HFAA O=C(O)c1n[nH]c2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2 1857681702 JPWKNQILMJAUCG-UHFFFAOYSA-N 400.442 2.914 0 50 HFAA COc1ccc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)COCc2ccccc2)cc1 1857684986 MKFNLZAUAQYQRR-VXKWHMMOSA-N 408.498 2.656 0 50 HFAA COc1ccccc1Cc1nc([C@H]2CN(C)CCO2)n(-c2cccc(C(=O)O)c2)n1 1857718799 UCMVYMZDGSLTIJ-LJQANCHMSA-N 408.458 2.568 0 50 HFAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1cc(-c3ccc4c(c3)OCO4)sc12 1857737338 IFVHILIPYJIYDZ-CYBMUJFWSA-N 401.484 2.915 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(c3ccc(-c4nccn4C)nn3)CC1)OCC2 2356154632 CTBGDWMFYUXXRP-UHFFFAOYSA-N 421.501 2.963 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Br 1075874 TVCPYIIUGWUVBZ-UHFFFAOYSA-N 411.321 2.969 0 50 HFAA CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 2072329 QTWBRZYWKLPHOI-KRWDZBQOSA-N 404.532 2.843 0 50 HFAA COC(=O)c1c(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)sc2c1CCC2 2797173 MZUNCEOLGOZIHI-UHFFFAOYSA-N 412.924 2.846 0 50 HFAA CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1 2837106 IFYQEXRCEOTBCX-LBPRGKRZSA-N 416.532 2.976 0 50 HFAA CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 2849377 LXEDPULMZVRJGA-UHFFFAOYSA-N 403.504 2.993 0 50 HFAA COc1ccc(CC(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1 2888779 ONMSGVJJNJGVFW-UHFFFAOYSA-N 412.515 2.854 0 50 HFAA CCOC(=O)COc1ccc(Cl)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 5064463 RGMZCSVVEAJCJU-MRXNPFEDSA-N 412.895 2.638 0 50 HFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2 14747350 JCTGKFRXFKTVMT-UHFFFAOYSA-N 407.474 2.533 0 50 HFAA CCN(CC)C[C@H](O)COc1ccc(CNCc2ccc3nonc3c2)cc1OC 14961913 FCKFXLJPMZCNNA-SFHVURJKSA-N 414.506 2.603 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 15066615 HBSUWQHTVUNIDB-GOSISDBHSA-N 407.873 2.730 0 50 HFAA OC[C@@H]1CCCN(c2nc3cc4c(cc3cc2CNCCCn2ccnc2)OCO4)C1 15067088 FKWNRJIYCXPYJO-QGZVFWFLSA-N 423.517 2.549 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 19808906 FNSYXMQSMAOBBW-UHFFFAOYSA-N 411.889 2.671 0 50 HFAA O=C(c1ccco1)N1CCCN(Cc2ccccc2-c2nc3c(c(=O)[nH]2)CCC3)CC1 48221854 RIFXFACMRFFLJC-UHFFFAOYSA-N 418.497 2.867 0 50 HFAA CCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c3cccc(C)c3n2)cn1 63882614 AZPJJMIAZYVPTJ-HNNXBMFYSA-N 403.486 2.865 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 65362909 OSXQLBHLVFVHDV-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(F)c(F)c1 169752546 VSUCHTYVVGYFKR-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA C[C@H]1CCCCN1CCNC(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 170609613 RMPHLIVZZCECSY-LBPRGKRZSA-N 408.446 2.944 0 50 HFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC 212914755 HPOQITHTTVZRHP-LJQANCHMSA-N 423.465 2.943 0 50 HFAA CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2nc(C(C)(C)C)no2)CC1 225670473 CLSDMSCYZNHORI-MRXNPFEDSA-N 408.543 2.912 0 50 HFAA CC[C@H]1CN(CCNC(=O)Cn2cnc3ccccc32)Cc2cc(OC)ccc2O1 299776637 BICQQQGQNLLPGB-SFHVURJKSA-N 408.502 2.834 0 50 HFAA CN1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952857605 QLQSNQNJRHPPCB-UPVQGACJSA-N 415.497 2.922 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 1704311355 GIJSBGLQJLEZPW-LJQANCHMSA-N 411.550 2.785 0 50 HFAA Cn1cncc1C(=O)N1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 1772817336 NBAVMYBWOUHMRB-UHFFFAOYSA-N 402.502 2.718 0 50 HFAA COc1ccc2nc(C(=O)N3CCCC[C@@H]3CCn3cc(C(=O)O)nn3)ccc2c1 1875351457 WRURRXRUUCCKPY-OAHLLOKOSA-N 409.446 2.618 0 50 HFAA CCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CC(C)(C)C)n1 2100482488 CYYVJSQFDNSPNB-MOPGFXCFSA-N 402.495 2.833 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cccc(N4CCNC4=O)c3)C2)c2cccc(=O)n21 2356137029 OUPSUCFLQQVVCH-NSHGMRRFSA-N 420.513 2.979 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1OC 1146974 KFYLVUQYOLSKCT-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA Cc1nc(NC(=O)CCn2nc(C)c(Br)c2C)sc1C(=O)N(C)C 2782207 WOEFACNGQLJGBS-UHFFFAOYSA-N 414.329 2.758 0 50 HFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 5034688 CVNQOHUYQSEQKW-LJQANCHMSA-N 411.527 2.766 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@H](C)N1CCCC1=O 12748315 MIDMFLBHZCIDGH-SFHVURJKSA-N 419.541 2.524 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1cc2cc(Cl)ccc2[nH]1 19745200 OBNKDSVUUCIMIQ-NRFANRHFSA-N 424.932 2.871 0 50 HFAA CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 21726595 HVKDHPZIFZFIQH-MRXNPFEDSA-N 403.446 2.800 0 50 HFAA CN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(Cl)c3)cc2)CC1 23374913 SFERWGNCWISTDO-OAQYLSRUSA-N 403.954 2.617 0 50 HFAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 65362339 DGQYATXXFCAJRA-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA COCCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2C1 77302316 OFXYIUYEKNKCAS-MRXNPFEDSA-N 402.516 2.647 0 50 HFAA CCOc1ccccc1C(=O)N1CCC2(CCC(=O)N(CCCN(C)C)C2)CC1 95383900 AUHMDDSLZKPGKN-UHFFFAOYSA-N 401.551 2.882 0 50 HFAA CN1CCN(C[C@@H](O)COc2ccc(CN3CCC(C(C)(C)C)CC3)cc2)CC1 95531749 DWFJADBHJBRDTB-JOCHJYFZSA-N 403.611 2.932 0 50 HFAA COc1ccc(C(=O)C[C@@H](C)C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 170594474 DVNDDJOFOHQKNT-QGZVFWFLSA-N 424.497 2.897 0 50 HFAA COc1ccccc1CN1C(=O)N[C@H](CC(=O)Nc2cc(F)c(F)c(F)c2)C1=O 206229778 ZCXNACJKJDSNOX-CQSZACIVSA-N 407.348 2.562 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1 206231999 PJCHCSUNYLBQNZ-MRXNPFEDSA-N 424.482 2.797 0 50 HFAA CC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)cc1 484105440 BYJQFDOCQHPIDC-UHFFFAOYSA-N 416.275 2.931 0 50 HFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 783938651 IJMQZJHZNMNOIM-DJIMGWMZSA-N 402.495 2.943 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CN1Cc1ccncc1 1506405909 CTHZHKLOCCZNLP-QGZVFWFLSA-N 421.476 2.852 0 50 HFAA Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)/N=c3/ccnc4n(C)[nH]cc3-4)c12 2325703429 UIVSCSQITPPDRR-QRQIAZFYSA-N 424.468 2.909 0 50 HFAA Cc1ncc(S(C)(=O)=O)c(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1 2356159368 XOLJNNPMKGYBBE-UHFFFAOYSA-N 412.515 2.738 0 50 HFAA COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 817064 ZUEOZLLTYYJEEU-UHFFFAOYSA-N 404.488 2.522 0 50 HFAA COC(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 881802 UUNKEXUXWGASCA-UHFFFAOYSA-N 404.444 2.626 0 50 HFAA Cc1ccccc1CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 1143146 VUXNSVIFFJHNAI-UHFFFAOYSA-N 422.934 2.698 0 50 HFAA Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(F)c1 2885205 YNDSDGJFENALTM-UHFFFAOYSA-N 417.441 2.754 0 50 HFAA C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 6710084 ZGUMOTWQQHWILU-INIZCTEOSA-N 421.950 2.843 0 50 HFAA CCc1nc2cc(C(=O)NC[C@@H](C)O)cc(NC(=O)c3ccccc3OC)c2n1C 11840865 KDJNZHXDICTDSD-CYBMUJFWSA-N 410.474 2.507 0 50 HFAA O=C(CCC1CCN(C(=O)Cc2ccccn2)CC1)N1CCN(c2ccccc2)CC1 12298843 YRBVPICLMZRTCE-UHFFFAOYSA-N 420.557 2.992 0 50 HFAA CC[C@H]1CN(CCNC(=O)Cn2ncc3ccccc32)Cc2cc(OC)ccc2O1 12450520 WCNXKRKTGXMBBZ-IBGZPJMESA-N 408.502 2.834 0 50 HFAA CSCCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12470848 DSLFKONFQPYERE-UHFFFAOYSA-N 420.984 2.626 0 50 HFAA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2cn(C)nc2C)c1C 20602574 PUGKOFVAFGNWDD-UHFFFAOYSA-N 401.536 2.687 0 50 HFAA COc1ccc(C)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3)CC2)n1 54147172 XIDYBRJUEXATLG-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA O=C(NCc1ncc[nH]1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67675686 KARREVKNXAXUGJ-QGZVFWFLSA-N 402.502 2.888 0 50 HFAA COc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(C)cc3)CC2)c1 169770197 CCHLKGOEMMIOGD-UHFFFAOYSA-N 406.486 2.957 0 50 HFAA Cc1ccc(Br)c(CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 225414751 DFAJZVFWKMXCGG-HNNXBMFYSA-N 403.324 2.995 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 225428890 DBNXODGUIPCCQD-FADBTOOJSA-N 418.545 2.684 0 50 HFAA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCc1nc(-c2ccncc2)no1 225461416 VWJNYOUKCIMRKN-GDBMZVCRSA-N 415.494 2.826 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)ccc1OC 252516125 QESMWSNNXJTCIK-SXGZJXTBSA-N 418.515 2.594 0 50 HFAA Cn1ccc(N2CCC[C@@H](NCC3(c4ccc(Cl)cc4)CCOCC3)C2=O)n1 439563202 APGBZKYRNMRVBN-GOSISDBHSA-N 402.926 2.907 0 50 HFAA NS(=O)(=O)Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 478249022 GPPMSTFRLFCLEU-UHFFFAOYSA-N 424.404 2.932 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)CCc3ccccn3)C2)cc1 952980291 JYHPAQYIHYFEJD-SFHVURJKSA-N 401.532 2.540 0 50 HFAA O=C(O)CC[C@]12CN(CCC(F)(F)F)C[C@@H]1CN(C(=O)CCc1ccncc1)C2 1772706109 OROZZGMRIGGWIL-VQIMIIECSA-N 413.440 2.592 0 50 HFAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(Cc3cccc4cc[nH]c34)[C@H]2C1 1857679595 NVYKKCZXWKRSJQ-XUZZJYLKSA-N 410.562 2.749 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCC4CCOCC4)CC3=O)sc2c1 1857709857 VHENILMZQOLHFM-AWEZNQCLSA-N 403.504 2.591 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)[C@H]1c1ccccc1 1857722312 GTKOVWGPFGOPDS-VXKWHMMOSA-N 406.486 2.926 0 50 HFAA CCCO[C@@H]1C[C@@H](c2nc(COc3cccc(F)c3)nn2CCCO)CC[C@H]1N 1857723157 XEYXFCZICFJUNX-KFKAGJAMSA-N 406.502 2.769 0 50 HFAA Cc1ccc(S(=O)(=O)c2nc(-n3nc(C)cc3C)sc2N2CCOCC2)cc1 1857800191 WTIJCUPMAAQODE-UHFFFAOYSA-N 418.544 2.923 0 50 HFAA Cc1ccc(CCC(=O)N[C@H]2CC[C@H](C(=O)N3CCC(F)CC3)C[C@@H]2O)c(C)c1 1875243531 KSMXPGCCBOFPKT-JBACZVJFSA-N 404.526 2.842 0 50 HFAA Cc1nc(C(=O)CNC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cs1 2325852457 GVVBACRWXPNXGL-UHFFFAOYSA-N 402.501 2.582 0 50 HFAA Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356154869 NNVJYJXQVQCDJK-DXIQSLLYSA-N 402.498 2.852 0 50 HFAA CCCO[C@@H]1C[C@@H](C(=O)N(CC)Cc2nccn2C)CC[C@H]1Nc1ncccn1 2356162220 CDVHXPIYPGIBFY-RCCFBDPRSA-N 400.527 2.635 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CN2CCOc3ccccc3C2)CC1 2356166385 VTVAFDHEYGSXSW-UHFFFAOYSA-N 422.525 2.980 0 50 HFAA CCC(=O)N1CC2(c3ccccc3)CN(C(=O)CC)CC(c3ccccc3)(C1)C2=O 2883696 LZFGNPZCNNUMIZ-UHFFFAOYSA-N 404.510 2.936 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3ccccc3N(C)S(C)(=O)=O)CC2)c1C 6701237 DGTMMRXLWDSCQJ-UHFFFAOYSA-N 401.532 2.662 0 50 HFAA CCCCn1c(CN2CCC(C(=O)N3CCCCC3)CC2)cnc1S(=O)(=O)CC 12307399 VCZOYCGKUAAGRW-UHFFFAOYSA-N 424.611 2.701 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 12382687 IMKXAEVDHUDFDQ-IWQHBPENSA-N 406.475 2.638 0 50 HFAA NC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 14980682 ZWFALFFUFNHZJE-CQSZACIVSA-N 416.909 2.850 0 50 HFAA C[C@@H](Cc1cccnc1)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19745048 BHOOAAIQBBOAHH-IBGZPJMESA-N 419.529 2.748 0 50 HFAA CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)CC1 20101847 CTMWSVLNVTXNKE-INIZCTEOSA-N 410.518 2.857 0 50 HFAA COc1ccc(-c2n[nH]cc2CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(F)c1 20599508 VXCSWMPMRBAYOJ-KRWDZBQOSA-N 409.465 2.900 0 50 HFAA COc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C 20996989 LMSYKYOGOYMSSI-UHFFFAOYSA-N 423.517 2.527 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 22852924 WKGLPHKYIXGYTP-HSZRJFAPSA-N 415.553 2.835 0 50 HFAA COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O 65363769 RBWVIUHIPHVMOO-INIZCTEOSA-N 406.442 2.528 0 50 HFAA Cc1c(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)[nH]c2ccc(F)cc12 92002510 UTANTYJWWBFOGB-JPYJTQIMSA-N 402.558 2.826 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 239347100 MCOZDZJHNKOQRG-APNJTCTJSA-N 410.514 2.670 0 50 HFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O 252457408 GJPBVMPIKZPHIS-IKDJWVMYSA-N 406.914 2.915 0 50 HFAA C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)C[C@@H](C)O1 252517345 GISHIEGMJYIICV-GEUONTQJSA-N 404.532 2.715 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F)C(=O)OC 252517656 ODNIKYXMQGDJFM-LIXBPZJASA-N 406.433 2.933 0 50 HFAA C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 684751274 GVVLJDPTXFXBAW-LSDHHAIUSA-N 411.535 2.777 0 50 HFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cc3c(s1)C1(CCNCC1)OCC3)CCC2 2356145935 YAMYACYGZRUBNN-OAHLLOKOSA-N 400.548 2.749 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 791774 RUBTYKXXGLZEJQ-HNNXBMFYSA-N 402.472 2.763 0 50 HFAA COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc2ccccc12 5068210 DSAFETTUNFGJDC-HXUWFJFHSA-N 417.465 2.818 0 50 HFAA CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C(=O)N1CCOCC1 6742024 QYPOMAQEIRGJFI-LSDHHAIUSA-N 406.504 2.697 0 50 HFAA O=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1cccc(Cl)c1 11697884 FIKBUOFTQMNEMT-UHFFFAOYSA-N 404.883 2.659 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4ccc(CO)o4)C3)C2=O)c1 11878617 AUDUINFYVBRZLU-JOCHJYFZSA-N 402.466 2.934 0 50 HFAA CCc1cc(C(=O)NCc2cc(NC(=O)c3ccco3)cc(C(=O)OC)c2)n(C)n1 12036957 NYMDNEWVKUHFJA-UHFFFAOYSA-N 410.430 2.544 0 50 HFAA CCN(CC)CCN(CC)C(=O)CCc1nnc(CCc2ccccc2OC)o1 12438795 ILMRJROFCMFSQE-UHFFFAOYSA-N 402.539 2.986 0 50 HFAA COc1ccc(F)c(C[C@@]2(CCC(=O)N[C@H](C)Cc3ccccn3)CCC(=O)N2)c1 14997066 VVMABUIYHCFNAQ-WAIKUNEKSA-N 413.493 2.948 0 50 HFAA CCOC(=O)c1sc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)nc1C 20168253 PHROJIQTPQHZDT-UHFFFAOYSA-N 406.483 2.528 0 50 HFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1 55108706 KVHIUZBIMYPEGB-OAQYLSRUSA-N 412.578 2.511 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 55679763 JISTUPHWRWIMBY-UHFFFAOYSA-N 402.516 2.918 0 50 HFAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101316906 UACHUGDAXCCLKD-SYWGBEHUSA-N 405.292 2.981 0 50 HFAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1OC 169764153 PRLFTMSRVSINGQ-UHFFFAOYSA-N 414.437 2.510 0 50 HFAA COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(C(=O)OC)c1C 239386640 PUYKTQZJBQVOMB-STQMWFEESA-N 415.533 2.831 0 50 HFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC1(N2CCOCC2)CCCCC1 302795669 ZNYAKHKWAKGHNG-JOCHJYFZSA-N 413.562 2.674 0 50 HFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(=Cc2ccccc2F)CC1 465082239 DDYMGHHFOPXJFO-UHFFFAOYSA-N 421.480 2.581 0 50 HFAA O=C([C@@H]1Cc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 741884320 BLOSWGZTBXQZMX-MRXNPFEDSA-N 424.444 2.878 0 50 HFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC(CNC(=O)c2cc(C)on2)CC1 952984211 JAOGSEXAYXRNFH-UHFFFAOYSA-N 401.511 2.680 0 50 HFAA COCCC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCC2CC2)C1 1875250312 OHWWYRDBQDMMER-HSZRJFAPSA-N 400.567 2.861 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@H]1CCN(c2ccccc2)C1 2356137456 YYMIZUODJMHOOX-IBGZPJMESA-N 403.482 2.973 0 50 HFAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)cc1 880962 YCQAUCRSINJRLY-UHFFFAOYSA-N 412.471 2.993 0 50 HFAA COC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 1122513 INWHZLCPDFXBBO-UHFFFAOYSA-N 414.277 2.826 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2857521 PBIHLKWZJCLJKY-UHFFFAOYSA-N 423.878 2.607 0 50 HFAA CCOC(=O)C(=O)Nc1sc(C(=O)NC2CCCCC2)c(C)c1C(=O)OCC 4618949 KJDPRGXZWRAWKS-UHFFFAOYSA-N 410.492 2.797 0 50 HFAA CC[C@@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 4698962 LYGQFQMZLSHWHN-JKSUJKDBSA-N 419.503 2.795 0 50 HFAA CCn1cc(C2=NO[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c(C)n1 6802827 SDZZWEBMFIHKKN-LJQANCHMSA-N 401.898 2.707 0 50 HFAA COC(=O)[C@H](CCSC)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12112079 YWINQNATNQCNBU-SFHVURJKSA-N 424.526 2.940 0 50 HFAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12709972 UCUWTXPTTOLZIP-QHCPKHFHSA-N 423.557 2.975 0 50 HFAA Cc1noc(C)c1CO[C@H]1CN(C(=O)Cc2ccsc2)CC(=O)N(CC(C)C)C1 14534673 OOJJKHLHWDNLSI-GOSISDBHSA-N 419.547 2.808 0 50 HFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(CC(C)(C)C)CC2 14534717 OSLHQRKXKITTHA-UHFFFAOYSA-N 417.550 2.987 0 50 HFAA OC1CCN(C[C@H](O)COc2cccc(CNCc3ccc(Cl)s3)c2)CC1 15068991 WESNUIJHLVQGBU-KRWDZBQOSA-N 410.967 2.888 0 50 HFAA O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 16607363 ZTSICVHOQIWPEJ-UHFFFAOYSA-N 424.320 2.884 0 50 HFAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCC(CCc2ccccc2)CC1 55568642 HAKOJBWTYBEMFE-QHCPKHFHSA-N 420.557 2.644 0 50 HFAA C[C@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1n[nH]c(=O)[nH]1 67817895 NKYPDBWGQPAWJB-QMMMGPOBSA-N 422.392 2.984 0 50 HFAA Cc1nc2cc(OCc3nc(C(=O)N4CCC[C@@H](C(N)=O)C4)co3)ccc2s1 91445234 OWWUTIWVKABXNN-GFCCVEGCSA-N 400.460 2.509 0 50 HFAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1C(=O)c1ncn[nH]1 95527316 KYVOVWZFSKDGJQ-INIZCTEOSA-N 402.414 2.856 0 50 HFAA O=C(c1cccc(CNc2ncnc3c2cnn3-c2ccccc2)c1)N1CCOCC1 139983621 OKICZOYVQYPFQI-UHFFFAOYSA-N 414.469 2.900 0 50 HFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 608147850 SEBIDMLILAMRFX-MRXNPFEDSA-N 413.503 2.810 0 50 HFAA Cc1c(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc2n1-c1ccccc1 827820392 GIIINAHGYGOCCF-IBGZPJMESA-N 404.470 2.586 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1c[nH]nc1C1CCCCC1 828138394 NNIYYSDNRSYOSQ-UXVFNKRRSA-N 419.573 2.755 0 50 HFAA COc1ccc(-c2cc(CNC(=O)c3sc(N4CCOCC4)nc3C)no2)cc1 1857731337 FDFXOTHVEBTQMG-UHFFFAOYSA-N 414.487 2.882 0 50 HFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875288319 WWRRPJUAIJVJPP-WJVAMHIQSA-N 416.485 2.518 0 50 HFAA O=S(=O)(Nc1ccc(I)cc1)c1ccc2c(c1)OCCO2 827578 YWVHKJLCIGDAMC-UHFFFAOYSA-N 417.224 2.863 0 50 HFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 1161088 CPNPSYWJXWJBRN-UHFFFAOYSA-N 413.293 2.717 0 50 HFAA COCCN1CCn2c(nc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc32)C1 5207482 KRGUZBKAVSCCDB-UHFFFAOYSA-N 420.922 2.953 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCC(F)(F)F 19939261 WCOQZDHDWANKRP-SFHVURJKSA-N 421.419 2.848 0 50 HFAA Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)c2ccoc2)C1 23128433 YWSXXBAFJPOCAQ-QGZVFWFLSA-N 416.547 2.822 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C(C)C)s3)n2)c(F)c1 49550792 DMSSHUPGWGWOPZ-UHFFFAOYSA-N 403.439 2.672 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 65362910 DLSVBYKBJPTNDJ-UHFFFAOYSA-N 419.522 2.540 0 50 HFAA O=C(NC1CCOCC1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82120788 XKJHIYSDKGEJMM-QGZVFWFLSA-N 412.534 2.804 0 50 HFAA COc1cccc(CC(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)c1 169776285 UMKHFLNPMRURFP-UHFFFAOYSA-N 404.430 2.524 0 50 HFAA COC(=O)c1cc(F)c(Br)c(S(=O)(=O)Nc2cc(C)ccn2)c1 170598275 MFNWRXKAJPOTSN-UHFFFAOYSA-N 403.229 2.879 0 50 HFAA Cc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239231214 VDJVEHWSSJFZGC-GWIBLVFBSA-N 403.276 2.892 0 50 HFAA O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1nc(-c2ccsc2)no1 263615265 BNDMVLOYFZXVND-UHFFFAOYSA-N 423.429 2.954 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c1 263615476 CQAUNYXQLPMJCH-OAQYLSRUSA-N 421.476 2.960 0 50 HFAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1n[nH]c2c1CCCCC2 670440806 QYPJJDUNCSAGGO-UHFFFAOYSA-N 402.804 2.829 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@H](OCc4ccccn4)C3)CC2)c1 1506430289 AKUBXJOCJZCBSD-QHCPKHFHSA-N 408.546 2.720 0 50 HFAA COCc1cc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)ccc1OC 1529191301 WKOUIBVLVVQUFO-DHIUTWEWSA-N 417.502 2.793 0 50 HFAA O=S(=O)(Nc1cc2c(O)nccc2cc1F)c1ccc(N2CC[C@@H](O)C2)s1 1772598309 DSUZLJDXUJUTGI-LLVKDONJSA-N 409.464 2.513 0 50 HFAA O=C(NCc1nnc2n1C[C@@H](C(=O)O)C2)OCC1c2ccccc2-c2ccccc21 1775954998 GOOICKRNWVSZAD-ZDUSSCGKSA-N 404.426 2.574 0 50 HFAA CCOc1cccc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 2325723329 BQSWAEJMKCCCGV-CQSZACIVSA-N 417.483 2.968 0 50 HFAA Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 1058160 CSMNCCQFSPSUPU-UHFFFAOYSA-N 416.499 2.828 0 50 HFAA Cc1cc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)ccc1Br 1116662 ZESJBSXKJHHHTD-UHFFFAOYSA-N 403.342 2.972 0 50 HFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4411333 AZCNJEFLSOQGST-RYLQBCMBSA-N 404.503 2.641 0 50 HFAA CC[C@H]1CN(CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 11782776 HDUBMSQJVWQBRC-KRWDZBQOSA-N 400.523 2.955 0 50 HFAA CSc1ccc(C[C@@]2(CCC(=O)NCc3cn(C)nc3C)CCC(=O)N2)cc1 12158341 VJEILKIMFUOFRU-OAQYLSRUSA-N 400.548 2.738 0 50 HFAA CC[C@@H](C)CC(=O)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12308301 UBNUGEDFIMZBSL-GOSISDBHSA-N 400.567 2.837 0 50 HFAA O=C(NCCCN1CCCc2ccccc21)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12314360 RHPVCKXZFHTTBP-NRFANRHFSA-N 420.557 2.822 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)=O)n[nH]2)C1 12316738 ATRREPSHJARJJU-OAQYLSRUSA-N 401.438 2.780 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3)cc2)CC1 12708760 YFVOYXBEGUSUKX-QFIPXVFZSA-N 412.530 2.601 0 50 HFAA O=C(NCCc1ccccc1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 13545247 UDPYKVFGKWMUNY-OAQYLSRUSA-N 415.559 2.770 0 50 HFAA COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccc4c(c2)OCCO4)O3)nn1 14954009 VMDBYHGIQSIJCF-KRWDZBQOSA-N 419.437 2.657 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)cc1 55575853 BXQIXIYVFAMIHC-HXUWFJFHSA-N 401.457 2.622 0 50 HFAA Cc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2Cc1ccco1 67640720 CLASAYMFOGYZCZ-UHFFFAOYSA-N 410.817 2.940 0 50 HFAA CCN1CCN(CCCN2CC3(CCN(Cc4cccc(C)c4)CC3)OC2=O)CC1 72407444 BAIFWOVNNNMUEW-UHFFFAOYSA-N 414.594 2.809 0 50 HFAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 82157666 UEXHOTPVPVOPKC-NRFANRHFSA-N 407.562 2.602 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2nc(C)no2)c2ccccc12 170594037 RIKVGDOMWOOPEB-MRXNPFEDSA-N 403.460 2.692 0 50 HFAA COc1ccc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cnc2c1 206256271 FRBGLANNRHHNCI-GOSISDBHSA-N 404.426 2.713 0 50 HFAA CC(C)(C)[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 239174307 PSXHFTHTVFDMEV-WLHCIVTGSA-N 402.516 2.706 0 50 HFAA O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1nnnn1-c1ccccc1 239672486 BTGRFLBPRMLHKH-MOXQZVSFSA-N 403.486 2.910 0 50 HFAA C[C@H]1[C@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 253431312 PEQMJYUIJFBMBN-XJKSGUPXSA-N 407.392 2.942 0 50 HFAA Cn1c(=O)nc(O)c2cc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cnc21 485374432 OSQMSXRHHVOGIC-UHFFFAOYSA-N 403.442 2.535 0 50 HFAA C[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)C[C@@H](CO)O1 787471471 MMKZMXIFCATMLD-WBVHZDCISA-N 420.465 2.895 0 50 HFAA O=C(Cc1cccnc1Br)Nc1cccc(OCCn2cncn2)c1 791331275 SRJBGVSTQMDETQ-UHFFFAOYSA-N 402.252 2.696 0 50 HFAA Cn1cccc1-c1cc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n[nH]1 952976077 YPTCRRBUEYIXEA-UHFFFAOYSA-N 417.513 2.852 0 50 HFAA CCc1ccc(CN2C[C@H]3CN(S(=O)(=O)CC4CCCC4)C[C@@]3(CO)C2)s1 1772816512 OSMPHDYPLFQVFQ-FXAWDEMLSA-N 412.621 2.557 0 50 HFAA Cc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc5nc[nH]c5c4)C3)C2)c1 1778505958 AAICSZYFRIZFQX-DEOSSOPVSA-N 418.497 2.558 0 50 HFAA CCn1nc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc1C 1857714409 SUAZZPQQUXKGNT-QHCPKHFHSA-N 418.501 2.889 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(Cc3cccc(F)c3F)CC(=O)N2[C@H]1c1ccccc1 1857733360 HHNHFAWEOVJOOI-FIKGOQFSSA-N 400.425 2.912 0 50 HFAA O=C1CCCc2cc(S(=O)(=O)N3CCC(Nc4nccs4)CC3)ccc2N1 1875263420 RZAIGKXAJUGCHD-UHFFFAOYSA-N 406.533 2.683 0 50 HFAA COCCN1C(=O)[C@]2(CCN(C(=O)c3cnc4c(c3)CCCC4)C2)c2ccccc21 2100555240 NLPYOROZDHFDDW-DEOSSOPVSA-N 405.498 2.737 0 50 HFAA NCc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 2325822090 CMSPWOUYUOEWRI-UHFFFAOYSA-N 417.512 2.643 0 50 HFAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N[C@@](C)(C(=O)O)c3ccc(F)cc3)n2)c1 2325877632 WCNWWZCRLXLGBB-HXUWFJFHSA-N 401.369 2.894 0 50 HFAA COCCn1cncc1CN1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 2356144256 PFIFCKMBRZYPIO-UHFFFAOYSA-N 401.507 2.611 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C)cc2)cc1 641928 FIAAGQKYVFEMGC-PMACEKPBSA-N 422.572 2.871 0 50 HFAA CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)O 3876650 YCZOCNPWGXMCKK-KRWDZBQOSA-N 410.515 2.980 0 50 HFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1 6743908 PCDQGZQYZZZKAK-HNNXBMFYSA-N 408.549 2.986 0 50 HFAA O=C(NCCOc1ccccc1F)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11663036 AOUGCPGQLFNKCH-QGZVFWFLSA-N 402.441 2.941 0 50 HFAA COc1ccccc1CCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1C[C@H](C)O[C@H](C)C1 12164556 IRTZRJFYRCGTQB-WSTZPKSXSA-N 414.546 2.892 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(CCc3cccc(OC)c3)o2)C1 12194256 UWUCJGNHSOXIMD-QGZVFWFLSA-N 415.490 2.598 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCCCC2)c(C)c1C 12205637 OQARWXCTXHNJAU-HXUWFJFHSA-N 401.551 2.794 0 50 HFAA O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12209046 CSMLDTLSFLITMS-QGZVFWFLSA-N 405.489 2.694 0 50 HFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc(OC)c3OC)C2)nn1 12326667 ILESZBKBZHIJQW-QGZVFWFLSA-N 401.511 2.614 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)CCc1ccccn1)C2 14539611 BVZJSYBSAZFZRT-SFHVURJKSA-N 413.591 2.519 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)C1CCC1 19839349 PZWLLCUBBGSNBD-UHFFFAOYSA-N 405.905 2.588 0 50 HFAA COc1ccc(CNCCN2CCCC2)c(OC[C@H](O)CN2CCCCCCC2)c1 23359213 HJYXTPJECDFIGR-JOCHJYFZSA-N 419.610 2.886 0 50 HFAA CCOC(=O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCC(C)C)CC1 55282379 FKSICKKPFBHRFI-UHFFFAOYSA-N 413.584 2.886 0 50 HFAA Cc1cnccc1CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55310649 TWYRABULLFRPCM-UHFFFAOYSA-N 409.465 2.769 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 67603744 KPGQFPKGUBTBOL-UHFFFAOYSA-N 412.881 2.595 0 50 HFAA C[C@H](c1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c1)N(C)C 71752215 LRJODEMHKCJZRS-OAHLLOKOSA-N 418.515 2.695 0 50 HFAA CCN(CCOC)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91602840 AXPBCGOOVYSESQ-QFIPXVFZSA-N 413.606 2.825 0 50 HFAA O=C(Cc1cc(Cl)ccc1Cl)N1CCC(S(=O)(=O)N2CCCC2)CC1 225742340 GXJZQASIJUPSKH-UHFFFAOYSA-N 405.347 2.953 0 50 HFAA O=C(CCCCCn1c(O)nc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238881847 BKXCHBOCNVIEOU-WKILWMFISA-N 415.490 2.670 0 50 HFAA CSCC[C@H](C(=O)NCCc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 239352511 ACMUMMIQRWQBGP-JFIYKMOQSA-N 406.523 2.781 0 50 HFAA O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 247755504 ZEZHQHHWPOITSN-BZUAXINKSA-N 409.511 2.954 0 50 HFAA COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@@H](CO)C(C)C)cc2)c1 253420416 VFEPSWLRKAVHJP-KRWDZBQOSA-N 400.475 2.707 0 50 HFAA CCn1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(=O)c2ccc(C)nc21 670452036 VROMMJMWPFLURJ-CYBMUJFWSA-N 404.430 2.661 0 50 HFAA NC(=O)N1CCC[C@@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 731784801 HBYBDLOUZYIXMR-LJQANCHMSA-N 421.541 2.952 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](OC3CCC3)C2)c1)C(F)(F)F 1475442868 FANMLWXTWQMYCP-CQSZACIVSA-N 406.426 2.910 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3cccc(-c4ccc(C)o4)c3)C[C@]2(CO)C1 1772805711 REYJYYWYOQHMPA-SIKLNZKXSA-N 400.544 2.871 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCc4nccs4)CC3=O)sc2c1 1857717528 XJYXMPZKBWOBMO-GFCCVEGCSA-N 416.528 2.863 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc1OC 2356144091 JDCDOMHIFAGRRM-QHCPKHFHSA-N 410.518 2.609 0 50 HFAA CC(C)c1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 827474 XGNFHVAKCIDKLI-UHFFFAOYSA-N 402.516 2.864 0 50 HFAA O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NC1CC1 877208 TVHPCRKQHQZKPB-UHFFFAOYSA-N 409.305 2.923 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2875728 JWLFUIUUPLKJNG-UHFFFAOYSA-N 424.906 2.917 0 50 HFAA C[C@H](NC(=S)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 4182721 UZWMEPAAOKHWGP-OSONQDNFSA-N 421.632 2.946 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)Cn4cccn4)CC3)c2)s1 12112242 VPQDCHDKOBXMRV-UHFFFAOYSA-N 410.503 2.587 0 50 HFAA CC(C)OCCNC(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12430886 GILHQTHENNWDDI-UHFFFAOYSA-N 411.502 2.920 0 50 HFAA O=C1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCc1ccccc1 12434325 PUPFCJDPQRLUER-QFIPXVFZSA-N 408.546 2.993 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCC[C@H](O)C1 12458872 SPAMMVRXFOPMDZ-IBGZPJMESA-N 406.530 2.832 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccccc2F)c1=O 14879977 GZIOPTZWERGZAQ-UHFFFAOYSA-N 407.445 2.520 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1OC 19773737 SFSXXQBABAJQSJ-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA Cc1cc(CNC(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)on1 19792286 UFKMAFPJCYVGIZ-UHFFFAOYSA-N 412.534 2.850 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)c3ccsc3)C2)CC1 55212023 UYRLLCHXQKUJMY-QGZVFWFLSA-N 421.588 2.732 0 50 HFAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCc3ccccc3)C2=O)c1 67694907 YNNYFQGXVSGKFK-QHCPKHFHSA-N 400.494 2.862 0 50 HFAA Cc1ncn(-c2cc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ncn2)c1C 72442113 RBBPVYAZNCZEQI-UHFFFAOYSA-N 410.909 2.824 0 50 HFAA Cc1nc2cc(OCc3nc(C(=O)N4CCC(=O)NC[C@H]4C)co3)ccc2s1 91326128 PUUOJTAZVPSGPZ-LLVKDONJSA-N 400.460 2.522 0 50 HFAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101316904 UACHUGDAXCCLKD-MWDDYTRKSA-N 405.292 2.981 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C3=C2C(=O)OC3)cc1 169757957 ZVQUTKQIRGPLIG-IBGZPJMESA-N 413.380 2.789 0 50 HFAA CC(=O)c1cccc(CN2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)c1 253387268 ZUAYFHKYNQYLRI-ZEQRLZLVSA-N 411.521 2.786 0 50 HFAA Cc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263616152 HJRNFHXOADPZDJ-NRFANRHFSA-N 421.476 2.960 0 50 HFAA O=C(/C=C/c1ccccc1)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 334158415 MTGCKWMIAAKLDM-YMWACUIWSA-N 407.495 2.984 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 409414696 USAOLYDGVDLKLW-CQSZACIVSA-N 417.347 2.661 0 50 HFAA Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)c(C)c1C 952975426 DTFKDFQVMULRLO-UHFFFAOYSA-N 413.518 2.544 0 50 HFAA NC(=O)COc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)c1 1506415234 WWMPTPGJYGODRH-YZUZCNPQSA-N 408.498 2.843 0 50 HFAA O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857673096 NOKFIUXSYVYNFN-INIZCTEOSA-N 410.474 2.937 0 50 HFAA O=C(CCn1cccn1)N[C@@H]1CCCC12CCN(C(=O)CCC(F)(F)F)CC2 1857677622 KGVLLHGWDKPBNW-OAHLLOKOSA-N 400.445 2.893 0 50 HFAA Cc1cn2cccc(C(=O)N3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)c2n1 1857727986 IQDGOKWEMMKGPJ-YYDVJCTNSA-N 402.454 2.557 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(Cc3ccc(-n4ccnc4)cc3)C1)CC2 1857733700 VBYJWPOJVSINMD-QHCPKHFHSA-N 404.518 2.914 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1cc(O)ncn1 1857734495 KMHVPPWUCOJMFO-GFCCVEGCSA-N 401.854 2.900 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 1875253026 MYQHTFCOLVGTLR-FQEVSTJZSA-N 401.470 2.759 0 50 HFAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 1068015 SAKYTNRXGXRXBW-OAQYLSRUSA-N 421.453 2.649 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2870476 NMXWXUCQYDPRJX-ZDUSSCGKSA-N 406.435 2.594 0 50 HFAA Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CS(=O)(=O)C3)cc1 3008567 QSTCFSWTRVTQCT-UHFFFAOYSA-N 411.439 2.590 0 50 HFAA COCCSc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 9341672 GHFFVMRMTYGAKX-UHFFFAOYSA-N 424.523 2.907 0 50 HFAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)n2)o1 12278997 DUDAIWODOQPWTO-MRXNPFEDSA-N 406.490 2.884 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 12712410 JUUORQLNUKOIPC-NRFANRHFSA-N 419.547 2.614 0 50 HFAA O=C(O)CCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 13400858 XEWVHWAPHCSDDM-SDNWHVSQSA-N 421.247 2.794 0 50 HFAA C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc(O)cc1)CC2)c1ccccc1 14752118 WMIVRUDLOHXLOR-QGZVFWFLSA-N 420.513 2.630 0 50 HFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cnsn1 15073172 OVJXWDOQPQOKQF-INIZCTEOSA-N 400.548 2.506 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1 20914705 OYBFPPRSHCRIIY-OAQYLSRUSA-N 419.569 2.997 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(CC(C)C)s3)n2)c(F)c1 49550879 HNJLPLTWKBWTBO-UHFFFAOYSA-N 417.466 2.747 0 50 HFAA O=C(NC[C@H]1CCOC1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82097110 YYSZIMQGMPJISN-JOCHJYFZSA-N 413.606 2.948 0 50 HFAA NCC1CCN(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 82106921 VWZISELRCJTGMF-QHCPKHFHSA-N 412.622 2.603 0 50 HFAA COCCN1CCC(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 95517272 VDEZJYWTIBTYAM-QHCPKHFHSA-N 402.535 2.945 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)Cc2cnccn2)C1)NCc1ccc(F)c(F)c1 95521688 YOJCIGLRFWEOPC-OAHLLOKOSA-N 402.445 2.633 0 50 HFAA Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)OC[C@@H]1CCCN1C(N)=O 170632453 IZKBPLRIUATBOR-HNNXBMFYSA-N 421.295 2.952 0 50 HFAA Cc1cc(=O)n(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccccc12 217796378 SLWQCKXHHIBMGQ-IBGZPJMESA-N 403.438 2.603 0 50 HFAA biogenic CC(C)[C@@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C 223233845 RAWONVRBIUXRCN-LJQANCHMSA-N 419.485 2.858 0 50 HFAA Cc1cncn1C1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 225400154 DHGFZHXIBKXDCP-ZCNNSNEGSA-N 412.534 2.721 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239425891 VKYHQOHLAXSXHV-UCVXFEHQSA-N 422.481 2.634 0 50 HFAA Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc(C)c1Br 239432973 XAMLEPRSSQACAL-BEYOIGNWSA-N 422.275 2.745 0 50 HFAA C[C@@H]1Oc2ccccc2N(CCC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC(C)(C)C)C3)C1=O 253417316 HNTKIUBYPKZRGG-NXOAAHMSSA-N 414.502 2.912 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 409414666 NYCIXQRVEYXLSB-GEQKSPFYSA-N 413.518 2.779 0 50 HFAA C[C@@H](C(=O)N(C)CC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)n1cccn1 448278988 QNSGBVGXOMPFIS-ZDUSSCGKSA-N 420.395 2.746 0 50 HFAA COc1ccccc1C1(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 489487739 OWMNVCBRFDQEJU-UHFFFAOYSA-N 400.500 2.535 0 50 HFAA COCCN1CC[C@H](CN(C)S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)C1 952973867 PTJRFBBVGCGCRF-QGZVFWFLSA-N 407.536 2.547 0 50 HFAA O=C(O)c1cccc(S(=O)(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c1 1506403768 VPESILSQYRXQLD-FQEVSTJZSA-N 403.500 2.779 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2cc(F)ccc2C)cc1OC 1529118874 PJFSVLHOVHEJSL-IFMALSPDSA-N 403.450 2.655 0 50 HFAA O=C(O)c1ccccc1CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C[C@H]2CCOC2)CCO1 1857673197 OYTLPLIUTICYBA-DBBLALLESA-N 400.519 2.619 0 50 HFAA C[C@]1(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)Cc2ccccc2C(=O)O1 1875257098 XEQRWMNHJNNNSG-SQJMNOBHSA-N 418.493 2.734 0 50 HFAA C=CC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)C1 1875387851 ATBKSWFMKPRNJC-YSVLISHTSA-N 421.423 2.890 0 50 HFAA C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(CCO)C(=O)O 2325851530 BHVOLRKVHMKTNJ-ADLMAVQZSA-N 412.895 2.959 0 50 HFAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 816875 WHBJWMKVMPCYMZ-CYBMUJFWSA-N 408.476 2.506 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1F 833180 GDYCOKWSOUGUFA-MUMAZLPKSA-N 412.442 2.530 0 50 HFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 4189416 YLJVLDDAGCWCEB-NNTXTVRGSA-N 411.252 2.911 0 50 HFAA CC1=NN(C(=O)[C@H](C)Cn2nc(C)c(Br)c2C)[C@](O)(C(F)(F)F)C1 6526394 ODAUZDJEVGVPGZ-FUXBKTLASA-N 411.222 2.758 0 50 HFAA COC(=O)CCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 11879923 QLAFBHGQVSOGKD-HXUWFJFHSA-N 420.525 2.999 0 50 HFAA CN(Cc1cnn(C)c1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O 11880941 MPEWTDKKMKGORM-UHFFFAOYSA-N 411.525 2.992 0 50 HFAA Cc1cccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)n1 11912409 QNJJQKUCFNMVSR-QHCPKHFHSA-N 408.546 2.746 0 50 HFAA COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C/C=C/c1ccco1)CC2 12202518 XWRBVUWNHDUZCN-GQCTYLIASA-N 413.518 2.797 0 50 HFAA O=C(Nc1ccnn1C1CCN(Cc2ccc3nonc3c2)CC1)c1cccnc1 12454315 VHZCMXWJGHWVNX-UHFFFAOYSA-N 403.446 2.904 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4cnn(C)c4C)C3)C2=O)c1 12714025 MUSBZDLDXRUCGU-QFIPXVFZSA-N 400.498 2.891 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccnc1)CC2 14531031 QKLRPWIJWCWNNJ-UHFFFAOYSA-N 407.518 2.932 0 50 HFAA COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCOCC1 16552289 WLJORIPEGUTHJU-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CN1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)CC1 20536774 XUKINPGAHZUJSA-FQEVSTJZSA-N 400.592 2.773 0 50 HFAA Cc1ccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)cnn2-c2ccccc2)cc1 22022936 ZCHBKJUUECFNGG-UHFFFAOYSA-N 403.486 2.821 0 50 HFAA CC[C@@H](C)Oc1c(Cl)cc(CN2CCN(C(=O)c3nc[nH]n3)CC2)cc1OC 55575727 FPXHYYJXWYRVDX-CYBMUJFWSA-N 407.902 2.602 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 82137339 MFSDTUGOBSDSBX-NRFANRHFSA-N 412.578 2.981 0 50 HFAA COc1cc(C(=O)NCCc2ccc(C)o2)ccc1OC1CCN(C(C)=O)CC1 95510560 DUCYXOCDVQLIND-UHFFFAOYSA-N 400.475 2.959 0 50 HFAA COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)c(OC)c1 170618233 SALSDLUPGSQPOB-IBGZPJMESA-N 415.515 2.775 0 50 HFAA COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(OC)c(OC)c4)ccn3n2)cc1 263618927 WERZKJBKFDNYCS-FQEVSTJZSA-N 421.453 2.922 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)Cn4cncn4)csc3C2)nc1 426538739 ZLPUQXBADARMPA-HNNXBMFYSA-N 410.547 2.674 0 50 HFAA O=C(NCc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1)c1ccccc1 428239360 GLBXWVBNOVVNNR-UHFFFAOYSA-N 422.436 2.699 0 50 HFAA Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 498035897 VVZZHFMLRHJXTO-RXVVDRJESA-N 409.511 2.984 0 50 HFAA in-vitro Cc1ccc(N(CC(=O)N[C@@H](Cn2cccn2)c2ccccc2)S(C)(=O)=O)cc1 670448704 ZPWAAKVYKRCXJZ-FQEVSTJZSA-N 412.515 2.515 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1 1506420510 GYLFWHSDQQFYBO-UHFFFAOYSA-N 416.971 2.780 0 50 HFAA COc1cc(CN)ccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC 1857684573 SUKUVYWRIPXHRB-IAGOWNOFSA-N 400.475 2.988 0 50 HFAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2ccc(O)cc2C1 2356159257 SIQNABQPWUJSSW-PWAGRJGVSA-N 403.482 2.609 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 641155 MMZABTLXRTYXIT-UHFFFAOYSA-N 404.300 2.768 0 50 HFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 1051046 OEOALEHMLSGSHD-SFHVURJKSA-N 402.516 2.721 0 50 HFAA COc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc1OC 4611416 FETGRKAVUQFQII-UHFFFAOYSA-N 406.486 2.811 0 50 HFAA CSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 8869005 QEJAFVSHYHLYGC-JTQLQIEISA-N 417.965 2.743 0 50 HFAA O=C(NCC1CCN(C(=O)C2CC2)CC1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12197575 PSLMMZSVYXLHBS-HXUWFJFHSA-N 403.567 2.570 0 50 HFAA CCOC[C@H](O)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12315509 GOSVSSAQCNBPKM-GOSISDBHSA-N 420.550 2.608 0 50 HFAA COc1cc(C(=O)N[C@@H](C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1 12431670 BJVKSHXJUPJAMX-INIZCTEOSA-N 411.502 2.841 0 50 HFAA CCc1ccc(CNC(=O)COc2ccc(N(C)Cc3ccc(F)cc3)nn2)nc1 14996395 SOYPRLBMFDXCGO-UHFFFAOYSA-N 409.465 2.905 0 50 HFAA C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 20202034 WHXRCAVIDMNPBX-CYBMUJFWSA-N 407.440 2.942 0 50 HFAA CC(C)OCCCNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55576394 QUYUESYBZYOUMS-UHFFFAOYSA-N 404.486 2.681 0 50 HFAA Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 64061475 UAEYWMLIUJQKGQ-QUCCMNQESA-N 410.909 2.767 0 50 HFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 65363449 PUFKVZRTULLWTC-UHFFFAOYSA-N 400.552 2.811 0 50 HFAA O=C(NCCNc1cccnc1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91503849 MWUDLLBZGKXVFC-QGZVFWFLSA-N 400.910 2.744 0 50 HFAA CC(C)[C@@H](C)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95528569 LQBYBJAJCWDTKI-CYBMUJFWSA-N 402.944 2.917 0 50 HFAA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(C)cc2)cc1 245326900 NCPXALZWXBXALK-IVAOSVALSA-N 404.466 2.839 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nccs3)CC2)cc1 253388013 NFIXLWQSZWDHPF-HDJSIYSDSA-N 409.533 2.875 0 50 HFAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)NCc1ccc3nsnc3c1)C2 299777929 LMCHJUFPRBQYEK-AWEZNQCLSA-N 412.515 2.989 0 50 HFAA CN(C)C[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 952970528 DWALJRGVFVYTPW-NRFANRHFSA-N 404.532 2.804 0 50 HFAA CCOc1ccccc1N1CCN(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)CC1 1506410020 CNNYNELIDHZWKF-KRWDZBQOSA-N 417.535 2.549 0 50 HFAA Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1875340054 JIVLVVGDUNBAAL-MHTWAQMVSA-N 408.550 2.962 0 50 HFAA O=C(O)[C@@H](NCc1cnc(-c2cncnc2)nc1)c1ccccc1Br 2325851828 LDQITXXFJUOGBS-HNNXBMFYSA-N 400.236 2.612 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 786668 BEOOBGHBUGFGAB-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA CCOC(=O)COc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC 831441 CZUWYJGSJAXRTR-HXUWFJFHSA-N 412.442 2.973 0 50 HFAA Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 2146205 UUINGWKSCRTAIU-UHFFFAOYSA-N 412.500 2.911 0 50 HFAA O=C(O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 4408841 XIMUOZSLXSQVKT-UHFFFAOYSA-N 417.224 2.571 0 50 HFAA CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cn[nH]c2)C3)cs1 11966102 UAZHDMWYWXIEQB-UHFFFAOYSA-N 423.498 2.506 0 50 HFAA CN(C)C1(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCCCC1 12753730 WRLHYQZKNXTHRN-UHFFFAOYSA-N 401.463 2.977 0 50 HFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC(C(=O)N2CCCCC2)CC1 14950079 RXLRPGDIHYRNKW-UHFFFAOYSA-N 415.925 2.845 0 50 HFAA Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccccc4O)nc3c12 20591451 UXUQRNOFUFBKDC-UHFFFAOYSA-N 406.490 2.791 0 50 HFAA Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1ccc(-n2cccn2)nn1 67630078 NHPKBZXFZMVVNU-UHFFFAOYSA-N 405.487 2.936 0 50 HFAA COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 67677308 XJTIPZTZAIWORJ-UHFFFAOYSA-N 420.535 2.855 0 50 HFAA O=C(NC[C@@H]1CCOC1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82097109 YYSZIMQGMPJISN-QFIPXVFZSA-N 413.606 2.948 0 50 HFAA COc1ccc(-c2noc(CN3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC 170591266 ROWKYNUBEUMJSZ-IAGOWNOFSA-N 413.478 2.575 0 50 HFAA O=C(c1cnn(-c2ccccc2Br)c1-n1cccc1)N1CCOCC1 170622269 QSHDVVKARXTCEU-UHFFFAOYSA-N 401.264 2.898 0 50 HFAA Cc1cccc([C@H](CC(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)NC(N)=O)c1 914643899 XNXZRXIWCBXLCD-XNKWGQMISA-N 415.534 2.967 0 50 HFAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2ccc3cccc(F)c3n2)CC1 952987419 DRZMUVDAMSBODN-UHFFFAOYSA-N 406.527 2.612 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccccc2OC(F)F)cc1OC 1529173353 VJDQZOWKNRNIKS-RTBURBONSA-N 423.412 2.880 0 50 HFAA CO[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ccncc1 1875246699 FPCLYTMCLHHWGE-QXAKKESOSA-N 401.894 2.965 0 50 HFAA NC(=O)CSCC(=O)N[C@@H](CNC(=O)C1CC2(CCCCC2)C1)c1ccccc1 1875348090 WNZJWQJXRYQOST-SFHVURJKSA-N 417.575 2.539 0 50 HFAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(SC)cc3)C2)CCC1=O 2325864492 QCRNWIWWWJLNDT-MSOLQXFVSA-N 417.575 2.778 0 50 HFAA Cc1ncc(CO)c(CS[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1O 2325879866 KPLPXHDCKYDUTL-APWZRJJASA-N 415.559 2.600 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(CC(=O)Nc3nnc(COC)s3)C2)[C@@H]2CCCCN12 2356154252 OGXFALULQUKHTP-YVSFHVDLSA-N 407.584 2.598 0 50 HFAA CCOc1c(Br)cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1OC 684083 KJSGRJVXIPZQEI-CQSZACIVSA-N 413.268 3.000 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 692858 VDXLCMQHRBFYQI-UHFFFAOYSA-N 415.405 2.537 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(C)=O)C3)CCC(=O)N2)c(F)c1 11973943 RBCOPJIZSDLEIA-VGOFRKELSA-N 404.482 2.633 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 12073611 YICZTRSJMPZLMH-KRWDZBQOSA-N 400.548 2.778 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1F)C2 14743570 ZCKCNRCEJPTPSL-OAHLLOKOSA-N 406.502 2.534 0 50 HFAA COc1cc(CNCc2ccc(C)s2)ccc1OC[C@@H](O)CN1CCC(O)CC1 14949339 ASDYEDOKKBDRIM-IBGZPJMESA-N 420.575 2.551 0 50 HFAA COc1ccc(CN2CCN(Cc3cccc4nonc34)C[C@@H]2CCO)c(C)c1C 20536519 FJSDXNVQZJGYCP-FQEVSTJZSA-N 410.518 2.917 0 50 HFAA COC(=O)[C@@H](NC(=O)c1coc(CN2CCc3ccccc3C2)n1)c1ccccc1 20601273 OCKLSGJQRKBUBS-NRFANRHFSA-N 405.454 2.877 0 50 HFAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 33011427 LQUDQZMDEJYOBM-HNNXBMFYSA-N 403.446 2.880 0 50 HFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)c1 54146964 BYUYBVJBFRJQLU-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA COC[C@H]1CCN(C(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)C1 67921633 SPZYGYFPHYQIGR-IBGZPJMESA-N 415.578 2.733 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)c(C)c1 72117645 SVLZPWYCDDRLMX-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA COCC(C)(C)NC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91382193 DSIDNXFBGJUNJJ-OAQYLSRUSA-N 413.606 2.871 0 50 HFAA O=C(c1ccncc1)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777620 JBNJGJFKRSAWGV-QGZVFWFLSA-N 401.430 2.867 0 50 HFAA CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1C[C@H](C)C(=O)C[C@H]1C 239439220 ZPHDADIMGDXESP-QWHCGFSZSA-N 401.463 2.591 0 50 HFAA CC[C@](O)(C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1 241720935 QTLOXOWDQFFWPF-SJORKVTESA-N 419.831 2.628 0 50 HFAA COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc5c(c4)OCO5)ccn3n2)cc1 263616679 KAHFVNJBHNPRLO-IBGZPJMESA-N 405.410 2.634 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 483586405 WOWDHIMXPHDUDW-VQIMIIECSA-N 419.485 2.563 0 50 HFAA CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[C@H](O)c1ccccc1 749711120 MMGPMAXLYLNNGH-NVXWUHKLSA-N 403.410 2.571 0 50 HFAA CN(C)c1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 952869299 OQMABWSENPABJO-IBGZPJMESA-N 418.900 2.874 0 50 HFAA COC(=O)c1sc(-c2ccccc2)cc1S(=O)(=O)N1CCC(CCN)CC1 1875334849 HZDIWMSTHFVJEU-UHFFFAOYSA-N 408.545 2.951 0 50 HFAA CC(=O)Nc1sc(NC(=O)c2cccc(-n3cnnc3)n2)nc1-c1ccccc1 1940197952 DHRILBBPMFENJF-UHFFFAOYSA-N 405.443 2.997 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O 2325819527 HRAFGDCGZRUSSI-ZFWWWQNUSA-N 406.891 2.755 0 50 HFAA CC(C)c1nc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cn1C 2325842205 RHWZRRCWWQWEKJ-UHFFFAOYSA-N 403.512 2.618 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1 670860 NHKUNSBRECVWET-UHFFFAOYSA-N 418.500 2.695 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1051905 JDUDJXLUSDQOKC-AWEZNQCLSA-N 420.462 2.636 0 50 HFAA COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 1156965 PCIHKZIRPKQYRH-UHFFFAOYSA-N 407.514 2.896 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)c(C)c1 4413974 RTHPTALQDVPRSE-GOSISDBHSA-N 401.532 2.724 0 50 HFAA O=C(CSc1ncccn1)NC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 11909192 MXDIYKKWFWHHGB-IBGZPJMESA-N 412.559 2.899 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 12049230 UOTGDMBOTMGXQH-UHFFFAOYSA-N 402.520 2.536 0 50 HFAA CC(C)c1cc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)n[nH]1 12433755 BQVNAWQQJPVUFT-UHFFFAOYSA-N 424.593 2.921 0 50 HFAA Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NS(C)(=O)=O 13683100 PAXJWWACVOENFS-RMKNXTFCSA-N 413.543 2.838 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c(Cl)cc1O 20256847 IQICKZHZXSSQJO-SFHVURJKSA-N 405.926 2.826 0 50 HFAA C[C@@H]1CCCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1 67603600 QLFJXDWVJRDASF-CQSZACIVSA-N 401.960 2.588 0 50 HFAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1F 169752462 BDCQPLBXVLAVBU-UHFFFAOYSA-N 424.407 2.881 0 50 HFAA COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 241776929 RTOPPPSBSNGOMZ-KURKYZTESA-N 404.532 2.608 0 50 HFAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328602918 DCULFEIYDLSPKP-QGZVFWFLSA-N 405.458 2.586 0 50 HFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CO)C1 1772810443 GRJOUBXXOLKFDN-VLIAUNLRSA-N 416.934 2.844 0 50 HFAA Cc1ccc(-c2nccn2C[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc1 1857713288 SSADOOFARTZYLJ-OAQYLSRUSA-N 423.561 2.603 0 50 HFAA CCCC(=O)N1CCC[C@H]1c1nc(-c2cccc(N(C)C)n2)nn1CC(C)(C)CO 1875340771 QUANKXIZHJCWSQ-KRWDZBQOSA-N 414.554 2.888 0 50 HFAA CCOC(=O)c1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCCCC2 6458431 SWXVVPBJEHMIIJ-UHFFFAOYSA-N 422.532 2.590 0 50 HFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1CCC(=O)N1 12111806 JJJTXCJORSSVGQ-SFHVURJKSA-N 411.468 2.697 0 50 HFAA CN1CCC(N2CCC(Oc3cccc(C(=O)NCCc4ccccn4)c3)CC2)CC1 12301964 NEXYIEKRADHWLG-UHFFFAOYSA-N 422.573 2.992 0 50 HFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 12381054 NSYGYLMIZPEDOH-XIBZQWRXSA-N 416.249 2.761 0 50 HFAA CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 20451142 HFPCUYJHLYKZLP-MRXNPFEDSA-N 409.933 2.814 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)Cc2cnccn2)C1)NCc1ccc(F)c(F)c1 95521687 YOJCIGLRFWEOPC-HNNXBMFYSA-N 402.445 2.633 0 50 HFAA Cc1cc(O)c(-c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)c(=O)o1 100242449 JLNMYQLZZCOOIU-UHFFFAOYSA-N 402.410 2.515 0 50 HFAA O=C(N[C@H]1C[C@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 170621654 WBBMUUOWMOLDGE-HOCLYGCPSA-N 402.296 2.627 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 195341725 GBMHRPRDDQCAOV-UUBMZHIOSA-N 400.862 2.730 0 50 HFAA COc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c(OC)c1 225517108 VJUJSARBHCXGSN-LJQANCHMSA-N 417.487 2.773 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(OC)ccc4OC)c3CO2)cc1 263615767 FDTKDRZTSURVDY-LJQANCHMSA-N 410.430 2.828 0 50 HFAA Cc1ccc(OCCN(C)C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C)C2=O)cc1 299769637 QUXKHHCWZIXNRF-HSZRJFAPSA-N 412.461 2.688 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccn4C)C3)C2=O)c1OC 426379604 CSSKVDHBIYKYOH-HSZRJFAPSA-N 411.502 2.697 0 50 HFAA O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H](Oc1ccccc1)c1ccccc1 440870289 BSICFGMWVBLMSE-OAQYLSRUSA-N 414.527 2.880 0 50 HFAA CCOc1ccc(CC(=O)NCC2CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1 952966126 FDCBHDCXEUZKOR-MXVIHJGJSA-N 402.535 2.534 0 50 HFAA COc1ccc(-c2nc(CCNC(=O)c3ccc(N4CCNC4=O)cc3)co2)cc1 1442819138 USKHOWBISBMPJI-UHFFFAOYSA-N 406.442 2.852 0 50 HFAA CCCCSCc1cc(C(=O)N2C[C@H]3CN(C(=O)C4CC4)C[C@]3(CO)C2)oc1C 1772704491 UDSUGJSKRNUIFB-XMSQKQJNSA-N 420.575 2.924 0 50 HFAA CC(C)c1nc(CN2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@]3(CO)C2)co1 1772807175 QGJLGJJNQCOKLX-FZKQIMNGSA-N 411.428 2.538 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cccc(C)c2)C1 1857696334 WLXAPQCNNAEDCZ-GIFXNVAJSA-N 413.606 2.867 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875248778 NZCKHVBRZOHWAS-FPOVZHCZSA-N 403.862 2.615 0 50 HFAA Cc1nocc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1875317245 RZCPJCNXPPSDRI-UHFFFAOYSA-N 407.473 2.609 0 50 HFAA CN1CC2(CCN(c3noc(-c4ccc(Cl)cc4)c3C(=O)O)CC2)OCC1=O 2356155782 MPRMIPLCHMQLEA-UHFFFAOYSA-N 405.838 2.521 0 50 HFAA CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1 1132232 ZGJXNPYODSZXCU-UHFFFAOYSA-N 423.542 2.945 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 1149349 QACISLAWZCCHGD-UHFFFAOYSA-N 404.488 2.803 0 50 HFAA CC[C@H](O)C1CCN(Cc2cnc(S(=O)(=O)CC)n2CCc2ccccc2)CC1 11663257 KEHZLJLSEVYIMQ-NRFANRHFSA-N 419.591 2.902 0 50 HFAA CC(C)CCn1cc(C(=O)NCCc2cccnc2)c(=O)c(C(=O)NC(C)(C)C)c1 11791145 OSTLPVLSKWEGQL-UHFFFAOYSA-N 412.534 2.790 0 50 HFAA COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN([C@@H]4CCSC4)CC3)C2=O)cc1 11842016 XNXYSORMOBPIHU-GCJKJVERSA-N 417.575 2.766 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1 12307230 PMDGMXVXLUPTJH-MRXNPFEDSA-N 406.552 2.732 0 50 HFAA CCN(Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 12449523 AXCOBDVEJHAGPM-GOSISDBHSA-N 417.531 2.543 0 50 HFAA COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nc(O)cc2=O)cc1 13635536 VUJCWMPWKZEKFM-UHFFFAOYSA-N 413.455 2.686 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14746344 RBCWGAFAHOCPDE-GOSISDBHSA-N 402.564 2.842 0 50 HFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C(C)C)CC3)c2C)n1 14960358 MVDBOLCNERELPW-UHFFFAOYSA-N 420.517 2.813 0 50 HFAA CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCC(N)=O 16651612 UIIIMQFYFTXLTD-INIZCTEOSA-N 423.307 2.535 0 50 HFAA COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 19553128 PZGHQEJFLVKCGI-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 20999654 HFFVJILCCAODNA-HXUWFJFHSA-N 424.545 2.783 0 50 HFAA COC(=O)[C@@H](CCSC)NCc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 39363084 IMOZPYRRFGKEPK-MRXNPFEDSA-N 418.563 2.653 0 50 HFAA COc1cccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 39537945 XSUJAURLEZYGPU-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA O=S(=O)(NC[C@H]1CCCN(Cc2nccs2)C1)c1cccc2cccnc12 55183092 WVPCCAKIWKWNMR-OAHLLOKOSA-N 402.545 2.882 0 50 HFAA CCOCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 95517015 CJZHNKYNWHWTFT-HSZRJFAPSA-N 400.563 2.910 0 50 HFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(I)cc1 239433761 YKMYHUNAHTVSPY-PKCACUDHSA-N 409.223 2.999 0 50 HFAA C[C@@H]1[C@@H](N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)CCC[C@H]1C 248147898 IFIRXTQZNUEPRU-JYRKZWEQSA-N 411.546 2.644 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1 328603175 FIGJXURRZOIFRW-INIZCTEOSA-N 402.470 2.713 0 50 HFAA O=C(c1cc(F)c(O)c(F)c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328605678 OSDRTPPTUMSNJN-MPBGBICISA-N 413.384 2.704 0 50 HFAA COc1ccc(-c2ccc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)o2)cc1 952974757 WXOJKAFVPISECT-UHFFFAOYSA-N 418.457 2.664 0 50 HFAA Cc1ccc([C@@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C)cc1 952978875 FYSAIKAXWDLVIO-NRFANRHFSA-N 415.559 2.567 0 50 HFAA CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1 1294872036 UAPSNNPNORDOKX-IZAXUBKRSA-N 402.516 2.935 0 50 HFAA O=C(c1cnc2ccccn2c1=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506419044 XSMMZOZFOJDRRU-DCLXLUIPSA-N 403.482 2.987 0 50 HFAA CCc1ocnc1C(=O)N1CC[C@]2(CN(Cc3nc(C(C)C)cs3)CCO2)C1 1857683916 QYDKLVNGPQKOQC-FQEVSTJZSA-N 404.536 2.934 0 50 HFAA COC[C@@]1(C(=O)N[C@@]2(C(=O)O)CCc3cc(Br)ccc3C2)C=CCC1 2325829522 LOHXYGCXBMBUGP-MOPGFXCFSA-N 408.292 2.860 0 50 HFAA O=C(NCc1cc(-c2ccccn2)no1)c1cc2c(s1)C1(CCNCC1)OCC2 2356152492 MAFNPPXSQRQAOZ-UHFFFAOYSA-N 410.499 2.880 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc4c(nc3O)CCCC4)C1)CC2 2356154885 ODPBKMDTWZZHNH-QHCPKHFHSA-N 407.518 2.642 0 50 HFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1 754069 BIJYPYKUSFUYCL-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1Cl 2779038 YIENNLXJVARAKE-SECBINFHSA-N 405.911 2.820 0 50 HFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 11879462 SYPQQQDAPSJPLU-OAQYLSRUSA-N 409.578 2.721 0 50 HFAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(OC)c1 12130343 XUMAFELSWJKYJP-GOSISDBHSA-N 413.522 2.759 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 12434893 WNOPYPLSTLAOLE-UHFFFAOYSA-N 400.567 2.837 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)c1 12709080 SCYCVVXZCORNKV-HNNXBMFYSA-N 416.547 2.858 0 50 HFAA CCCCN(C)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O 14880682 WBUWFFMPFMZSQL-NRFANRHFSA-N 407.942 2.547 0 50 HFAA CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2C(=O)/C=C/c2cccs2)nn1 14991694 YGXSPFRHRHMUQD-FDMDGMSGSA-N 401.536 2.962 0 50 HFAA CCN(CC)CCNCc1ccc(OC[C@@H](O)CN2CCCCCC2)c(OC)c1 19228234 NFDWHKDHQQYDSI-NRFANRHFSA-N 407.599 2.742 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2ncccc2C)[C@H](c2cccc(F)c2F)N1C 39508426 AJHGKOZXBRBUOV-FNHZYXHNSA-N 403.429 2.519 0 50 HFAA Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NC[C@H]3CCCO3)c12 64044077 ZRMDXAKTTGCIQB-OAHLLOKOSA-N 403.552 2.757 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 65365098 NUUQBCUKJHAFBI-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA CNc1cc(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)ccn1 72428974 WTRCCEIWEYECDM-UHFFFAOYSA-N 410.474 2.629 0 50 HFAA COCCN(C)C(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72454080 WXLQQLJRTCFNMJ-UHFFFAOYSA-N 414.893 2.945 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 239203367 SFQRCMQHKXJWKY-KCWZSGSESA-N 424.456 2.660 0 50 HFAA COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(F)cc4)N4CCC[C@H]4[C@@H]3C2=O)cc1 245329217 YFJVTDOSLWIELC-MUGJNUQGSA-N 408.429 2.669 0 50 HFAA COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@H](CO)C(C)C)cc2)c1 253420417 VFEPSWLRKAVHJP-QGZVFWFLSA-N 400.475 2.707 0 50 HFAA CN(Cc1cc[nH]n1)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 408524918 ADWHSGKZFZQQRI-UHFFFAOYSA-N 410.499 2.823 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)Nc2cccc(-c3cnc[nH]3)c2)cc1 1506428013 WTOPTRSZXXXZQM-OAQYLSRUSA-N 403.486 2.714 0 50 HFAA Cc1cc(C)n2ncc(CN3CCCN(C(=O)c4ccc5nc[nH]c5c4)CC3)c2n1 1775976699 CKZACCYXOJGKHK-UHFFFAOYSA-N 403.490 2.571 0 50 HFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CN3CCOc4ccccc4C3)CC2)O1 1857708158 IILSLNAQYPRIIT-TZIWHRDSSA-N 416.562 2.828 0 50 HFAA O=C(CN1CCOC1=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857735761 SQMQGVVFWSHFRG-VQTJNVASSA-N 410.426 2.509 0 50 HFAA COCc1nnc(CCOC(=O)c2cccc(I)c2C)o1 1875355977 IYRSPGNSBUDGTJ-UHFFFAOYSA-N 402.188 2.529 0 50 HFAA Cc1nccn1-c1ccc(CNC(=O)N2CCn3c(CC(C)C)nnc3C2)cc1F 2325737968 BODUYXDYVDOQFS-UHFFFAOYSA-N 411.485 2.835 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc(-c4ccncc4)nc3)C1)CC2 2356146330 BGXZBGXTWXIWDT-HSZRJFAPSA-N 415.501 2.515 0 50 HFAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2ccccc2Cl)n(C)c1=O 625428 UEEGKRMSIXOTDD-UHFFFAOYSA-N 409.877 2.748 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(=O)c2cccs2)c(OC)c1 844438 SAEYZIWSKWETMU-MRXNPFEDSA-N 402.428 2.777 0 50 HFAA CCS(=O)(=O)N1CCC(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CC1 6742932 SFWIUQNRBUPKCF-UHFFFAOYSA-N 416.499 2.906 0 50 HFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11785643 QEIWYDUSKKRRLH-IRXDYDNUSA-N 407.348 2.918 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 12138772 RKNVQIXHPCBAEL-KRWDZBQOSA-N 401.463 2.861 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c(=O)[nH]1 12304250 CAMKDHDGVFECNW-IBGZPJMESA-N 424.545 2.720 0 50 HFAA C/C(=C\c1ccco1)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12465213 QYUQTOYMTWZBCW-HTXNQAPBSA-N 401.551 2.718 0 50 HFAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12480007 SYHUSDAOOGFGGS-SFHVURJKSA-N 421.588 2.661 0 50 HFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NC1CCN(Cc3ccccc3)CC1)C2 14539638 WBHOOBSGHBTAHU-NRFANRHFSA-N 421.589 2.768 0 50 HFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2 14543080 MHMFJODYLLPLSL-UHFFFAOYSA-N 408.502 2.909 0 50 HFAA Cn1cnnc1SCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 15078645 QUNVAZMDKMILNG-CQSZACIVSA-N 404.446 2.565 0 50 HFAA CCn1ncc(CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1C 17082738 PTRJMCKUSANAHZ-GFCCVEGCSA-N 403.552 2.567 0 50 HFAA Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCCN3CCOCC3)c12 19939594 RRLIHFSGTBZWTN-AWEZNQCLSA-N 403.552 2.616 0 50 HFAA CCOC(=O)C1CCN(C(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)CC1 20602212 HTZAEWPNHQUZHT-UHFFFAOYSA-N 412.412 2.869 0 50 HFAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4)n3)c(C)n2)CC1 36235719 YJBNFASSNFDGBK-UHFFFAOYSA-N 405.506 2.729 0 50 HFAA O=C(NCc1cc(=O)[nH]cn1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77486740 ZAHLCOLQYJQMRK-UHFFFAOYSA-N 421.501 2.732 0 50 HFAA CO[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1C 253369658 GKJGQSJURVZRSB-KBRIMQKVSA-N 409.324 2.937 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 474883618 ZSIKQCHOIUCVJS-CQSZACIVSA-N 420.347 2.669 0 50 HFAA CN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 782817003 YQXOXZLJKWJNFK-KRWDZBQOSA-N 416.499 2.712 0 50 HFAA COCCNC(=O)c1cccc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1C 1857675605 FNPSYQOXWGUGPI-UHFFFAOYSA-N 404.474 2.883 0 50 HFAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2cc(-c4ncccn4)sc23)nn1C 1857718215 DCLXNAGRGADRFY-UHFFFAOYSA-N 409.515 2.951 0 50 HFAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCCNc4cccnc4)CC3=O)sc2c1 1857718256 QMZZDIOWRZBJHZ-HNNXBMFYSA-N 409.515 2.971 0 50 HFAA O=C(NCc1cscc1C(F)(F)F)c1nc(N2CCOCC2)ncc1Cl 2325871301 HFFVNHFOTDGYKI-UHFFFAOYSA-N 406.817 2.977 0 50 HFAA NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 676597 BIYFICSUGXTHAV-UHFFFAOYSA-N 419.684 2.767 0 50 HFAA O=C(O)c1cc(N2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)c1 754766 XVGCZVVFYZUMKZ-UHFFFAOYSA-N 412.357 2.986 0 50 HFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 1075914 CPWVCZGAJHFHDG-UHFFFAOYSA-N 416.543 2.763 0 50 HFAA C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCC1 2853485 VUIQDYAPONCDPS-GFCCVEGCSA-N 403.342 2.955 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)N[C@@H](C)Cc3ccccn3)CCC(=O)N2)c(F)c1 12156646 NNZGOLDJTZDNDG-HJPURHCSSA-N 413.493 2.948 0 50 HFAA Cn1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 12159547 OVLXPXQTYLWFQR-LJQANCHMSA-N 402.520 2.853 0 50 HFAA COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCC(O)CC4)cc3)cc2c1 12389686 CKXWVPGVCOZJKD-UHFFFAOYSA-N 409.438 2.831 0 50 HFAA CCc1c(C(=O)NC[C@@H]2CCCN2CC)c(=O)cc(C)n1Cc1ccccc1OC 12451969 QZOZRMWIRUSJQU-IBGZPJMESA-N 411.546 2.990 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@H](C)c1ccccc1)C2 14884944 BEVUXMZXGHIHGO-MRXNPFEDSA-N 415.559 2.908 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 15671277 QBIPTVWHPLUKQX-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA Cc1c(Cl)cccc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccccc1 19582791 IGKINOBOFMSLCL-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA Cc1ccccc1C(=O)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391552 NNVGFAHWHIDIMK-UHFFFAOYSA-N 414.400 2.938 0 50 HFAA Cn1cc(CN2CCC[C@@H](C(=O)c3nccn3C)C2)c(-c2ccc3c(c2)OCCO3)n1 55255104 MZOVYAIGCNLKLC-QGZVFWFLSA-N 421.501 2.687 0 50 HFAA CSCC[C@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91860854 QMUSEELXVODKPI-IBGZPJMESA-N 404.576 2.574 0 50 HFAA O=C(c1ccccn1)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777601 COAXCRUHZCBGOJ-INIZCTEOSA-N 401.430 2.867 0 50 HFAA CCCc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)n[nH]1 248080876 VHJQWTQUIYOTAA-IYARVYRRSA-N 411.506 2.753 0 50 HFAA Cc1csc(CCNC(=O)C[C@@H]2N=C(O)N(c3cccc4ccccc34)C2=O)n1 252489112 JFSQVGTUBHYAGM-INIZCTEOSA-N 408.483 2.983 0 50 HFAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](CC(=O)O)c4ccccc43)cc21 755968397 KUOQYTCSXNBRTD-GFCCVEGCSA-N 400.456 2.684 0 50 HFAA O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccc(Cl)cc1 813481256 CFTFFUJANWZTBZ-ZBFHGGJFSA-N 403.784 2.948 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC(N2CCSCC2)CC1 1506405223 DCCRYJSQKDBQIK-UHFFFAOYSA-N 413.590 2.913 0 50 HFAA CNC(=O)Cc1nc(CCc2ccc(-c3ccc(Cl)cc3)[nH]2)n([C@H]2CCOC2)n1 1772817579 FDPRTRATFYXBDU-KRWDZBQOSA-N 413.909 2.962 0 50 HFAA O=C(NCc1cccc(-n2cccn2)c1)C(=O)Nc1cccc(Oc2cnccn2)c1 1875259099 PKXZWZQCBXXPPA-UHFFFAOYSA-N 414.425 2.710 0 50 HFAA CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCNC(=O)[C@H]1c1ccccc1C 1875340558 IGZFKZPGEIDRQR-JOCHJYFZSA-N 404.470 2.608 0 50 HFAA CCCOc1ccc(CN=c2ccc(S(=O)(=O)NCC(C)(C)[C@@H](C)O)c[nH]2)cc1 1875350199 FAJQOGVBJNDJNK-MRXNPFEDSA-N 421.563 2.590 0 50 HFAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)C1 1940193702 KGYAKKSMKHUYLL-QHCPKHFHSA-N 401.470 2.777 0 50 HFAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCn2ccnc2)cc1 2049513342 BZQZGPASWHFZGP-UHFFFAOYSA-N 407.426 2.925 0 50 HFAA Cc1nc(C)c(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)s1 2325740695 HCTIHPORGDKWNZ-JTQLQIEISA-N 408.501 2.642 0 50 HFAA CN(C)Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4sccc4c3)CC2)nc1 2325744477 VYEJZINGNUBQLT-UHFFFAOYSA-N 423.542 2.645 0 50 HFAA CC(C)[C@H](C)Oc1nn(C)cc1NC(=O)C(=O)Nc1cn(C)nc1O[C@@H](C)C(C)C 2325816844 CQAZFBTXOBQDNE-KBPBESRZSA-N 420.514 2.577 0 50 HFAA COc1ccc(CNC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 4696465 HOCDPAMVBNSQPU-UHFFFAOYSA-N 412.486 2.881 0 50 HFAA COc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc(OC)c1OC 5044071 RPEXRHYKSFHVSX-OAHLLOKOSA-N 414.458 2.874 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1cccc(C(F)(F)F)c1 6162643 VYARKLLAQHGQGE-UHFFFAOYSA-N 416.377 2.808 0 50 HFAA CN(Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)Cc1cnn(C)c1 12299497 RTLNTHAGLGCOHX-XMMPIXPASA-N 420.557 2.850 0 50 HFAA CCN1CCN(C(=O)C2CCN(C3CCN(Cc4ccccc4C)CC3)CC2)CC1 12593879 BQAWTZREXHKIAL-UHFFFAOYSA-N 412.622 2.836 0 50 HFAA O=C(Cn1cccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12612480 XSAZGJOXTNVBPI-DEOSSOPVSA-N 422.573 2.770 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3csnn3)C2)c(OC)c1 12708140 BPGWBUDFHKUWCJ-CQSZACIVSA-N 418.519 2.504 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)c3ccco3)CC2)C1 12717236 VHVJAGOXRZJNIL-HXUWFJFHSA-N 409.530 2.955 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nccs1)CC2 14743881 JHTHVJJDGJTBGJ-UHFFFAOYSA-N 413.547 2.993 0 50 HFAA COc1ccc(CCNC(=O)c2cn(Cc3ccccc3Cl)nn2)c(OC)c1 14975345 WQRSGKFJXMNOMS-UHFFFAOYSA-N 400.866 2.970 0 50 HFAA CCN1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCc1c[nH]c3ccccc13)CC2 14986520 OPIXVBZETAQPLD-GOSISDBHSA-N 411.502 2.503 0 50 HFAA CCN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O 16651969 IQOXFSWQSFNKRH-UHFFFAOYSA-N 405.495 2.574 0 50 HFAA COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)c1 36182150 GYBRWYGHTJXDSF-NVXWUHKLSA-N 423.439 2.940 0 50 HFAA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(OC2CCN(C)CC2)cc1 65363669 UMKFOUYJWVELOZ-UHFFFAOYSA-N 408.495 2.786 0 50 HFAA CCCn1c(=O)c(C(=O)Nc2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21 100706517 KKXWNFUFCSDNLJ-UHFFFAOYSA-N 405.410 2.917 0 50 HFAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2c[nH]cn2)c2ccccc21 263585370 HWPHIYKOZUVGOQ-SFHVURJKSA-N 411.506 2.696 0 50 HFAA biogenic O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)cc1 263619424 YPRHZWZHQDYJAC-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2scnc2c1 670442967 DSKWDYCWDBTXDZ-QKTWPWEVSA-N 404.539 2.594 0 50 HFAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC(N2CCc3ccccc3C2)CC1 1506416775 FJOYYKSGEKOSDY-XMMPIXPASA-N 420.557 2.504 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@]3(CCNC3)C2)ccc1F 1704302807 BNYMHAMZTAIUKG-NRFANRHFSA-N 402.470 2.771 0 50 HFAA Cc1ccc2cc(CN(CCN(C)C)Cc3[nH]cnc3C)c(N3CCOCC3)nc2c1 1704314171 QYFRDYWNIIIVSC-UHFFFAOYSA-N 422.577 2.975 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4cn5cccnc5n4)C3)nc2c1 1857717108 WNEDOYNYHIIGRV-HNNXBMFYSA-N 420.473 2.802 0 50 HFAA O=C(NCC1(CO)CCOCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737825 FILWELOEXTYUNU-AWEZNQCLSA-N 407.898 2.603 0 50 HFAA Cn1cnnc1[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1875340053 JIVLVVGDUNBAAL-IVAOSVALSA-N 408.550 2.962 0 50 HFAA C[C@H]1CCCN(C(=O)[C@@H](NC(=O)c2cc(F)cc3cccnc23)c2cnn(C)c2)C1 2325709969 XHULDSDBBYZPRM-XOBRGWDASA-N 409.465 2.837 0 50 HFAA CCn1cnnc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 2325746989 JVVAARWDELFKDN-UHFFFAOYSA-N 407.449 2.702 0 50 HFAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCS1 2325876310 QPBNSFSFLUXGAF-XZKMEQPCSA-N 415.559 2.799 0 50 HFAA O=C(O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 797259 FJEWWICNTWMZOK-UHFFFAOYSA-N 403.197 2.790 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 9483587 ZDAQZGTVPDAYAN-KRWDZBQOSA-N 403.841 2.757 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 11910826 MRHSCQPDGUCOMU-CEXWTWQISA-N 405.498 2.588 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2cnc(C)cn2)c1 12458718 ZBBANEGKFRUSIX-UHFFFAOYSA-N 424.501 2.503 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1)NCc1ccccc1F 12594539 JAKZVGRYBUDXEE-GOSISDBHSA-N 417.525 2.863 0 50 HFAA CCN(CCO)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 12702126 BIUMSNCEMSXADV-UHFFFAOYSA-N 401.595 2.636 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccnc2)CC3)cc1 14540640 CGELOMVRNGJJIC-UHFFFAOYSA-N 408.502 2.562 0 50 HFAA Cc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14731724 AOJJKLPVEGSPCQ-FQEVSTJZSA-N 410.562 2.967 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@@H](C)c1ccccc1)C2 14884942 BEVUXMZXGHIHGO-INIZCTEOSA-N 415.559 2.908 0 50 HFAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-n2cc(-c3ccccc3)c(N)n2)c1 71415817 TXVYGVLHSGWYSE-UHFFFAOYSA-N 400.460 2.506 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)cc1 76929837 BYMFNXPWHCGWHW-MRXNPFEDSA-N 406.504 2.736 0 50 HFAA C[C@H]1CCCCN1C[C@H](O)COc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)cc1 239412535 SUXCVKYOWFEMAD-LRSLUSHPSA-N 420.594 2.915 0 50 HFAA Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 245240977 VWGGZKLSAOKBTB-SHTZXODSSA-N 413.470 2.976 0 50 HFAA biogenic COC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccccc1 252427746 DRCXGILGRFLRJR-XTJBDQBJSA-N 423.509 2.974 0 50 HFAA COc1ccccc1CCNC(=O)CCN1C=Cc2cc(OC)c(OC)cc2CC1=O 253407383 JVFLYFAEEHMEHU-UHFFFAOYSA-N 424.497 2.817 0 50 HFAA biogenic COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccc(OC)c2OC)CNC3=O)c1 263615955 GFOFXKPKCWIUGI-HXUWFJFHSA-N 408.458 2.608 0 50 HFAA CNC(=O)[C@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 426574721 LIEGEBJARZWIJJ-HNNXBMFYSA-N 416.547 2.509 0 50 HFAA O=C(Cn1ncn2nccc2c1=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 486769569 GKINMTHLDCYYFG-UHFFFAOYSA-N 418.501 2.910 0 50 HFAA CC[C@](O)(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1cccc(Cl)c1 800513876 ALHDZYHVMWFBJR-OAQYLSRUSA-N 402.878 2.628 0 50 HFAA O=C1N2Cc3cn(nn3)CCCOc3cccc(c3)[C@@H]3NCC[C@@]13c1ccccc12 952856837 NFRPOOLHZIYVOC-GMAHTHKFSA-N 401.470 2.580 0 50 HFAA COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)CC3OCCCO3)c2C)c1 952887824 AYFYNMCICRGOCD-IBGZPJMESA-N 415.490 2.551 0 50 HFAA O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1onc2c1CCCC2 1467610316 YMHXHOVXAFMICS-OAHLLOKOSA-N 404.264 2.851 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3cscn3)C[C@@H]1CN(Cc1nc3ccccc3[nH]1)C2 1772804181 IKKUHEAMKZSMNC-VFNWGFHPSA-N 411.531 2.818 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 1940197279 FGPKRZZHLFBPNI-SFHVURJKSA-N 409.530 2.890 0 50 HFAA O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1c[nH]c2ncnc(O)c12 2325862791 IXGLNMOXOOZRNU-UHFFFAOYSA-N 423.454 2.858 0 50 HFAA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 794540 UVTOFWFHRJHJGA-LLVKDONJSA-N 402.255 2.578 0 50 HFAA COc1ccccc1N(C[C@H](O)Cn1nc(C)cc1C)S(=O)(=O)c1ccccc1 895751 QRSHGBBEMOJSGI-GOSISDBHSA-N 415.515 2.765 0 50 HFAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899530 QQBXQUZPAQRSRH-UHFFFAOYSA-N 416.524 2.535 0 50 HFAA CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cnccn1 2391999 NJUQSRXKNRGVSP-UHFFFAOYSA-N 400.464 2.503 0 50 HFAA CC1=NN(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)[C@@](O)(C(F)F)C1 6395350 CVXQJORONOFNMP-INIZCTEOSA-N 402.760 2.888 0 50 HFAA Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 6456674 XPWLWGMEWYRWRE-UHFFFAOYSA-N 424.461 2.664 0 50 HFAA COc1ccc(CN2C[C@@H](CN3CCCC3)C[C@@H](C(=O)NC3CC3)C2)cc1OC 14748402 DTKFYHQBCAITTC-RTBURBONSA-N 401.551 2.516 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCN1CCCO1 15075221 NUFGJAHGNDZUQZ-NRFANRHFSA-N 403.567 2.826 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccco1 19953457 FOMRYAWZPAEPSN-UHFFFAOYSA-N 417.872 2.694 0 50 HFAA CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)CC1 170611697 WCNBIQOMNNLGFQ-XMSQKQJNSA-N 424.607 2.574 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c1 463336421 WEMCZJSLMBCVBO-HXUWFJFHSA-N 422.453 2.904 0 50 HFAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2cc(Cl)cc3c2OCOC3)n[nH]1 952964302 YMTXMWQALRYTST-UHFFFAOYSA-N 401.854 2.877 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(OC)ccc(F)c2F)cc1OC 1529192189 QWEGMHIFESKDNV-TZIWHRDSSA-N 409.429 2.925 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(F)cc1)C2 1857695015 POGPZAZNPZHOIB-QMHWCDLVSA-N 418.509 2.722 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c1C 1857718709 PPIPWVKPUTZOLT-REWPJTCUSA-N 412.534 2.623 0 50 HFAA CC[C@H]1CCc2c(sc(=O)n2CN2CCC(C(=O)Nc3cnccn3)CC2)C1 1875254202 DJELHNKZIBRYHB-AWEZNQCLSA-N 401.536 2.523 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(F)c1 2325819813 QQUWCHBPUDCCJP-ZBFHGGJFSA-N 404.463 2.549 0 50 HFAA O=S(=O)(c1cccc2c1OCCO2)N1CCC2(CC1)OCCc1sccc12 2356163933 XNJLMUDRAZXJPX-UHFFFAOYSA-N 407.513 2.772 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)cc1 780804 FHBJHOZBOYOSAP-IBGZPJMESA-N 420.506 2.620 0 50 HFAA O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 1114572 PYMNCYWDZQJHHR-UHFFFAOYSA-N 403.456 2.947 0 50 HFAA NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 2349803 AVUDCJNGPFWOHR-UHFFFAOYSA-N 413.349 2.738 0 50 HFAA CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)cn1 2804081 RJZUVMANOLDXPJ-UHFFFAOYSA-N 401.279 2.650 0 50 HFAA COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1F 11818232 DZTZDNKEAHCDMI-IBGZPJMESA-N 410.453 2.803 0 50 HFAA CCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)c1C 12431896 TZKBWHGXCQQDMN-LJQANCHMSA-N 412.534 2.626 0 50 HFAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CN2CCCCC2=O)C1 15069265 SHSSTFWNSGJYFD-HSZRJFAPSA-N 416.518 2.640 0 50 HFAA COc1cccc(OC)c1-c1cnnc(N2CCCC[C@H]2CCN2CCOCC2)n1 19220569 DXZIPMATPOMPCP-KRWDZBQOSA-N 413.522 2.637 0 50 HFAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 40268518 XCNRXOUQFBCWJV-MRXNPFEDSA-N 403.446 2.880 0 50 HFAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1 55036126 FSVFJRJTVUPPHQ-MOPGFXCFSA-N 400.567 2.755 0 50 HFAA COc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2ccnc2)CC1 67954369 BPPKJCWZFARRBM-LJQANCHMSA-N 406.534 2.792 0 50 HFAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)c(OC)c1 169764172 UGRHDXYNQWLVBZ-UHFFFAOYSA-N 414.437 2.510 0 50 HFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1 169770479 DZHWNJKNYVZYOX-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(OC)c1 247999201 CKUABNQHXVSYGJ-BCTVVMEASA-N 402.491 2.969 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 426193479 IPABTMMDVOCIPX-HQTAAQSSSA-N 413.949 2.727 0 50 HFAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1)C2=O 771665161 MGHMKNZTOUJUIM-XEXNZASOSA-N 419.497 2.501 0 50 HFAA CN1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952865536 QLQSNQNJRHPPCB-LADGPHEKSA-N 415.497 2.922 0 50 HFAA O=C(O)c1sccc1S(=O)(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1506412479 DYLDKWYCEDGNLH-CVEARBPZSA-N 406.529 2.731 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3nc(CSC)no3)C2)cc1 1506414119 CLDAGJUWJDTNMW-INIZCTEOSA-N 404.536 2.512 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)CC2)c1 1506414487 ZUNSNFUSILDQOK-HXUWFJFHSA-N 406.530 2.634 0 50 HFAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3ccc4cc(O)ccc4c3)C[C@H]2CO1 1857712363 WJUXUXJMWIFZHV-URVUXULASA-N 420.513 2.901 0 50 HFAA CN(Cc1cc(-c2ccccc2)no1)C[C@]1(O)CCCN(c2ncccc2C(=O)O)C1 1857720790 KOBHZJOZGBACNQ-HSZRJFAPSA-N 422.485 2.898 0 50 HFAA C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CCN1c1ccccc1F 1875262045 FYLYBCMPAYJWKY-OXJNMPFZSA-N 404.507 2.519 0 50 HFAA C[C@H]1CC2(CO1)CC(NC(=O)C(=O)NC[C@H](C)c1ccc(Br)cc1)C2 1875330762 ZHLIDYMGLLJVQB-IMMMEFPGSA-N 409.324 2.743 0 50 HFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 2325819881 STTNQQQIOFNPPN-ZBFHGGJFSA-N 404.463 2.549 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cc3c(cc2Br)OC(C)(C)O3)C1 2325889443 QSVNIZCFVMSUKP-GFCCVEGCSA-N 423.307 2.997 0 50 HFAA CC(=O)Oc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1136269 GHTQPSUAIXWCMN-OAHLLOKOSA-N 408.410 2.639 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1 1146830 DMNKXKUBNVAPMW-UHFFFAOYSA-N 413.293 2.717 0 50 HFAA CCN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)CC1 4149923 XDPBHVVYPDPDPS-UHFFFAOYSA-N 411.531 2.881 0 50 HFAA CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OCC)c1 6698324 JNRQXXXZROBSRJ-UHFFFAOYSA-N 418.515 2.631 0 50 HFAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(c2ccccc2F)CC1 10327468 DRGVTHCUNOFDAI-UHFFFAOYSA-N 412.490 2.736 0 50 HFAA CC(C)OCCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccsc3)nc2C1 11841424 CYVIOACPTOIXOV-GFCCVEGCSA-N 407.517 2.743 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nc3ccccc3[nH]2)CC1 11935180 WHPSUHPYMXXUCF-UHFFFAOYSA-N 422.485 2.509 0 50 HFAA O=C(NC[C@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 12323159 XTVNMDBTAVEGKV-NRFANRHFSA-N 410.495 2.629 0 50 HFAA Cn1nc(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4Cl)c3C2)ccc1=O 19790283 QDSFXSBNYQHIJU-UHFFFAOYSA-N 404.257 2.676 0 50 HFAA Cc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc(-n2cnc(C)c2C)n1 72437945 UGKMKMOBEGJGOE-UHFFFAOYSA-N 412.444 2.828 0 50 HFAA CC[C@H](O)CNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72447369 UTXQLITXWXSMAL-INIZCTEOSA-N 414.893 2.727 0 50 HFAA Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 170594032 CEHZRJBIQMUQIY-LLVKDONJSA-N 411.789 2.812 0 50 HFAA O=C(CN[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 225352434 DXRXGRWYXJHXMC-QPPBQGQZSA-N 422.573 2.698 0 50 HFAA CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239338610 KUYCXVIVTIVWJU-NZYKTSHISA-N 421.493 2.879 0 50 HFAA C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 240551438 GTSLTTFHCFJNNQ-APIJFGDWSA-N 421.519 2.828 0 50 HFAA Cc1ccc(-c2nnc(SCC(=O)NS(=O)(=O)c3ccc(C)cc3)n2C)cc1 241884882 SYMZLMWXPHIIPW-UHFFFAOYSA-N 416.528 2.696 0 50 HFAA COCCOc1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nnc3S)c2)cc1 253425247 RKNCHVPCUOGVBV-UHFFFAOYSA-N 420.516 2.690 0 50 HFAA Cc1ccc([C@@H](NC(=O)c2cc3ncc(CCO)cn3n2)c2cccnc2)cc1C 670454839 UYCGECXNNXBWNX-JOCHJYFZSA-N 401.470 2.795 0 50 HFAA CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2cccn2)c1 725889111 FKEMJOZJASJZII-UHFFFAOYSA-N 418.906 2.792 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 1506420738 JTOBMYLMAOZKMS-UHFFFAOYSA-N 402.516 2.845 0 50 HFAA O=C(C1=Cc2ccccc2OC=C1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704297110 BOTPTBVMJJIADE-XUZZJYLKSA-N 405.450 2.883 0 50 HFAA Cc1ccc(CN2C[C@H]3CN(C(=O)c4cccc5c4CCC5=O)C[C@@]3(CO)C2)s1 1772817687 VACBXWWMYIOVJQ-QMHKHESXSA-N 410.539 2.752 0 50 HFAA CCN(C)CCC(=O)NC[C@H]1[C@H]2CN(Cc3cc(C)ccc3F)C[C@]23CC[C@H]1O3 1857721662 AEWVEMIKFDKDEC-KLJZETAQSA-N 403.542 2.572 0 50 HFAA O=C1CCCN1C[C@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(O)n2)C1 1875343118 RDRDSRMZPUUJFY-GFCCVEGCSA-N 418.291 2.787 0 50 HFAA CC(C)(NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1noc(C(N)=O)n1 2325726351 LFRZUQLBMNICPK-UHFFFAOYSA-N 409.377 2.781 0 50 HFAA CCN1CCc2c(cccc2NC(=O)C(=O)NCc2ccccc2-n2ccc(C)n2)C1 2325744460 ACBPOKDTZQOOCY-UHFFFAOYSA-N 417.513 2.814 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cn3c(=O)oc4ccccc43)C2)c2cccc(=O)n21 2356143179 XQEMAELREGAQDQ-BBWFWOEESA-N 407.470 2.743 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)cc1OC 686843 KEQVRIFBCQVNOB-UHFFFAOYSA-N 410.517 2.685 0 50 HFAA CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 13613558 DKRWKGMTFXBDBC-UHFFFAOYSA-N 418.515 2.808 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NC1Cc3ccccc3C1)C2 14532476 MHVVEVPIBLFYSA-FQEVSTJZSA-N 422.573 2.626 0 50 HFAA Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 20999135 RAYMQNUZQSBPHN-UHFFFAOYSA-N 403.530 2.812 0 50 HFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nn2)n1 67629409 WFRBCDKNYSHJQA-UHFFFAOYSA-N 415.501 2.652 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77486805 YSCMUVASMOELHK-JCUDRXCFSA-N 409.530 2.853 0 50 HFAA CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 170603737 PWOLRKNOROTQIM-NRFANRHFSA-N 420.531 2.672 0 50 HFAA COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c(OC)c1 170612525 OVHJGQCTVWWYTL-IBGZPJMESA-N 417.487 2.773 0 50 HFAA O=C(/C=C\c1cn(Cc2ccccc2)nn1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 221910640 PVJLSGIUQVMZKZ-XPTLAUCJSA-N 415.453 2.633 0 50 HFAA COc1cc(C2(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CCCC2)ccc1C 460456254 GFPFTQORTQSFKY-SFHVURJKSA-N 410.518 2.861 0 50 HFAA Cc1nn(-c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)c(=O)c2ccccc12 828161096 DAKMHGGWPZDEIE-UHFFFAOYSA-N 401.426 2.885 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(C)ccc2OC)cc1OC 1529120904 TZPCOMUOBLDIOY-NHCUHLMSSA-N 401.459 2.595 0 50 HFAA O=C(c1cc(O)nc2cc(F)ccc12)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875248564 XXQURSZKQOJXNT-DYESRHJHSA-N 407.445 2.977 0 50 HFAA CN1CCc2nc[nH]c(=NC[C@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)c2C1 1875260048 ZRMPVPOIPIOTEX-SFHVURJKSA-N 411.550 2.777 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cnc(SC)nc2)CC1 11708935 OOPFEMHRNYWOEP-LJQANCHMSA-N 405.612 2.791 0 50 HFAA CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1=O 13955737 AXGUZINBEZVGBA-XYJFISCASA-N 401.507 2.523 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 14541021 YRFFXFUKZUFPSQ-UHFFFAOYSA-N 422.529 2.570 0 50 HFAA C[C@@H](CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 17082419 RBTGLBVYSJLRQL-CQSZACIVSA-N 402.472 2.877 0 50 HFAA Cc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)cc2nc1C 169828766 DFXYQZKFQNHJLA-UHFFFAOYSA-N 414.469 2.721 0 50 HFAA CC(=O)N1CC[C@@H](CN(C)Cc2c(Br)cncc2Br)C1 225422300 FETQTVRYAPSYHX-NSHDSACASA-N 405.134 2.907 0 50 HFAA CC[C@H]1CN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)C[C@]2(CCOC2)O1 225440917 SJFPNEHLGFPUCH-ZSEKCTLFSA-N 404.463 2.604 0 50 HFAA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)N1CCOCC1 239433673 YHFJHTLJRUEAGH-WMHQRMGPSA-N 418.515 2.553 0 50 HFAA Cc1ccc(-c2nn3ccn(CC(=O)Nc4ccc(F)cc4)c(=O)c3c2CO)cc1 263615174 AZQVZAFVSIRJKJ-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA CC(C)Cn1nc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c2ccccc2c1=O 468621641 NCJCFVRRMKHCEQ-HNNXBMFYSA-N 409.490 2.932 0 50 HFAA Cc1sc2nc(CCNC(=O)CN3C[C@@H](c4ccccc4)CC3=O)nc(O)c2c1C 827831065 NHTJPTKFWNPRRJ-INIZCTEOSA-N 424.526 2.689 0 50 HFAA CN1CCC(n2nccc2NC(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC1 1529174417 RSJAQRUTYTZVPG-UHFFFAOYSA-N 409.515 2.903 0 50 HFAA Nc1c(O)nc(O)nc1C(=O)N[C@@H]1CCCc2c(OCc3ccccc3)cccc21 1772572766 DZBXQBHHXZDUJS-MRXNPFEDSA-N 406.442 2.856 0 50 HFAA COCCC[C@@]1(CO)CN(C(=O)c2cc(C)nc3ccc(Cl)cc23)CC[C@H]1O 1857712792 SPRDLVOYBFSFBI-CTNGQTDRSA-N 406.910 2.809 0 50 HFAA CO[C@@H]1CC[C@H](c2nc(COc3ccc(C(C)(C)C)cc3)nn2CCO)C[C@H]1N 1857720792 KOLZRISMBXLFTF-KFKAGJAMSA-N 402.539 2.757 0 50 HFAA CCc1ccc(S(=O)(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)s1 1857723042 URIRASWGYFLOTI-QKLQHJQFSA-N 418.540 2.774 0 50 HFAA Cc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)O)Cc2cn(Cc3ccc(C)o3)nn2)cc1 1875355205 CWNOKZJBZOWEJY-AEFFLSMTSA-N 410.474 2.842 0 50 HFAA CN(C)C(=O)CCCC(=O)N1C[C@H]2CN(C(=O)c3ccc4sccc4c3)C[C@H]2C1 1875361633 XHSITZQXDCJFOI-HDICACEKSA-N 413.543 2.690 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc3nnc([C@@H]4CCCO4)n3n2)C1 2325728896 BHJFDAQFYBWFJP-CVEARBPZSA-N 411.441 2.515 0 50 HFAA CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4384662 WWNHXDZNMUOMLL-LJQANCHMSA-N 414.389 2.805 0 50 HFAA COc1ccccc1-n1cc(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)cn1 11661010 IEAHNLJCJXBDDH-UHFFFAOYSA-N 406.421 2.590 0 50 HFAA CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cn[nH]c1)C2 11791346 YJYDSZLUUJDZBR-UHFFFAOYSA-N 421.526 2.964 0 50 HFAA COc1ccc(CCNC(=O)Cn2cc(NC(=O)CCOc3ccccc3)cn2)cc1 12038158 BKXWCTSYPIHPQP-UHFFFAOYSA-N 422.485 2.658 0 50 HFAA CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 12412788 FVKLRUKYBYKNQN-QGZVFWFLSA-N 422.437 2.803 0 50 HFAA C[C@H](C(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1)N1CCCC1=O 19794736 YPIQZQNOJGOMOQ-LJQANCHMSA-N 405.542 2.783 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(CCCOc4ccc(F)cc4)c2=O)CCCC3)no1 169763875 MQMXXPJYUNUWRA-UHFFFAOYSA-N 414.437 2.567 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777748 RGJSLJRBKGKKED-GDBMZVCRSA-N 408.462 2.837 0 50 HFAA COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(F)c3)C2)s1 170606281 RNRUZDFRWOLOHJ-CQSZACIVSA-N 412.508 2.964 0 50 HFAA C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 252693624 FHTMINSWFXHFIA-DKFMLRBVSA-N 404.459 2.683 0 50 HFAA biogenic Cn1ccnc1[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 253401454 FPNLXMIVSFGFBY-ICSRJNTNSA-N 417.469 2.531 0 50 HFAA COc1ccc(CNCC[C@H]2CCC(=O)N2C[C@H]2CCCN(c3ncccn3)C2)cc1 299782644 GFZCWQIAIIVGIU-LEWJYISDSA-N 423.561 2.873 0 50 HFAA Cc1nc([C@@H](C)NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n[nH]1 426430723 LDXFTPZEJSPRJM-LLVKDONJSA-N 400.508 2.829 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N[C@H]3CCCN(Cc4cccs4)C3)ccc2N1 828281745 UGEPEAGXIVHIAI-HNNXBMFYSA-N 405.545 2.576 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)c3cccc(O)c3)CCCCC2)o1 1857526287 UKKYJWSMDZSQNF-SFHVURJKSA-N 401.459 2.801 0 50 HFAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857720771 JNZUTKABBFVEIA-IMSXRSKXSA-N 414.465 2.787 0 50 HFAA Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CCO2)o1 1875253268 VUXBNQLQOUOKPB-XLIONFOSSA-N 418.515 2.589 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 2356167449 PAXUZUJVSJBTEG-UHFFFAOYSA-N 413.421 2.959 0 50 HFAA O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 783984 RWDJNTWJAYUGMU-UHFFFAOYSA-N 409.505 2.956 0 50 HFAA O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1 1122723 UKYCWJHPCYQFCH-UHFFFAOYSA-N 401.378 2.828 0 50 HFAA O=C(Cc1ccccc1)NCC(=O)OCc1ccc(I)cc1 1136725 SLIIJQOIMWFOGJ-UHFFFAOYSA-N 409.223 2.693 0 50 HFAA CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1 3797946 HKXMQLISPYELRD-UHFFFAOYSA-N 411.487 2.681 0 50 HFAA biogenic,investigational COc1ccc(C[C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 4788711 RNQNMUBKVRPTCD-HNNXBMFYSA-N 418.515 2.740 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(Cl)cc3)n2)cc1OC 5388779 AYCRSNNDEWPDHB-UHFFFAOYSA-N 413.861 2.897 0 50 HFAA CC(C)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 5789700 RAAJQFKDIRWBAB-UHFFFAOYSA-N 423.561 2.544 0 50 HFAA O=C(CN1C(=O)CSC1=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 12076605 BZZMJLLBHFUUKE-OAQYLSRUSA-N 407.580 2.967 0 50 HFAA COc1cc(CNCCC2=CCCCC2)ccc1OC[C@H](O)CN1CCOCC1 12746702 NYSPXXWVSHVDDW-OAQYLSRUSA-N 404.551 2.747 0 50 HFAA CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)CCc1c[nH]c3ccccc13)CC2 14986519 OPIXVBZETAQPLD-SFHVURJKSA-N 411.502 2.503 0 50 HFAA Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 17092263 PHNKPZZVIWDSNN-UHFFFAOYSA-N 420.516 2.639 0 50 HFAA O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19309370 UHQXMYLPHSPWLQ-HXUWFJFHSA-N 418.921 2.764 0 50 HFAA Cc1ccc(C)c(NC(=O)CC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 55270734 QZPYWGRPJBXCCU-IBGZPJMESA-N 400.567 2.507 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 82157501 YYBQCZUXUCJNHC-FQEVSTJZSA-N 412.578 2.981 0 50 HFAA COCCCN(C)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91713657 TUWPJTKBGLWWLR-QFIPXVFZSA-N 413.606 2.825 0 50 HFAA COc1cc(OC)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1Br 170650703 FXWKIWREGQGCQH-UHFFFAOYSA-N 416.249 2.965 0 50 HFAA CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)SCCO1 225501579 LCMATBLFVIWBIU-UHFFFAOYSA-N 410.561 2.638 0 50 HFAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]2C=C[C@H]1O2 247351558 CIVPYIYPPGXZPD-GXRSIYKFSA-N 418.493 2.574 0 50 HFAA O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1)C1CCC1 263616387 IKEAGRTZTUBAHE-OAQYLSRUSA-N 413.497 2.569 0 50 HFAA CCn1c(O)nc2cc(C(=O)N3c4ccccc4CC[C@@H]3CN(C)C)ccc2c1=O 328596560 CETYBKRYROMLTD-QGZVFWFLSA-N 406.486 2.645 0 50 HFAA CC(C)Oc1cccc([C@H](C)Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c1 468702231 ZDBDNKWIAQGHBP-INIZCTEOSA-N 417.531 2.913 0 50 HFAA Cn1nc2cccc(S(=O)(=O)NC[C@H](c3ccccc3)N3CCCCCC3)c2n1 670446533 RMMSQWGXNZGVCH-LJQANCHMSA-N 413.547 2.864 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c3ccccc3n2)o1 744626707 SSDBAGHEHIHCLJ-FATZIPQQSA-N 418.453 2.911 0 50 HFAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804412465 ROFNAFYYFVSMMU-NRFANRHFSA-N 416.481 2.636 0 50 HFAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 952966014 GKZOKXBYFJXMGJ-CQSZACIVSA-N 401.444 2.922 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCCN(Cc3cccs3)CC2)CC1 1506425825 GRESKCDMFVIVBI-UHFFFAOYSA-N 412.559 2.730 0 50 HFAA COc1ccccc1N1CC[C@@H](N(C)S(=O)(=O)c2cccc3cnccc23)C1=O 1775997733 QXEANMIURHSHTH-GOSISDBHSA-N 411.483 2.669 0 50 HFAA COc1cccc(F)c1-c1nccn1-c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1857682149 JLSLGGAREKPQOA-AWEZNQCLSA-N 404.467 2.860 0 50 HFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C1)CC2 1857740627 MTXYZLWCBMPLBX-QHCPKHFHSA-N 403.486 2.856 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)Cc1cnc[nH]1)c1ccc(-n2cnnn2)cc1Cl 2325716042 LTSVWCRSAFUIKG-HNNXBMFYSA-N 407.865 2.623 0 50 HFAA Cc1ccc(C(=O)N2CCC(c3nc(C(=O)O)cs3)CC2)cc1NS(C)(=O)=O 2325852961 ZSLAGDQGSRJTRR-UHFFFAOYSA-N 423.516 2.541 0 50 HFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)n1 2356146558 LDHVJQCLCVHCEI-ZDUSSCGKSA-N 404.536 2.972 0 50 HFAA O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 1150268 UMJBQPFWMNTKFP-CPNJWEJPSA-N 416.389 2.847 0 50 HFAA aggregator CC(C)OCCCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1 11881664 BYNIAJWGBGZJPL-LBPRGKRZSA-N 405.476 2.665 0 50 HFAA CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(I)cc1 12292375 VVOWLNUXUAGTCN-UHFFFAOYSA-N 417.224 2.815 0 50 HFAA Cn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2cccc(Cl)c2)n(C)c1=O 12342456 SGWGOWZFGXNTSY-UHFFFAOYSA-N 401.898 2.880 0 50 HFAA biogenic Cc1c(CC(=O)NCCN2CCOC2=O)c2c(n1CC(C)C)CC(C)(C)CC2=O 12443356 DUWGMRKSJZZEQF-UHFFFAOYSA-N 403.523 2.719 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 13679333 COKSNGCUWRKYGS-GOSISDBHSA-N 406.479 2.701 0 50 HFAA Cc1cc(CN(C)[C@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)on1 14537531 GHHJJYBJYSFJBU-SFHVURJKSA-N 407.518 2.978 0 50 HFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 14741789 UYRVOBWUJLDQQZ-UHFFFAOYSA-N 420.513 2.835 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)c1 15071642 QHNKYEACLXQYLU-ZDUSSCGKSA-N 402.476 2.632 0 50 HFAA COc1cccc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)c1 15073251 NGCWJOGPMHRMJG-GOSISDBHSA-N 414.554 2.913 0 50 HFAA CCOC(=O)CNC(=O)N1CCC[C@@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 15073528 SOSTVSHOLDSXIK-FQEVSTJZSA-N 410.898 2.801 0 50 HFAA COC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 16626362 JBMDEXZMWBNWPP-CQSZACIVSA-N 400.566 2.594 0 50 HFAA COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 20201079 ITWRXCQHENQNEP-UHFFFAOYSA-N 419.529 2.892 0 50 HFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 65364789 WCKOXEPZASXJJU-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA C[C@H]1CN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CCN1 67834157 UCRFYDLEDKKHAY-KRWDZBQOSA-N 405.546 2.669 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 72442533 PLBWJBHHIFNLJL-UHFFFAOYSA-N 420.517 2.949 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cccnc3)[C@H]4C2=O)cc1C 77406738 KTJSYWRTGVXXQJ-XARGGIHNSA-N 403.482 2.643 0 50 HFAA Cc1ccnn1CC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95504462 HNQSWSAILUNTLR-MRXNPFEDSA-N 404.461 2.805 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1)c1ccccc1 245380249 USTLVBOTJNQINT-VQTJNVASSA-N 402.516 2.686 0 50 HFAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)C1 253418655 UPWXUPCNAFDOGY-ZDUSSCGKSA-N 411.449 2.997 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)CC3 491565080 SBXFCNURNJHLDF-VOIUYBSRSA-N 416.481 2.818 0 50 HFAA Cc1ccccc1N1CC[C@@H](CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1 827758194 SUHWOSVKCHOOEA-IBGZPJMESA-N 406.530 2.885 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3C)C2)cs1 952976303 VGGPHTKXQZPMKI-OAHLLOKOSA-N 408.545 2.896 0 50 HFAA O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[C@](O)(Cc2cccc(F)c2)C1 1875254823 XFFFCYOIHBQQBU-DJJJIMSYSA-N 411.399 2.879 0 50 HFAA O=C1N[C@H](c2ccccc2Cl)C(=O)N1c1cccc(S(=O)(=O)NC2CC2)c1 1875265183 UEZIYYVLKIBMLO-MRXNPFEDSA-N 405.863 2.578 0 50 HFAA Cn1cc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)c(F)c2)c(=O)n(C)c1=O 2325732316 SRQGRNQAGOIFEF-UHFFFAOYSA-N 420.400 2.816 0 50 HFAA O=C(CN1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O 2325863550 NRQUZLQZANVEFJ-VJBWXMMDSA-N 421.541 2.537 0 50 HFAA Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 789132 PVNIXLRXFNVESU-UHFFFAOYSA-N 410.879 2.824 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 9356051 HCYYPZPHTUVAKB-HNNXBMFYSA-N 404.488 2.713 0 50 HFAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccccc2)CC3)c(C)c1 11995862 PQCADSKQSITGTM-UHFFFAOYSA-N 403.530 2.926 0 50 HFAA COc1ccc(OC)c(Cc2nnc(CCC(=O)N(C)Cc3ccncc3C)o2)c1 12304898 XSGMHNJIOLROCJ-UHFFFAOYSA-N 410.474 2.972 0 50 HFAA CC(=O)NCCNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12432441 NOWWUSUSBROMRT-UHFFFAOYSA-N 407.942 2.992 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2c2ccccc2OC)n1CCOC 12433884 CVVDRWFFGRYJBD-SFHVURJKSA-N 407.536 2.669 0 50 HFAA CCS(=O)(=O)c1ncc(CN(Cc2cnn(C)c2)C(C)C)n1Cc1ccccc1 12434107 FSGIPXVXDRTQBV-UHFFFAOYSA-N 415.563 2.869 0 50 HFAA COc1ccccc1OCc1cc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)no1 12712418 YIGPYMFKHPYVCA-MRXNPFEDSA-N 423.473 2.699 0 50 HFAA CCCCN(C)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O 14880684 WBUWFFMPFMZSQL-OAQYLSRUSA-N 407.942 2.547 0 50 HFAA Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 14989900 SCAOANTYSWRDQM-UHFFFAOYSA-N 421.520 2.685 0 50 HFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(N2CCOCC2)cc1 52537661 POROXMPSLLPDCC-UHFFFAOYSA-N 414.937 2.937 0 50 HFAA O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1 59367220 XQFWNRPTNHJHKH-LJQANCHMSA-N 405.498 2.784 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 59367269 OUTBZDZTRYXZMM-NBVRZTHBSA-N 421.501 2.528 0 50 HFAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67621252 CZHBNLOGTZCSPH-UHFFFAOYSA-N 403.273 2.932 0 50 HFAA COCCC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77471527 OHYDCWQFKSTVPZ-UHFFFAOYSA-N 414.527 2.749 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccccn2)cs1 169772682 ONAFIBWMFUOFME-OAHLLOKOSA-N 407.455 2.675 0 50 HFAA C[C@@H](Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 206057189 BAMWYPCZJUTPAE-SFHVURJKSA-N 405.498 2.629 0 50 HFAA O=C(Nc1ccc2c([C@H](C(=O)O)N3CCCC3)c[nH]c2c1)[C@H]1CC=CC[C@H]1C(=O)O 245254866 CVVAMRVBJQYEBK-FRQCXROJSA-N 411.458 2.995 0 50 HFAA C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)c2ccsc2S1(=O)=O 461614885 BVAAKFUDSKQATH-KSSFIOAISA-N 420.556 2.617 0 50 HFAA O=C(CCc1nc2ccccc2[nH]c1=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 670461978 WEFDAVDIEDFGFY-QGZVFWFLSA-N 408.477 2.776 0 50 HFAA Cn1cnnc1Sc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 670465619 FKEXYHBDEQMOHD-UHFFFAOYSA-N 413.503 2.606 0 50 HFAA CC(C)NC(=O)c1cc2c(s1)C1(CCN(C(=O)[C@@]3(C)CCCNC3)CC1)OCC2 1857690696 PCCOBAMPASNUSR-NRFANRHFSA-N 419.591 2.666 0 50 HFAA C[C@H](C(N)=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC2CCC2)CC1 1857692556 KGGOZNZJDFLCQN-MRXNPFEDSA-N 405.546 2.684 0 50 HFAA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc(OC)c(OC)cc1OC 815870 AMVZCPGCZJCPLT-UHFFFAOYSA-N 405.447 2.634 0 50 HFAA CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cnccn1 2392272 MOVDBYPXVMUQDS-UHFFFAOYSA-N 400.464 2.503 0 50 HFAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCO 2675137 DPQYUIDPBNGWJK-UHFFFAOYSA-N 415.540 2.527 0 50 HFAA CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 4384663 WWNHXDZNMUOMLL-IBGZPJMESA-N 414.389 2.805 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccc(OC)c3)cc2)CC1 12430867 CIVKSFUUIATBNN-UHFFFAOYSA-N 412.486 2.641 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccnc1)CC2 14537896 DKXWHTOORFOPDM-UHFFFAOYSA-N 404.514 2.868 0 50 HFAA CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 33318542 PUSXTAFPTROIGV-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 225404630 JUXFBGRIZJOUGA-BEFAXECRSA-N 403.504 2.897 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@H](CC)CN1CC(C)(C)O 230255725 PJCJLBWSTCSOOH-ZWKOTPCHSA-N 400.527 2.745 0 50 HFAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239306120 GLLCMJANBCAWNW-LABABHMHSA-N 413.857 2.508 0 50 HFAA CCNC(=O)C1CCN(C(=O)[C@@]23CCCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 242317078 YXCUBNLDHOIVSM-HTAPYJJXSA-N 407.555 2.788 0 50 HFAA CC(C)(C)n1cnc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 253428842 OKAUOGWOAKYFBI-UHFFFAOYSA-N 411.915 2.723 0 50 HFAA O=c1cc(N2CCC2)cnn1[C@H]1CCCN(Cc2cc(O)ccc2Br)C1 328606910 TXSUHVHAULXOBH-HNNXBMFYSA-N 419.323 2.759 0 50 HFAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC3)n2)cc1 952894825 UFVPLLFSASGDSE-OAHLLOKOSA-N 417.531 2.539 0 50 HFAA CN1CCCC[C@H]1CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 952980913 BAKGJKCLCUQFPK-NSHDSACASA-N 406.430 2.793 0 50 HFAA CCOc1cc2c(cc1CN1CCCN(S(=O)(=O)N3CCCCC3)CC1)CCC2 952986070 JLBASBKCBPDGKV-UHFFFAOYSA-N 421.607 2.812 0 50 HFAA COc1cc(OC)cc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 1857681178 BKPDDNWPJKXTIE-INIZCTEOSA-N 416.503 2.729 0 50 HFAA O=C(Cn1ccc2ccccc21)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1noc(C2CCC2)n1 1857688405 HUENMVLYEVRXFP-OALUTQOASA-N 419.485 2.694 0 50 HFAA Cc1ccnn1CCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857735628 IESCJWBOJWRETP-QHCPKHFHSA-N 418.501 2.646 0 50 HFAA C[C@H](NC(=O)[C@@H](C)n1nnc2cc(Cl)ccc2c1=O)c1ccc2c(c1)OCCO2 1875255860 RXGQYSKBNCYUHH-NWDGAFQWSA-N 414.849 2.655 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1cn(-c2ccccc2)nn1 2356152533 OHHCVBIFJXJMLF-HSZRJFAPSA-N 402.502 2.820 0 50 HFAA O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356161777 JPTZFCUJFCHBPO-SEONNTABSA-N 408.477 2.700 0 50 HFAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1/C=C/c1ccccc1OC 2508882 ILMDJASXOWRGCS-FDMDGMSGSA-N 416.499 2.876 0 50 HFAA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3OC)NC(=O)N[C@]2(O)C(F)(F)F)cc1 6924862 LGAGAQGJDZRIPH-FRQCXROJSA-N 424.375 2.808 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 9197316 ZABZUCBYPGMIHJ-OAQYLSRUSA-N 419.525 2.637 0 50 HFAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3ocnc3C)CC2)cc1 11816502 UQHFHGSNUXKDDT-UHFFFAOYSA-N 409.446 2.918 0 50 HFAA COC(=O)CCC(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 15065846 UYCVRRRTVGAZPG-HNNXBMFYSA-N 406.910 2.680 0 50 HFAA COCCCn1c(CN2CCC(Oc3cccc(C)c3)CC2)cnc1S(C)(=O)=O 55225312 LVFCEUXFXCBVSL-UHFFFAOYSA-N 421.563 2.675 0 50 HFAA Cn1c(NC2CCCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 170624333 BOIVWYZLJYDISD-UHFFFAOYSA-N 401.898 2.880 0 50 HFAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 170631068 ARFBMCCHJDKFLG-RIFZZMRRSA-N 416.518 2.768 0 50 HFAA C[C@@H]1Cc2cc(S(=O)(=O)N(C)[C@@H](C(N)=O)c3cccc(F)c3)cc(Cl)c2O1 195530530 KUIINJXCOMHQFY-QLJPJBMISA-N 412.870 2.650 0 50 HFAA CC(=O)Nc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 205563036 GEAKCGQIUGYNJD-LJQANCHMSA-N 403.504 2.895 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@H]1C 241124302 JHBRDQMEVFMCGE-SEPYTNNBSA-N 423.561 2.752 0 50 HFAA CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 474826149 SMFIBJGHNVGSQQ-IBGZPJMESA-N 419.541 2.799 0 50 HFAA C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccnc(N2CCOCC2)n1 485976976 LSOFSXCOHIXOFE-QGZVFWFLSA-N 410.522 2.743 0 50 HFAA O=C(O)c1n[nH]cc1CN1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)N1CCCC1 1704356110 VVLOJJRNXOYHAC-MSYCTHLASA-N 408.502 2.696 0 50 HFAA CCn1nccc1[C@@H](C)NS(=O)(=O)c1cnc(NCc2ccns2)c(F)c1 1875335722 DPJIJUKXNJZLJR-LLVKDONJSA-N 410.500 2.545 0 50 HFAA NC(=O)Cc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 1875340973 AZIBKYZYHRODMP-UHFFFAOYSA-N 406.482 2.953 0 50 HFAA Cn1c(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cc2cc(F)ccc21 1940195197 OBVRGOKTIAOSFS-NFBKMPQASA-N 410.445 2.838 0 50 HFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(Cl)ccc1OCCN(C)C)CC2 2325738368 XNMFBVFZZLVERZ-HNNXBMFYSA-N 405.930 2.740 0 50 HFAA COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)nn1C 2325818983 KGLRBRYUWHWQFS-UHFFFAOYSA-N 405.398 2.847 0 50 HFAA O=C(NCCOCc1ccccc1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356154896 OTYBDSHOKGRFKY-FPGHNAPASA-N 405.498 2.651 0 50 HFAA CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 4331928 JAKADISEQLFGPI-HXUWFJFHSA-N 411.889 2.997 0 50 HFAA COc1ccc(CCN2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 4538632 BSNUBAVLKQNTCU-LAHWMRIESA-N 412.530 2.932 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC(=O)Nc1ccc(C)cc1 5063522 IUULBVAYLJHAHQ-HXUWFJFHSA-N 409.442 2.813 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCCC1 10450186 SRPKYNIJHYZFOU-UHFFFAOYSA-N 407.580 2.775 0 50 HFAA COc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)cn1 12612008 GLUPJJYCXYUVPQ-NRFANRHFSA-N 402.445 2.778 0 50 HFAA Cc1nnc(SCCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn23)s1 19113469 JZKXZSUMJBIEJW-UHFFFAOYSA-N 410.956 2.731 0 50 HFAA Cc1cc(Cc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)c(=O)[nH]n1 33026629 IDPDLEVPPKRLMT-UHFFFAOYSA-N 403.891 2.801 0 50 HFAA CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239287475 CWIVIYHTEMEAKV-BXGJLEAFSA-N 422.481 2.635 0 50 HFAA CCN(CC)[C@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 239667702 BRNKSIMEXWNEMR-RBUKOAKNSA-N 423.554 2.734 0 50 HFAA CCOc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(CCOC)c2)ncn1 328603106 DTNUGQLEBLFPGO-MGPUTAFESA-N 416.526 2.518 0 50 HFAA C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)Cc1cccs1 743655749 CFYPKTLHFGJPRW-WDYCEAGBSA-N 402.516 2.815 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CCN(C(=O)c2cnccn2)CC1 952979043 ZDMHEAJUBFVWFM-UHFFFAOYSA-N 408.481 2.813 0 50 HFAA CC[C@H](C)NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 1251241523 DLUFHKPXEZJBPX-INIZCTEOSA-N 410.518 2.892 0 50 HFAA O=C1CN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C[C@H](Cc2ccccc2)N1 1772701560 NXFORZNTAIIAQV-IBGZPJMESA-N 402.454 2.797 0 50 HFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C1)CC2 1857727992 IWBQULOFAUMUMX-HSZRJFAPSA-N 406.486 2.738 0 50 HFAA COc1c(F)cc(C(=O)N[C@@H](C)CN(C)C(=O)C2(C)CC2)cc1Br 2325827268 AVRKPEPBAJLKPK-JTQLQIEISA-N 401.276 2.974 0 50 HFAA CC(=O)N[C@@H](CC(=O)NCc1cc(C)c(C(=O)O)o1)c1ccc(Br)cc1 2325851608 DSJKOFITFQUHON-HNNXBMFYSA-N 423.263 2.932 0 50 HFAA Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)[C@@H]1NC(=O)C[C@H]1C 2325861025 CPLYZNASHGGEDI-SJKOYZFVSA-N 411.296 2.852 0 50 HFAA CN=c1[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)cs1 2356154151 JPXFJVOQGSPUFH-FZCLSBEQSA-N 404.580 2.885 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 916206 SNTUIMQFLMFKJO-ZDUSSCGKSA-N 406.460 2.607 0 50 HFAA COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)CCC2=O)cc1 1051525 KJCQQVBDARIILI-UHFFFAOYSA-N 400.818 2.738 0 50 HFAA Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)c1 1074274 CWAIGSCOBXIQHD-UHFFFAOYSA-N 413.478 2.923 0 50 HFAA Cc1cc(=O)oc2cc(OCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12 1124876 HNVKGSYCHWBONS-UHFFFAOYSA-N 415.467 2.701 0 50 HFAA CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Br)cc2)n1 1183127 PGUXTMPTPRTMHK-UHFFFAOYSA-N 405.295 2.812 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccccc1 1194136 HPZGNLDRYXWECY-MTGKDYNDSA-N 420.490 2.504 0 50 HFAA Cc1ccc(SCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 4867110 XBFJFBGFFCLBPT-UHFFFAOYSA-N 407.561 2.516 0 50 HFAA COc1ccc(/C=C/C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCCCC1 6110431 GZSVNBHDIZKPRH-CSKARUKUSA-N 415.515 2.594 0 50 HFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)CC(=O)O)CC2)cc1 6731116 ZMKUGLOVVUPMOZ-CVEARBPZSA-N 410.536 2.534 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCc4cnccn4)C3)nc(C)c2c1 12191371 SHGMKJQDUXEDHI-KRWDZBQOSA-N 420.517 2.702 0 50 HFAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1)c1ccco1 12709449 JTVPOPGYJMHURZ-GFCCVEGCSA-N 400.859 2.903 0 50 HFAA CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)CC1 15007286 KNEHBLUEYHJXPL-UHFFFAOYSA-N 408.481 2.945 0 50 HFAA COCc1c(C(=O)N2CCN(C)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 19882913 SVNWGKJJVFEKFN-UHFFFAOYSA-N 417.937 2.587 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 20351649 XUQGBLOZXXSHBD-OAQYLSRUSA-N 401.551 2.597 0 50 HFAA O=C(Cn1cccn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55282248 MGROXOQHEJWFCD-IBGZPJMESA-N 421.467 2.715 0 50 HFAA O=C(NC1(CO)CCCC1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82121277 NEJJLSHWTZFPTA-JOCHJYFZSA-N 413.606 2.827 0 50 HFAA Cc1sc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(N)=O)c1-c1ccccc1 138900043 UBZWMQUOTQZPBN-RJZRQDKASA-N 400.456 2.639 0 50 HFAA COc1cccc(CCC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 169779704 GVMQATJYSIVMDB-UHFFFAOYSA-N 406.486 2.908 0 50 HFAA C[C@H](N[C@H](CO)c1ccccc1F)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 253396869 VKHUFDWODBUPNP-DQLDELGASA-N 402.466 2.875 0 50 HFAA CC[C@H](CO)NC(=O)Cc1ccc(N[C@@H](COC(C)=O)c2ccc(Cl)cn2)cc1 253415969 GHIDNVDJCXWFDS-XLIONFOSSA-N 419.909 2.881 0 50 HFAA COC(=O)c1cn(C[C@H](c2ccc(Cl)cc2)N2CCCC2)cc2c(=O)[nH]nc1-2 263587846 LXLBXTDHXSYSRR-QGZVFWFLSA-N 400.866 2.953 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1 299762245 NBMYXRSVDUYBFT-AZYCEDMHSA-N 411.590 2.806 0 50 HFAA COc1cccc(OC)c1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 475787603 DUJKMKYICLKKKK-UHFFFAOYSA-N 404.532 2.989 0 50 HFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)ccc1N1CCOCC1 1506419108 XOQYIEZKGITITQ-QFIPXVFZSA-N 403.486 2.738 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCc2nonc2C)CC1 1857686443 XAMLERVPVLKLIQ-UHFFFAOYSA-N 418.501 2.695 0 50 HFAA OCCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@@H]2CC2(F)F)CC1 1857690237 XPMHHQMOXFPAJD-KRWDZBQOSA-N 414.500 2.905 0 50 HFAA Cc1cccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1Cl 1857736996 YZHNNKHWPJQGCU-FPOVZHCZSA-N 415.921 2.958 0 50 HFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875256891 FXXZGFRWOJITSV-KXBFYZLASA-N 408.907 2.663 0 50 HFAA C[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cccn2)C1)c1ccc(-c2ccncc2)cc1 1875258885 LYOAALNIEQEKTL-UTKZUKDTSA-N 403.486 2.986 0 50 HFAA O=C(NCCn1c(O)nc2cccnc21)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819403 DERSFJDEYRASMR-UONOGXRCSA-N 401.264 2.819 0 50 HFAA COc1cc(C)c2c(c1)N(S(=O)(=O)c1cn(C)nc1C1CCCC1)[C@H](C(=O)O)C2 2325828987 XIKVPOQKABCZQQ-KRWDZBQOSA-N 419.503 2.599 0 50 HFAA COc1cccc2c1C1(CCN(S(=O)(=O)N(C)Cc3ccccc3)CC1)OCC2 2356158162 DGZKYWXFTUEQFX-UHFFFAOYSA-N 416.543 2.936 0 50 HFAA O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1 810149 FIUGIQMKVTXNHD-UHFFFAOYSA-N 401.532 2.942 0 50 HFAA COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1156521 ONHGVCUWTAZYGX-UHFFFAOYSA-N 402.472 2.513 0 50 HFAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 2879907 URKNIBFQRILCCH-QGZVFWFLSA-N 422.437 2.891 0 50 HFAA CN(c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1 5104414 AXFIAHACOWYRGP-UHFFFAOYSA-N 409.467 2.863 0 50 HFAA CC(=O)c1ccccc1C(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 11812880 PBQMJIORSTWPAV-OAHLLOKOSA-N 406.529 2.781 0 50 HFAA CCN(CC)CCN(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11814597 BWORQBZKSYCBHA-UHFFFAOYSA-N 401.551 2.880 0 50 HFAA Cc1cc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 12000624 QQZWCPOWPLRKOP-AWEZNQCLSA-N 406.533 2.689 0 50 HFAA COC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1)C(C)C 12073846 MLNSIHYLVNVTGM-FQEVSTJZSA-N 406.523 2.874 0 50 HFAA COc1cccc(CN2C[C@H](C(=O)NCCCc3scnc3C)CCC2=O)c1 14968512 NXGPSRUKYCPOBK-QGZVFWFLSA-N 401.532 2.948 0 50 HFAA COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 15746157 RATSQGMASBTWMM-YBEGLDIGSA-N 404.469 2.910 0 50 HFAA Cc1ccn2c(CN(C)C[C@H]3COCCO3)c(C(=O)N3CCCCCC3)nc2c1 19792783 PVQOCNLSHKZVJU-SFHVURJKSA-N 400.523 2.506 0 50 HFAA C[C@@H](C(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1)N1CCCC1=O 19794737 YPIQZQNOJGOMOQ-IBGZPJMESA-N 405.542 2.783 0 50 HFAA COCCn1c(CN(C)Cc2cc(C)no2)cnc1S(=O)(=O)CC1CCCCC1 23339971 JZEYOKFNYOXDEG-UHFFFAOYSA-N 424.567 2.812 0 50 HFAA CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1 35476266 RRQPPHICRDRPJX-MRXNPFEDSA-N 403.446 2.881 0 50 HFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 239403344 RVFNRVLOUHFGGZ-NJURLYQPSA-N 401.818 2.814 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N1CCc2ncnc(O)c2C1 328604611 KJRFFLGDISBZSN-UWJYYQICSA-N 419.485 2.647 0 50 HFAA CN(C)C[C@]1(CO)CCCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 952970559 DWALJRGVFVYTPW-OAQYLSRUSA-N 404.532 2.804 0 50 HFAA COCCC[C@@]1(CO)CN(Cc2nc(-c3ccc(OC)cc3)oc2C)CC[C@H]1O 1857716184 AMALKTIYBKCPKY-IRLDBZIGSA-N 404.507 2.631 0 50 HFAA COC(=O)[C@@](C)(CNC(=O)C[S@@](=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875327933 QCAMFRNCMSADAT-UZTOHYMASA-N 411.882 2.834 0 50 HFAA Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1-c1nc(-c2nc(-c3ccccc3)no2)no1 1875353216 YANVJZNKBGHQDB-UHFFFAOYSA-N 409.406 2.956 0 50 HFAA COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCCn2ccnn2)c1 2325720487 FCZBLZQTIOGROT-UHFFFAOYSA-N 409.446 2.723 0 50 HFAA COc1c(Br)cccc1S(=O)(=O)N1CCC(n2cc(C)cn2)CC1 2325820140 BEXUEZZGRDQODA-UHFFFAOYSA-N 414.325 2.988 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356136069 FTUMKEMQXNVWRG-PMAPCBKXSA-N 408.502 2.531 0 50 HFAA CC(C)N1C(=O)CO[C@H](C(=O)NCCOc2ccccc2F)[C@H]1c1ccccc1 2356169065 KDTRRWPNSFFBGN-RTWAWAEBSA-N 400.450 2.698 0 50 HFAA Cc1c(Cl)cccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 1149029 FERSOZKGNPSKHU-UHFFFAOYSA-N 410.879 2.824 0 50 HFAA O=C(N[C@@]1(C(F)(F)F)N=C(O)N(CCc2ccccc2)C1=O)c1ccc(F)cc1 2387335 HLNJRXHNPOGEOR-GOSISDBHSA-N 409.339 2.813 0 50 HFAA COCCNC(=O)c1ccccc1NC(=O)c1ccccc1I 2879732 CSBJPQYFGZUWOL-UHFFFAOYSA-N 424.238 2.920 0 50 HFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)c(C)c1 14963328 FSIILRPKAZPSQL-SFHVURJKSA-N 403.523 2.988 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1OC 19645709 HGCVLPNAUVSGQD-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA CCN1CCN(C2(C(=O)NCCc3cccc(OC)c3)Cc3ccccc3C2)CC1 20321400 RSUCWQKQCJKFBS-UHFFFAOYSA-N 407.558 2.529 0 50 HFAA O=C(Cn1cnc2ccccc21)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55089164 ZLSNOHPQPKMFCL-LJQANCHMSA-N 421.520 2.989 0 50 HFAA CC(C)Oc1cccc2c1c(NC(=O)CN1CCOC1=O)nn2CC(F)(F)F 72423777 PWZLASDOGLPDOJ-UHFFFAOYSA-N 400.357 2.777 0 50 HFAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72437261 UDBTXFDSHKOEPX-UHFFFAOYSA-N 419.485 2.536 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCO)nc2c1=O 72456966 KKIYTCLTDSSDIN-UHFFFAOYSA-N 400.866 2.505 0 50 HFAA CN(C)[C@H]1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@H]1CCC(=O)O 91416597 GYXHJYKANBICQU-DOMZBBRYSA-N 400.445 2.996 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCN(Cc4ncccc4C)CC3)n2)cc1 95347208 VEZHOQLQWQLCOI-UHFFFAOYSA-N 407.474 2.544 0 50 HFAA COc1cc(OC)cc(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)c1 253432840 ORIZPDVYMKQRNT-GOSISDBHSA-N 406.232 2.879 0 50 HFAA Cn1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C(F)F)n1 1457376891 QTXIUGGPPNKHIB-UHFFFAOYSA-N 413.431 2.867 0 50 HFAA COCCCN(CC(=O)NCCc1ccccc1OC)Cc1cccc(OC)c1 1529159424 QFCPMLHKQNMQLP-UHFFFAOYSA-N 400.519 2.901 0 50 HFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C)c(NC(=O)C4CCCC4)c3)C[C@@H]2O)n[nH]1 1704277920 WPILHZZYGWNJJU-NQIIRXRSSA-N 410.518 2.831 0 50 HFAA Cc1ccc(NC2(C(=O)N3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)CCCCC2)cc1C 1704311509 MQCTYHUYNHOJGB-OYRHEFFESA-N 400.475 2.806 0 50 HFAA CC(C)c1nccc(CN2C[C@H]3CN(C(=O)CCc4ccsc4)C[C@@]3(CO)C2)n1 1772818806 LKELJQSEJZWMQA-PGRDOPGGSA-N 414.575 2.547 0 50 HFAA O=C(O)[C@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)CC12CCOCC2 1800410129 OKUXOQVLQTVYHH-GFCCVEGCSA-N 405.344 2.877 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H](O)c3ccc(O)cc3)CCCCC2)o1 1857526309 ZHBWGJOTRFNXPX-GOSISDBHSA-N 401.459 2.801 0 50 HFAA O=S(=O)(CC1CC1)NC[C@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@]23CC[C@H]1O3 1857721325 KEQWCFBKMVYAEK-MTQWCTHYSA-N 410.967 2.649 0 50 HFAA Cc1cc(CN2CCC[C@@]3(CCc4c3nc(C(C)(C)C)[nH]c4=NCCCO)C2)n[nH]1 1875243880 CACYSRFOHMJOPB-HSZRJFAPSA-N 412.582 2.502 0 50 HFAA C[C@@H](OCC1CC1)C(=O)N1CCC([S@](C)(=O)=NC(=O)c2occ3c2CCC3)CC1 2332238662 HDCSELNFHHJQKY-ONSXPEOJSA-N 422.547 2.812 0 50 HFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4764046 WBNBQGONUNEUHO-PMACEKPBSA-N 412.486 2.982 0 50 HFAA CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccccc2)c1=O 9935450 IOYNDOGHSVOFPI-UHFFFAOYSA-N 402.248 2.584 0 50 HFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1OC 11697635 JAEGPUAZDBVPPB-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA CSc1nnc(CNC(=O)c2cccc(N3CCNC3=O)c2)n1-c1ccccc1C 12026980 DACRYCMGWSZEGW-UHFFFAOYSA-N 422.514 2.757 0 50 HFAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccco5)CC[C@@H]43)cc2n1 12333582 MEIZLZMJMIVOEU-AEFFLSMTSA-N 407.474 2.706 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1cccnc1 13494752 UBOUTPCOSMXNMS-UHFFFAOYSA-N 423.922 2.651 0 50 HFAA O=C([C@H]1CCOC1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14742320 XWJVGERRBZSGBK-PZJWPPBQSA-N 400.519 2.612 0 50 HFAA COc1cccc(CNc2ncnc3sc(C(=O)NC[C@H](C)O)c(C)c23)c1OC 15000233 SILCZNWHYFSMHO-NSHDSACASA-N 416.503 2.740 0 50 HFAA CCCCn1c(CN(C)C[C@@H]2COCCO2)cnc1S(=O)(=O)CCCC(C)C 19223859 YMOHHKRRYIOWFR-LJQANCHMSA-N 415.600 2.740 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Br)cc1 239306261 GQFZBTNIZROOPP-RIMFYDMWSA-N 415.287 2.831 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F)C(=O)OC 252463709 UBWJAGVBILKOBT-LIXBPZJASA-N 406.433 2.933 0 50 HFAA COc1ccc2[nH]cc(CCNC(=O)CC[C@@H]3NC(=O)N(c4ccccc4)C3=O)c2c1 253412753 RXJSBOQOSUJGIH-FQEVSTJZSA-N 420.469 2.740 0 50 HFAA biogenic COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)c1 408525601 HQTGGQFWNLLFAB-SFHVURJKSA-N 406.232 2.879 0 50 HFAA OC[C@@]12CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@H]1CN(Cc1ccccn1)C2 1772814334 TYBQETXBXHHEFE-CVDCTZTESA-N 411.933 2.937 0 50 HFAA CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(-c3cccc(C(N)=O)c3)no2)c1 2325736131 KQXPCUWPUAUWGW-UHFFFAOYSA-N 400.460 2.579 0 50 HFAA CC[C@H]1c2ccccc2CN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896206 SVVLDXYXHQLBCT-VQTJNVASSA-N 417.465 2.555 0 50 HFAA COCCN1CCC[C@@]2(CCCN2C(=O)CCc2nc3ccccc3s2)C1=O 2356152074 PUGWVCUKDQJZTI-OAQYLSRUSA-N 401.532 2.859 0 50 HFAA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)CC1 6725502 NZXRUMKQXLTTFN-UHFFFAOYSA-N 415.515 2.957 0 50 HFAA Cc1c(CC(=O)N[C@H](C)Cn2cncn2)c2c(n1Cc1ccccc1)CCCC2=O 12201731 PJRFDHJJAGZXRV-MRXNPFEDSA-N 405.502 2.703 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 12314540 SPGZFNMHKZQNLA-HNNXBMFYSA-N 415.490 2.828 0 50 HFAA CCOc1cc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)ccc1O 23145797 RJJDSQYOJNVHTH-FQEVSTJZSA-N 400.519 2.868 0 50 HFAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCN(C)CC1 23361075 CLXAVMHZCSEQGP-UHFFFAOYSA-N 413.909 2.998 0 50 HFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)n1 65363145 BZMALHPUKNTTRD-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Br)C1 72117204 GENGDEHBYDBFFI-LLVKDONJSA-N 412.309 2.620 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 72438043 HNUOIGPWOACQBZ-UHFFFAOYSA-N 424.505 2.592 0 50 HFAA COc1ccc(CCNc2c(F)cc(S(N)(=O)=O)cc2Br)cc1 170595682 HDCQNWWSHSQIEN-UHFFFAOYSA-N 403.273 2.899 0 50 HFAA O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 170598631 HFKFHWVSLJNZQI-UHFFFAOYSA-N 401.535 2.555 0 50 HFAA O=C1CCCN1CCCNCc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 299796648 PCJZESDGXYHWFW-UHFFFAOYSA-N 408.546 2.662 0 50 HFAA O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)Nc1ccc(F)c(N2CCCNC2=O)c1 813667274 SNQXZGVOFNDGIA-VOTSOKGWSA-N 422.420 2.755 0 50 HFAA O=C(Cn1cccn1)N1C[C@H]2CN(c3nccs3)C[C@@]2(CCc2ccccc2)C1 1772815306 GGMYJIWVAGRBCL-SIKLNZKXSA-N 407.543 2.937 0 50 HFAA N[C@H]1CCCO[C@@H]1C1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 1775988713 BYXJMBBUFNJFJJ-HNAYVOBHSA-N 424.879 2.887 0 50 HFAA CC(C)Nc1ncc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)cn1 1857709904 XJPSUJSFYBRCRL-QFIPXVFZSA-N 408.506 2.790 0 50 HFAA Cc1ccc2snc(C(=O)N3CCN(CCNC(=O)C4CCCC4)CC3)c2c1 2325707224 VBUPSWGYHUAESK-UHFFFAOYSA-N 400.548 2.669 0 50 HFAA O=C(CCC(=O)c1cccs1)NCCNC(=S)N[C@H]1CCc2ccccc21 2325826076 NWJVKTVGGWEPGX-INIZCTEOSA-N 401.557 2.979 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)cn2)o1 2761984 OPVHOGYSMJHROI-UHFFFAOYSA-N 404.220 2.946 0 50 HFAA O=C(c1ccccc1OC1CCN(Cc2ccccn2)CC1)N1CCC[C@H](CO)C1 11667788 UCGFHALQCHOWFK-IBGZPJMESA-N 409.530 2.970 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCc2noc(-c3ccccc3)n2)CCC1=O 12005396 SIUFUKSNNHNSPC-GOSISDBHSA-N 420.469 2.800 0 50 HFAA O=C(NC[C@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1ccc2c(c1)OCCO2 12047866 ZDMOEGKPFLYPBC-MRXNPFEDSA-N 407.401 2.787 0 50 HFAA COc1cc(C(=O)NCCc2nc(C)c3c(n2)CCC3)ccc1OC1CCN(C)CC1 15077978 YENZJONERHFTHN-UHFFFAOYSA-N 424.545 2.728 0 50 HFAA COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(c2ccccc2)C1 22147749 SDYVQRRHGJLQRU-SFHVURJKSA-N 403.232 2.669 0 50 HFAA COc1cc(/C=C(\NC(C)=O)C(=O)Nc2ccc(C(C)=O)cc2)ccc1OC(C)=O 22340845 SAYYJKHSOALBOY-ODLFYWEKSA-N 410.426 2.939 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1Cl 72140565 CDCHWHWZRGOQOT-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCN(c2ccc(F)cc2)C1=O 147750903 FSKJDGGZRLPFJW-INIZCTEOSA-N 415.808 2.583 0 50 HFAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]3C(=O)NC(=O)[C@H]3C[C@H]12 239309366 HLIJZHCIQBBRDH-PRWBSTDLSA-N 415.100 2.562 0 50 HFAA COC(=O)[C@@H](CCSC)NC(=O)C1CCN(c2nc(C)c3ccccc3n2)CC1 299764153 WXDFCYONQQQLNM-GOSISDBHSA-N 416.547 2.566 0 50 HFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(N(C)C)c1 328599483 SHXWEXFADVUEJU-FQEVSTJZSA-N 400.504 2.822 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cccc(N3CCNC3=O)c2)CC1 1506418145 UZXHMLNNLYCKIL-UHFFFAOYSA-N 421.545 2.780 0 50 HFAA Cc1ccncc1C(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3Cl)C[C@H]2C1 1875322482 UYTSDOQMYIINBE-LSDHHAIUSA-N 401.898 2.699 0 50 HFAA CCOc1cccc2cc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)c(=O)oc12 2749426 SIWGJTJGAJWJLM-UHFFFAOYSA-N 422.437 2.916 0 50 HFAA CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1 4058371 MOXSXSBAARTUGT-UHFFFAOYSA-N 416.532 2.596 0 50 HFAA COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1 4840293 KWBUTKJCQIYIJQ-OAHLLOKOSA-N 404.488 2.743 0 50 HFAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CC[C@@H](N(CC)CC)C2)c1=O 12055989 GCVUQKGANWPOGV-QGZVFWFLSA-N 404.555 2.515 0 50 HFAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CC[C@H](N(CC)CC)C2)c1=O 12055992 GCVUQKGANWPOGV-KRWDZBQOSA-N 404.555 2.515 0 50 HFAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 12158491 YXAWNALQSURKRS-OPAMFIHVSA-N 404.482 2.650 0 50 HFAA CCc1nc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)cs1 12315137 IUSVKPCGOSXSEX-INIZCTEOSA-N 401.532 2.812 0 50 HFAA Cc1nc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)cs1 15062780 BAZSFEGZWCGYIK-NRFANRHFSA-N 422.554 2.954 0 50 HFAA COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)c2ccccc2C)n1 20418407 QELPIIMDUWSOIC-UHFFFAOYSA-N 414.849 2.867 0 50 HFAA CC(=O)O[C@]12CCC(C(=O)O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 28966291 ZPSQWDVEMDWXPJ-HPHAYBORSA-N 418.442 2.782 0 50 HFAA biogenic,in-vitro CSc1ccccc1OCc1cc(C(=O)NCC(C)(C)N2CCOCC2)no1 36383499 YDYLYGFSWXIZCV-UHFFFAOYSA-N 405.520 2.816 0 50 HFAA CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 67603454 SNSIHERVPWOBOM-UHFFFAOYSA-N 419.522 2.616 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1 206251778 AJGFANDJFZIFSN-LJQANCHMSA-N 423.469 2.744 0 50 HFAA CC(C)n1c(CNC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)nc2ccccc21 252570401 WRFPGOOBBMDKEP-GOSISDBHSA-N 419.485 2.949 0 50 HFAA Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)Nc1ccc(C(N)=O)cc1 253496631 ZYWGTJVJAGEBRV-UHFFFAOYSA-N 407.405 2.706 0 50 HFAA O=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccc(O)cc1 409413576 CGOBNYNLZUEMPZ-LJQANCHMSA-N 403.438 2.719 0 50 HFAA CN(c1ccc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc1)S(C)(=O)=O 828157982 IYBWAXZJCREMQN-MRXNPFEDSA-N 407.561 2.538 0 50 HFAA COC(=O)CCc1cncc(NC(=O)[C@H](N)c2cc(Br)ccc2OC)c1 952850557 YPVXVNHRPYHOKX-QGZVFWFLSA-N 422.279 2.597 0 50 HFAA OCCOc1cccc(CN2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@]3(CO)C2)c1 1772815419 QILGEQAZXAAONV-NFBKMPQASA-N 416.949 2.637 0 50 HFAA COCc1nc([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n(-c2ccc(F)cc2)n1 1875341151 IGJVTKFJELPKLI-AWEZNQCLSA-N 424.432 2.845 0 50 HFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2ccccc2-n2cccn2)CCCCN1 2100533143 BTBJFJIQABYGDF-FQEVSTJZSA-N 423.561 2.859 0 50 HFAA CCn1c(C)ccc(C(=O)Nc2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]n2)c1=O 2100547843 ONTVKFUBRFKHSJ-UHFFFAOYSA-N 412.446 2.845 0 50 HFAA CCc1c(NC(=O)C[C@@H]2Cc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C 2325861048 CYWFCOJAEPSRCE-INIZCTEOSA-N 404.470 2.878 0 50 HFAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2ccsc23)CN1Cc1cccnc1 2356153569 MHBUTBQTAJZLET-SFHVURJKSA-N 411.527 2.582 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(S(=O)(=O)c3ccccc3)CC1)OCC2 2356155021 UNAKJWKIIVHLLO-UHFFFAOYSA-N 403.500 2.957 0 50 HFAA CCOC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)sc(C(C)=O)c1C 2870401 GSTURHGJOHDKFK-UHFFFAOYSA-N 413.455 2.784 0 50 HFAA CCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCc2ccccc2)cc1 7649273 FMERHJRRMBMOHG-FQEVSTJZSA-N 410.470 2.550 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc4c(c3)OCO4)C(C)=O)C2=O)cc1 100560758 JYPXGECOYCCNQX-LJQANCHMSA-N 424.453 2.885 0 50 HFAA CN1CCC(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 67338922 KFOUDKUYDWKBEC-UHFFFAOYSA-N 421.950 2.989 0 50 HFAA O=C(NCCO)c1cccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 434279455 ZJJXGGWHIQINBB-QGZVFWFLSA-N 407.392 2.645 0 50 HFAA O=C(c1ccco1)N1CCC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C1 826567364 RDCSNQBCONVQBO-AWEZNQCLSA-N 400.859 2.796 0 50 HFAA Cn1c(CNc2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)nc2ccccc21 828710981 UIXUUMPSQYYBKT-FQEVSTJZSA-N 421.545 2.762 0 50 HFAA COc1ccc(C(=O)N2CCC(C(=O)NCc3csc(C)n3)CC2)cc1OC 670468783 ZQMDAYBLKZRRJQ-UHFFFAOYSA-N 403.504 2.637 0 50 HFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(CCCc4ccccc4)nn23)C1 951726883 NFWONUUYIZKEIU-OAHLLOKOSA-N 405.549 2.500 0 50 HFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC2(CN3CCN(C)CC3)CC2)c1C 1506419306 OAYCMGGCCPBLRN-UHFFFAOYSA-N 407.624 2.907 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCO2 12072714 WYSJYTONRQMEFH-UHFFFAOYSA-N 408.414 2.934 0 50 HFAA COc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2 169764156 FLDHDQBNLDKYIP-UHFFFAOYSA-N 412.465 2.820 0 50 HFAA Cc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 169772828 SIIOYJXGYOFPID-QGZVFWFLSA-N 401.470 2.995 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2ccncc2F)CC1 1857697869 AGCBHNHLVPAFPH-GOSISDBHSA-N 403.429 2.635 0 50 HFAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 444832989 DEWCFECUOWYQSH-OAHLLOKOSA-N 417.579 3.173 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@H]3CCC[C@H](C(=O)O)C3)nn2)s1 1875324550 CPSDARGIJGKJCP-HOCLYGCPSA-N 405.524 2.920 0 50 HFAA CN(CCCCN(C)Cc1ccc2c(c1)nnn2C)Cc1ccc2c(c1)nnn2C 2325720883 AONFSGTUQGMLSX-UHFFFAOYSA-N 406.538 2.594 0 50 HFAA COc1cncc(COC(=O)CCNS(=O)(=O)c2cc(C)c(Cl)c(C)c2)c1 2325732489 VGXGSJLGWSJRMV-UHFFFAOYSA-N 412.895 2.772 0 50 HFAA COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2cccs2)cc1 9042077 SLYGIMVQTKZTAD-HXUWFJFHSA-N 423.494 2.895 0 50 HFAA O=C(NCCCn1ccc2ccccc21)c1cn(C[C@H]2COc3ccccc3O2)nn1 11665473 KPSGDUKWIJDRTP-SFHVURJKSA-N 417.469 2.893 0 50 HFAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2ccc(OC)cc2)c1=O 12149157 BJOIRCUTJARDHW-UHFFFAOYSA-N 411.502 2.694 0 50 HFAA COCCN1CCC(CN(Cc2nc3ccccc3n2C)C[C@H]2CCCO2)CC1 12199092 KZQAFJUPLHOSAK-HXUWFJFHSA-N 400.567 2.913 0 50 HFAA CN(C(=O)c1n[nH]c(=O)c2ccccc12)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12302114 YIVAJIZCHWSGAT-GOSISDBHSA-N 402.498 2.627 0 50 HFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(CCc3ccccc3)=NO2)CC1 14989796 DTIOKBFTVAJYGF-QFIPXVFZSA-N 421.497 2.757 0 50 HFAA CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CCNCCOc2ccc(F)cc2)CC1 15072033 ZMOJGKCAPPSGSO-GOSISDBHSA-N 421.513 2.796 0 50 HFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 19418974 AKNNEGZIBPJZJG-MSOLQXFVSA-N 413.426 2.882 0 50 HFAA endogenous,investigational CCn1ncc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1C 20045079 UKVPVZMFLYXMPV-UHFFFAOYSA-N 400.907 2.510 0 50 HFAA O=C(Cn1nc(-c2cccs2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 49549203 HWGLBHVXKJZDIZ-UHFFFAOYSA-N 408.527 2.753 0 50 HFAA COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1 64859188 HYOHKXGCEWCBKE-MYAKXJQBSA-N 404.503 2.630 0 50 HFAA in-vitro Cc1cc(CN(C)C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)on1 82161517 ILIIENABNJGHAX-FQEVSTJZSA-N 411.550 2.713 0 50 HFAA O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100075207 UHLFKXNYBAAKTC-KODHJQJWSA-N 402.406 2.949 0 50 HFAA CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 238997200 AANKJHKULDQCOO-MGBSGCIJSA-N 402.495 2.651 0 50 HFAA CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](Oc2ccc(C(C)(C)C)cc2)OC[C@H]1OC(C)=O 245174513 YQHDZSXCUIGEGY-FUMNGEBKSA-N 408.447 2.514 0 50 HFAA Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@@H]4C[C@H]4c4cnn(C)c4)CC3)n2)cc1 252452623 RPJYOFRAASVUOI-FFZOFVMBSA-N 420.517 2.787 0 50 HFAA COC(=O)c1cn([C@@H](CCSC)c2nc3ccccc3n2C)cc2c(=O)[nH]nc1-2 263588290 RGTJKYKWEGVUTA-INIZCTEOSA-N 411.487 2.692 0 50 HFAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN2CCC[C@]3(CCC(=O)N(C)C3)C2)c1 952868415 NYLBWBNSDMEIGX-RUZDIDTESA-N 412.622 2.885 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cc(C(C)C)nc(N)n2)C3)cc1 1506417440 IKHWIEFBGDCDOX-UHFFFAOYSA-N 404.474 2.728 0 50 HFAA O=C(N(CCO)Cc1ncc[nH]1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 1704315227 XJVUDMSMKBXJFA-UHFFFAOYSA-N 418.541 2.965 0 50 HFAA CCCn1nc(CC(N)=O)nc1[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857666378 CUYBBRZNGOKEFJ-LBPRGKRZSA-N 402.886 2.895 0 50 HFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(N4C(=O)CN(C)C4=O)c3)c2n1 1857694807 JHJXNAZLRYIXKC-UHFFFAOYSA-N 401.430 2.597 0 50 HFAA O=C1CN(C(=O)N2CCCN(CC(F)F)CC2)c2ccc(Br)cc2N1 2325747445 RWSHYIXYJJCDJW-UHFFFAOYSA-N 417.254 2.600 0 50 HFAA Cc1oc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1CO 2325829905 VVDYEJPLDXWZDR-NBOOPKSLSA-N 416.424 2.588 0 50 HFAA Cn1ccnc1Sc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1 872496 LWCMNXASBGEYDA-UHFFFAOYSA-N 403.899 2.990 0 50 HFAA CCn1cc(NC(=O)c2cc(Br)c(Br)s2)c(C(N)=O)n1 2781860 BZFSNINWXNXMIA-UHFFFAOYSA-N 422.102 2.841 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F 4413965 QZCAGCBOMGWNPA-UHFFFAOYSA-N 415.446 2.960 0 50 HFAA CC1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)CN3CCC(C)CC3)cc2)CC1 4714305 PQWUJLKTIKKLKM-VXKWHMMOSA-N 420.594 2.630 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4760588 WXGXGPOWUHQDBK-UXPWSPDFSA-N 411.502 2.540 0 50 HFAA COc1ccc(OC)c(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)c1 11880308 YPGIREGJJDSYOX-GOSISDBHSA-N 423.444 2.962 0 50 HFAA COC(=O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 11980094 DZQWUIQFEJLZDC-UHFFFAOYSA-N 417.469 2.598 0 50 HFAA COc1ccccc1[C@H]1CN(CC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 14993914 LBXPOJSNNAAZMS-JOCHJYFZSA-N 406.486 2.713 0 50 HFAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 16489439 ZQQLALWGRJSMCU-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA CN1Cc2ccccc2C[C@@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn12 20364080 BHRNUPTYGZIEPY-HXUWFJFHSA-N 403.530 2.717 0 50 HFAA Cc1nn(CC(=O)NCc2cnn(C)c2C)c2nc(C3CC3)cc(C(F)(F)F)c12 20602433 DLGLPRMTHBGDFO-UHFFFAOYSA-N 406.412 2.994 0 50 HFAA CC(C)NC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95512569 JCWUEQCILDNLFP-NRFANRHFSA-N 400.567 2.987 0 50 HFAA CC(=O)Oc1ccccc1C(=O)NCc1nnc2ccc(-c3ccc(C)cc3)nn12 263618692 UZSXGIWXUTUSPJ-UHFFFAOYSA-N 401.426 2.955 0 50 HFAA CCCCS(=O)(=O)N1CCC[C@H](CNC(=O)C2=Cc3ccccc3OC=C2)C1 822880420 MJRYFILHBDWTSW-QGZVFWFLSA-N 404.532 2.934 0 50 HFAA Cc1nc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cs1 952983907 XPJQXHMDWALCHN-UHFFFAOYSA-N 415.906 2.613 0 50 HFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cccc(S(C)(=O)=O)c1)CC2 1857711641 JAUMIYCUUSLHAQ-UHFFFAOYSA-N 409.511 2.732 0 50 HFAA COC1(C(=O)N[C@@H]2CCCc3ccccc32)CCN(C(=O)C2CCOCC2)CC1 1857731759 ZLRBHJWFRFOYSF-HXUWFJFHSA-N 400.519 2.614 0 50 HFAA CN1CCc2nc[nH]c(=NC[C@@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)c2C1 1875260047 ZRMPVPOIPIOTEX-GOSISDBHSA-N 411.550 2.777 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3CCC4(CC3)OCCc3sccc34)ccc2N1 2356142650 BFIZFJNLRMISOZ-UHFFFAOYSA-N 418.540 2.886 0 50 HFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cc3c(s1)CCOC31CCNCC1)CCC2 2356160425 RERGRFBUUROFPT-OAHLLOKOSA-N 400.548 2.749 0 50 HFAA Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCc2ccccc2)cc1 4629464 JNNWWIXPXJLSJC-UHFFFAOYSA-N 413.481 2.905 0 50 HFAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC(N)=O)cc1 6659292 QYCPSDXZLSNJHG-HXUWFJFHSA-N 406.442 2.752 0 50 HFAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccs3)C2)c1 9410680 JKNHIEAHHYORFM-HNNXBMFYSA-N 421.500 2.662 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1C(=O)O 9434765 VHFRIKPZXSWVSO-UHFFFAOYSA-N 417.215 2.772 0 50 HFAA O=C(CCN1CCCO1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 15077913 BGINSQFDJUHPOY-KRWDZBQOSA-N 419.953 2.754 0 50 HFAA Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)n1 19771261 WNUPPTYWQUROJE-LJQANCHMSA-N 418.545 2.850 0 50 HFAA CN(CCN1CCOCC1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 20149153 HCAFJEMXNXVZEU-UHFFFAOYSA-N 419.595 2.566 0 50 HFAA COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)c2cccc(F)c2)n1 20259392 GXNNYIVRPQXLEI-UHFFFAOYSA-N 418.812 2.698 0 50 HFAA CCn1ccc(-c2cc(C(=O)O)c3c(=O)nc(S)n(-c4cccc(C)c4)c3n2)n1 20605714 CPDPUDOGQFJFST-UHFFFAOYSA-N 407.455 2.959 0 50 HFAA Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCCN2CCOCC2)cc1 33352131 YNKDGXMYPCVFLF-CAPFRKAQSA-N 413.543 2.666 0 50 HFAA Cc1cccc(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 82138579 NBAZEBQTIGAXEM-FQEVSTJZSA-N 407.562 2.778 0 50 HFAA CC(=O)NCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1nc2ccccc2n1C 95517359 KIQOSUIBYJHCFC-JOCHJYFZSA-N 401.470 2.665 0 50 HFAA CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 170636955 HNXMRFFSBDYNOJ-FCJILENJSA-N 419.566 2.785 0 50 HFAA COc1ccc(OCc2nnc(N3CCO[C@H](c4cccc(OC)c4)C3)n2C)cc1 239352372 ABYNQCJUFARILF-FQEVSTJZSA-N 410.474 2.989 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 241171095 KECRBQSLRSSVBS-ZWKOTPCHSA-N 403.504 2.638 0 50 HFAA CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 249703407 ZTGJOFZDWOHVRU-WJFTUGDTSA-N 407.857 2.917 0 50 HFAA Cc1nnn(-c2ccc(NC(=O)[C@@H](Sc3nnc(N)s3)c3ccccc3)cc2)n1 252480246 BYZMKSIKXGLNRI-HNNXBMFYSA-N 424.515 2.877 0 50 HFAA O=C(c1ccccn1)N1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@@H](O)C1 1565512800 BGGRDVABWMFTJO-JSGCOSHPSA-N 400.788 2.836 0 50 HFAA Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2scnc2C)C(=O)CCO3)cn1 1704331089 KKIMYMRQYJPIIK-UHFFFAOYSA-N 414.531 2.579 0 50 HFAA CCc1ccc(CN2C[C@H]3CN(c4nc(C(=O)O)co4)C[C@]3(CCC(=O)O)C2)s1 1772807759 ABIGRMBTXNWZSN-RBZFPXEDSA-N 419.503 2.800 0 50 HFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 1857705544 LTNUSRHSSHHXPU-UHFFFAOYSA-N 411.483 2.956 0 50 HFAA O=C(CN1CCOC1=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857707072 YDXOUBGBYXXSHC-HXUWFJFHSA-N 415.534 2.537 0 50 HFAA C[S@@](=O)(CC1CC(N)C1)=NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 2325850885 KMFZHGYBFKSSGR-JXCSFBDMSA-N 406.577 2.874 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC1)OCC2 2356157305 JMCGMJVPFDIRPF-UHFFFAOYSA-N 415.511 2.803 0 50 HFAA COc1cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc(OC)c1OC 825411 CTRXKBFJIBXEHN-UHFFFAOYSA-N 417.483 2.939 0 50 HFAA CCCc1cc2c(=O)n(NC(=O)Cn3ncc(Br)c3C)c(C)nc2s1 2781485 ATXCYWXYAFYFEM-UHFFFAOYSA-N 424.324 2.757 0 50 HFAA C[C@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 3874551 RWQKHEORZBHNRI-BONVTDFDSA-N 403.818 2.573 0 50 HFAA biogenic,in-vitro CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 6726379 WIVDOOSKDYWCFM-UHFFFAOYSA-N 403.504 2.796 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)CC2=O)cc1 9668968 DJVKKVGGKPJCOU-LJQANCHMSA-N 420.513 2.929 0 50 HFAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11819631 ZAQRVDJPMNUXNV-OAHLLOKOSA-N 417.462 2.996 0 50 HFAA O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 16606429 YYPRRKQVAGTDNQ-UHFFFAOYSA-N 421.331 2.884 0 50 HFAA O=C(NCC1(N2CCOCC2)CCCC1)c1cc(COc2cccc(F)c2)[nH]n1 19770345 DVKYEZNYWIAASX-UHFFFAOYSA-N 402.470 2.503 0 50 HFAA O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 35800919 LRMVHVDICYIPOD-HNNXBMFYSA-N 419.831 2.621 0 50 HFAA CN(CCc1ccccc1)CCN1CC2(CCN([C@@H]3CCCOC3)CC2)OC1=O 72422123 CFGINOSGGXPPTC-OAQYLSRUSA-N 401.551 2.627 0 50 HFAA CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1ccccc1NS(C)(=O)=O 170601381 YOCXJUREUWZGHB-AWEZNQCLSA-N 411.524 2.578 0 50 HFAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 238997201 AANKJHKULDQCOO-WRFANHODSA-N 402.495 2.651 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239046905 FYZPPMGIDXBSOF-YSBDVRHUSA-N 407.466 2.551 0 50 HFAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3csc(Br)c3)[C@@H]2C1 240934425 JBZITCOSHILAKA-NEPJUHHUSA-N 417.325 2.971 0 50 HFAA CCCc1c(C(=O)N2CCC[C@H](c3n[nH]cc3C(=N)O)C2)[nH]c(C)c1C(=O)OC 328602364 BJTVKMRAWVFJLU-LBPRGKRZSA-N 401.467 2.688 0 50 HFAA CCn1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(=O)c2ccc(C)nc21 670452037 VROMMJMWPFLURJ-ZDUSSCGKSA-N 404.430 2.661 0 50 HFAA COc1ccc([C@@H](CC(=O)NCCn2ccnc2)c2cc3c(cc2O)OCO3)cc1 824654050 DXQIMFJTZLRZHC-QGZVFWFLSA-N 409.442 2.664 0 50 HFAA biogenic COc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C4CCC4)C[C@@]3(CN(C)C)C2)cc1Cl 1772707546 UYLJYACEUHSCIA-JTSKRJEESA-N 419.953 2.611 0 50 HFAA O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCC[C@H](NC(=O)CCO)C1 1857679574 NHNYBIWDPOYHTP-WBVHZDCISA-N 401.532 2.526 0 50 HFAA CCOc1cc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1O 1857693830 OIUIOZDBZYIPOA-MRXNPFEDSA-N 416.503 2.817 0 50 HFAA COc1cc2nc(CN3CCc4cc5c(cc4C3)OCCO5)nc(O)c2cc1OC 1875257961 JPYYIBYZQMZIQC-UHFFFAOYSA-N 409.442 2.682 0 50 HFAA COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 1065525 FSRYNQJVMLPMEM-NSHDSACASA-N 413.293 2.763 0 50 HFAA CCNc1nc(N[C@@H](C)CC)nc(Oc2ccc(C(=O)OCC(=O)OC)cc2)n1 1131432 MBGGAZJUYGJBAD-LBPRGKRZSA-N 403.439 2.636 0 50 HFAA CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 2072328 QTWBRZYWKLPHOI-QGZVFWFLSA-N 404.532 2.843 0 50 HFAA CCc1ccc(OCCCNS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1 2877544 OZHBXYLFOLKOAP-SFHVURJKSA-N 402.516 2.600 0 50 HFAA COc1ccc2c(c1)CC[C@@H](C)N2S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 4195776 GZUBFRUKQBOUMJ-RHSMWYFYSA-N 400.500 2.829 0 50 HFAA CCCCN(C)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 4758440 NKOIDPKTHTZBQP-UHFFFAOYSA-N 407.517 2.668 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 4996558 MXDUXOYMQRHQOL-JOCHJYFZSA-N 407.514 2.971 0 50 HFAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)NCCN2CCCCC2)no1 12594495 RRNUUPVEDJJKRD-UHFFFAOYSA-N 401.463 2.681 0 50 HFAA Cn1cc(CCNC(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cn1 39515581 XRPSIDFOQBIWPE-JOCHJYFZSA-N 408.477 2.854 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc(C)n2)n1 67630169 MHLNXGSQZLCFQI-UHFFFAOYSA-N 412.444 2.828 0 50 HFAA Cc1ccc(C)c(CC(=O)N2CCn3nc(CN(C)Cc4cnccn4)cc3C2)c1 72423679 OFXCSPUGEODESP-UHFFFAOYSA-N 404.518 2.507 0 50 HFAA Cc1nccnc1N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82096175 MREDYNSHDMYAHB-NRFANRHFSA-N 407.562 2.825 0 50 HFAA CC(C)(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82107341 SWWGIDVNWLRVDL-IBGZPJMESA-N 400.567 2.837 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 82230537 ZNBYBKUBXFQNPF-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169619868 CIVPYIYPPGXZPD-YUMYIRISSA-N 418.493 2.574 0 50 HFAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCN(C(=O)C2CC2)C1 252570833 XJGKFGBBUBQQJU-KKLQWCBXSA-N 402.510 2.664 0 50 HFAA C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)/C=C/c2nc3ccccc3o2)C1=O 253421761 QECDZNXMLYLAAA-VDZCTEQFSA-N 404.426 2.816 0 50 HFAA CC[C@H]1CN(CCNC(=O)CCc2c(C)n[nH]c2C)Cc2cc(OC)ccc2O1 299787970 UJQNPSJNWHCZON-SFHVURJKSA-N 400.523 2.757 0 50 HFAA CN(C(=O)[C@@H]1CCN(c2nc3ccccc3nc2N2CCOCC2)C1)c1ccccc1 485412181 ROBJBJVYENGMND-GOSISDBHSA-N 417.513 2.956 0 50 HFAA COc1ccc([C@H](CC(=O)NCCn2ccnc2)c2cc3c(cc2O)OCO3)cc1 824654049 DXQIMFJTZLRZHC-KRWDZBQOSA-N 409.442 2.664 0 50 HFAA biogenic Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(O)(c4cccnc4)CC3)CC2)cc1 825168332 BLNPWMMKJCSQBN-UHFFFAOYSA-N 407.514 2.752 0 50 HFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nc(N)nc3c2CCCC3)cc1 952966002 FVBOGMLIILLFPN-SFHVURJKSA-N 410.518 2.810 0 50 HFAA Cn1c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc2cc(F)ccc21 952986019 CSNWPRSPPXZPKP-UHFFFAOYSA-N 411.433 2.807 0 50 HFAA CC1(C)CN(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CCc2ccccc21 1226089932 UMZKCROHBHKOAZ-XMMPIXPASA-N 420.513 2.787 0 50 HFAA COc1ccccc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857681892 DDYLLCREWVOPCU-GOTSBHOMSA-N 410.514 2.734 0 50 HFAA O=C(NCC[C@H](O)c1ccc(Br)cc1)c1ccc2[nH]nc(C(=O)O)c2c1 1875301872 ULLLXHHOAIRUGE-HNNXBMFYSA-N 418.247 2.877 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)C1 1875371676 IQXJNOQPGBSZTA-GJZGRUSLSA-N 403.910 2.673 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC(Cc4ccc(O)nc4)CC3)cn12 2100555298 PPOGBOUEKGUSEY-UHFFFAOYSA-N 416.485 2.930 0 50 HFAA CCC(CC)n1nc(C(=O)N2CC[C@@H]3CN(CC(=O)NCC(C)(C)C)C[C@@H]32)cc1C 2325794346 ZAJQYVKDDMIKSI-XLIONFOSSA-N 417.598 2.861 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 2325889560 WKKXGEMIHORLAX-ZFWWWQNUSA-N 407.312 2.717 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)nc(C)n1 1259641 VKLBCEFCILAEHW-UHFFFAOYSA-N 412.471 2.912 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 1424326 GITQNPFLXSOQIP-UHFFFAOYSA-N 408.248 2.971 0 50 HFAA Cc1nn(Cc2noc(C(=O)NCc3cccc(F)c3)n2)c(C)c1Br 4726711 ZRTAKVJJMATIHY-UHFFFAOYSA-N 408.231 2.763 0 50 HFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccncc1 6017562 NOVICVVCGIXTKW-UHFFFAOYSA-N 417.531 2.696 0 50 HFAA CCc1cc(C(=O)NC[C@H]2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)n(C)n1 11880754 CXRPMVHXNPWRGB-OAHLLOKOSA-N 409.465 2.929 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4snnc4C)C3)C2)c1OC 12581548 GAVJICDNADQKTL-OAQYLSRUSA-N 416.547 2.992 0 50 HFAA Cc1ccsc1C(=O)N1CCC(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 13593121 FLEUMRKSQWTZAJ-LJQANCHMSA-N 419.591 2.668 0 50 HFAA COc1cccc(CCN[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 14535397 BTBVPLDZYOOPDJ-SFHVURJKSA-N 422.529 2.984 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O 14744287 PMJSJOVBXKPXAF-UHFFFAOYSA-N 423.513 2.838 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17093214 LXLXHBIYWITRBZ-RTBURBONSA-N 422.547 2.534 0 50 HFAA O=C1C[C@H](C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)c2ccccc21 20783547 UPZPGHMZPPTFRB-NRFANRHFSA-N 406.482 2.610 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 20916440 HTZNREHTAVBMFI-MRXNPFEDSA-N 409.914 2.807 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cc2cccc(C)c2)CCO3)CC1 20994419 CPMNWYDRNLHCKH-UHFFFAOYSA-N 421.541 2.623 0 50 HFAA COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 44918149 NGJQUGKEPRYOQH-UHFFFAOYSA-N 403.438 2.711 0 50 HFAA COCCn1c(CN2CCC[C@H](OC)C2)cnc1S(=O)(=O)C1CCCCCC1 55415075 RAXSLSKQIFLCOP-SFHVURJKSA-N 413.584 2.637 0 50 HFAA O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)N1CCN(c2ccccc2)CC1 169765517 XXOGSWDLTSELIK-UHFFFAOYSA-N 416.525 2.937 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 225404707 JUXFBGRIZJOUGA-DNVCBOLYSA-N 403.504 2.897 0 50 HFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCS[C@H]1c1ccccc1F)C2=O 241965489 UTGMVTRFOSSCHM-VOWSPCBNSA-N 405.495 2.900 0 50 HFAA C[C@@H](NC(=O)CC[C@H]1N=C(O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C 252497333 QDYOUUWZYRYOQN-RHSMWYFYSA-N 405.458 2.860 0 50 HFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)on1 952970394 KOTLFWIOSZJKEA-SFHVURJKSA-N 407.536 2.690 0 50 HFAA CN(C)CCN(Cc1cccc(OCCCCN2CCOCC2)c1)C[C@@H]1CCCO1 1506403068 QKGABACWVCWXCK-DEOSSOPVSA-N 419.610 2.720 0 50 HFAA CO[C@@H]1CC[C@@H]2NC[C@H](/C=C3\C(=O)N(CCCN(C)C)[C@@H]4CC[C@H](F)C[C@H]34)[C@H]2C1 1775953790 NGQQMXCGOOHLQB-KAPWTYJMSA-N 407.574 2.617 0 50 HFAA CC(C)=CCN1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1875241217 QQZOQSXRPACNQJ-QYXIYQDXSA-N 422.573 2.501 0 50 HFAA Cc1nc2nc(C(=O)N3CCCc4c(NC(N)=O)cccc43)cc(C(C)(C)C)n2n1 1875252249 VBIANIMDXYIZJM-UHFFFAOYSA-N 407.478 2.814 0 50 HFAA Cc1ccc([C@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)CCO2)o1 1875253137 WIQKCELZNHKYFG-NVXWUHKLSA-N 424.544 2.650 0 50 HFAA CNC(=O)Cc1nc(-c2cccc3ncsc23)n(-c2ccc3c(c2)OCCO3)n1 2100477224 SKDSNFPCDWBALQ-UHFFFAOYSA-N 407.455 2.604 0 50 HFAA COc1c[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3CCC(C)C)cc1=O 2356159393 YMIMBDIQHBFCQP-GJYPPUQNSA-N 411.502 2.782 0 50 HFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nn1c(S)nc2ccccc2c1=O 2792347 PRMMREYVZOCXRN-UHFFFAOYSA-N 417.800 2.633 0 50 HFAA CN1C(=O)C[C@@](CC(=O)N2CCC(c3ccncc3)CC2)(c2ccccc2F)C1=O 11971664 RRQMFKOFTSIPTN-HSZRJFAPSA-N 409.461 2.644 0 50 HFAA CC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2CCSCC2)c1 12206129 YGRWRWPIYIUQFM-UHFFFAOYSA-N 405.564 2.756 0 50 HFAA CC[C@@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 12210756 GBFTYYBQUVQCRQ-RDTXWAMCSA-N 415.511 2.792 0 50 HFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(Cc3cccc4cccnc34)C[C@H]12 14746490 OHDJKDKDJOUBIA-LEWJYISDSA-N 406.530 2.716 0 50 HFAA COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C3CC3)n[nH]2)C1 14985157 ZWWNSXDEHIYXKZ-WIYYLYMNSA-N 422.529 2.992 0 50 HFAA COCCN(C)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82138577 LFLWENCGVXTOHM-KRWDZBQOSA-N 400.523 2.613 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCC(n2cc(-c3nc(C)no3)nn2)CC1 169777299 VCZLYWRZEBZAQS-UHFFFAOYSA-N 402.842 2.776 0 50 HFAA COc1ccc(C(=O)N2CCC[C@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1F 169780957 WTCIPRQWYKPVPI-AWEZNQCLSA-N 412.425 2.831 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@H](c3cc(OC)ccc3OC)C2)c1 170615378 KTJBMTVKTAALSQ-IBGZPJMESA-N 420.487 2.832 0 50 HFAA CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)nc1)c1cccc(F)c1 225832812 QHXCJVMKMBIUGZ-AWEZNQCLSA-N 402.289 2.564 0 50 HFAA CC(C)Cc1nc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)n[nH]1 252536075 HOFGTINBPYJZFE-CQSZACIVSA-N 418.885 2.700 0 50 HFAA COc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1OCC(=O)N1CCOCC1 535785547 WEWDZTVUAPMNHU-HXUWFJFHSA-N 411.502 2.665 0 50 HFAA CCc1ccc(CN2CCOC3(CCN(C(=O)Cn4nc(C)cc4C)CC3)C2)o1 823527592 KBMXUKWTTNJMBT-UHFFFAOYSA-N 400.523 2.549 0 50 HFAA COc1ccccc1N1CCN(C(=O)NCC(=O)Nc2ccc3cc[nH]c3c2)CC1 886024620 SLKUTRLPTCUDSZ-UHFFFAOYSA-N 407.474 2.647 0 50 HFAA COc1nc2ccccc2nc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 952869116 XMONQGCBHRDFSC-CYBMUJFWSA-N 406.442 2.953 0 50 HFAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2ccccc2C(F)(F)F)N1 952871984 FWLYKTVKQWYIEF-AWEZNQCLSA-N 413.421 2.570 0 50 HFAA CCN1CCN(Cc2cc(C)cc(CN3CCC[C@](CC)(C(N)=O)C3)c2C)CC1 1506425811 NCHXIIQOZUMSIV-DEOSSOPVSA-N 400.611 2.918 0 50 HFAA Cc1nc(N2CCN(C)[C@@H](C)C2)c2c(n1)C1(CC2)CCN(Cc2cscn2)CC1 1857686003 DKYLGLWOTXRPDO-INIZCTEOSA-N 412.607 2.862 0 50 HFAA C[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC32CCN(CC(=O)O)CC2)CCO1 1857690579 OEIOUMGSGXKIIS-KRWDZBQOSA-N 422.529 2.733 0 50 HFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4ccnc(C)n4)C[C@]34CC[C@H]2O4)c(C)c1 1857726968 IZDOEMISUBCAMJ-DZCCDHAISA-N 408.502 2.516 0 50 HFAA C=CC(=O)NCCC(=O)N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1875372178 YOXOOGISLXVMPX-JEOXALJRSA-N 409.845 2.797 0 50 HFAA Cc1cc(C)n2nc(C(=O)N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)cc2n1 1940195253 RDFNUBPJZHUBAB-DYESRHJHSA-N 401.470 2.882 0 50 HFAA O=C(c1ncc[nH]1)N1CC[C@]2(C1)C(=O)N(CCOc1ccccc1)c1ccccc12 2100478090 QNNQRDASVGQSKW-HSZRJFAPSA-N 402.454 2.619 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCCC1 800603 FPWPBNOVFKUKOZ-UHFFFAOYSA-N 402.516 2.599 0 50 HFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(C)c(C)c1Br 2763200 BWETVTMIQAJVMB-UHFFFAOYSA-N 412.240 2.547 0 50 HFAA Cn1c(=O)n(C)c2cc(NC(=O)c3cccc(I)c3)ccc21 4808378 LVHUFJWZXWBHRX-UHFFFAOYSA-N 407.211 2.734 0 50 HFAA CC1=C(CCN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C(C)(C)CCC1 11783025 BYXZNNZHSLCPGE-GOSISDBHSA-N 415.582 2.706 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NC[C@@H](C)Oc2cccnc2)o1 11844158 FCSOBAZLTPDPRE-MRXNPFEDSA-N 410.474 2.775 0 50 HFAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2C[C@H]1C(=O)N2c1ccc2c(c1)OCO2 11880616 YEZJQVJUJTUNCD-HOTGVXAUSA-N 414.845 2.772 0 50 HFAA COc1ccc2c(C)nc(N3CCC[C@H](C(=O)NCC4(O)CCCCC4)C3)nc2c1 12036611 ABROXWFFHXDKDV-KRWDZBQOSA-N 412.534 2.975 0 50 HFAA Cc1cccn2c(CN[C@@H](C)CCCC(C)(C)O)c(C(=O)N3CCOCC3)nc12 12316207 JGJPOZRQXJWJNP-KRWDZBQOSA-N 402.539 2.534 0 50 HFAA CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccncc2)C1 14754105 GVLIWLGDTRCHHQ-RTWAWAEBSA-N 406.530 2.735 0 50 HFAA COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc(OC)c1 14992230 VSEIIJFCABZBSB-FQEVSTJZSA-N 415.538 2.577 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 17093240 PYQAJDGHHVUAFI-UHFFFAOYSA-N 422.572 2.561 0 50 HFAA Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCN2CCOCC2)cc1 34887709 VRKPHZDQXWJMCJ-OQKWZONESA-N 407.514 2.523 0 50 HFAA CN1CCN([C@H]2CCN(c3ncc(Cl)cc3Cl)C[C@H]2CCC(=O)O)CC1 95378206 KFKCLDYEJPODDK-CJNGLKHVSA-N 401.338 2.696 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 101672327 DNZYSRWZIQCYSU-HUBLWGQQSA-N 401.326 2.520 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc2)CC1 170603895 GMUJRKNTFSIFHA-MRXNPFEDSA-N 423.579 2.987 0 50 HFAA CC[C@@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@H](CC)CN1CC(C)(C)O 170619526 PJCJLBWSTCSOOH-QZTJIDSGSA-N 400.527 2.745 0 50 HFAA O=C1NCCN1[C@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 222165135 KKXPXABQNNYESY-UMWKCDSESA-N 410.356 2.737 0 50 HFAA C[C@H]1Oc2c(cccc2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)NC1=O 225600649 HPMDLCBNLCTAML-ALLJEULLSA-N 400.475 2.990 0 50 HFAA COCC[C@H](CO)NC(=O)c1cccnc1Oc1ccc(F)cc1Br 225624839 RWNGYFMOJRQNEM-GFCCVEGCSA-N 413.243 2.903 0 50 HFAA CCN(CCN1CCCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 253420318 OOFUNBMENGMWHI-UHFFFAOYSA-N 411.568 2.711 0 50 HFAA O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1)c1ccccc1 263616908 LDJYSNXOVAXZPT-HSZRJFAPSA-N 417.513 2.944 0 50 HFAA CN1CCCCC[C@@H]1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccncc1 299758159 NZPCKZGXAJHWOL-NHCUHLMSSA-N 412.578 2.634 0 50 HFAA Cc1ccc(-c2ocnc2C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)cc1 461110159 GHMNAUPIFFSUJM-UHFFFAOYSA-N 406.486 2.871 0 50 HFAA CCCNC(=O)CN1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 462091941 NRZBVLDJUGOWJY-UHFFFAOYSA-N 421.545 2.687 0 50 HFAA Cc1ccccc1CC(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 952989291 QHHMUJPCJAASCS-FQEVSTJZSA-N 400.544 2.896 0 50 HFAA C[C@H](CNC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)Oc1cccc(F)c1 1444910254 ZPSGJCDSYQPRLT-XHBKTUGNSA-N 401.356 2.520 0 50 HFAA COc1ccccc1-c1noc(CCC(=O)Nc2ccnn2C2CCN(C)CC2)n1 1506399630 BTHPNBFENGGELK-UHFFFAOYSA-N 410.478 2.780 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NC(C)C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 1857687073 KAMZBJNJXMFXFO-BMGDILEWSA-N 400.516 2.593 0 50 HFAA NC(=O)C1CCN(C(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)CC1 1857695493 LUZMBPPKCHRHOZ-ZDUSSCGKSA-N 404.898 2.812 0 50 HFAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N(C)C 1875255063 XGKFZQMEXMDXHF-RBUKOAKNSA-N 405.539 2.947 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CC[C@@H](Cn2cc(-c3cncs3)nn2)C1 1875326342 HBSQOPGVIRITGB-CQSZACIVSA-N 411.487 2.581 0 50 HFAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 6210208 YCSMPDAXQSKDJJ-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1 7328468 ZWOLAHNJQNYPTK-UHFFFAOYSA-N 400.460 2.779 0 50 HFAA COc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc1C 104468029 RAYCSIYHBFXWGA-JOCHJYFZSA-N 400.567 2.994 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 38530957 ANUOEZOPESBOIZ-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 11820933 AJLNVWLIMKWEDW-KRWDZBQOSA-N 411.502 2.700 0 50 HFAA CCCc1cc(OC)ccc1OCCCCN1CCN(CCOCC(=O)O)CC1 45068923 KVLBIHOJZWGJQQ-UHFFFAOYSA-N 408.539 2.526 0 50 HFAA COCCN1C[C@@]2(CCCN(C(=O)C3(c4ccc(OC)cc4)CC3)C2)CCC1=O 92004486 SHBPINAODQVKLA-JOCHJYFZSA-N 400.519 2.604 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)cc1 252448859 DCMCOCUGDZQHAR-RVTSJRKFSA-N 411.506 2.738 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(CN3CCCC3)c2)o1 952977068 JDIHPQXDKNMXNQ-NRFANRHFSA-N 410.518 2.513 0 50 HFAA O=C(c1cn(CC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c2ccccc12)C1CC1 1800409903 LIIHFUPUPYLKSQ-SFHVURJKSA-N 410.470 2.574 0 50 HFAA CC[C@@H](C)Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)n(-c2cnn(C)c2)n1 1772805899 VGYHPXSHWAQZGO-MRXNPFEDSA-N 408.506 2.729 0 50 HFAA CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2c(C)noc2C)cc1 5026294 PNYRQMVOLZCROR-CYBMUJFWSA-N 409.508 2.800 0 50 HFAA O=C1CC[C@H](C(=O)NC[C@@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)N1 11787000 MCHYGMWZONEDFR-DLBZAZTESA-N 420.387 2.951 0 50 HFAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2ccncc2)c1=O 12243611 KIFLEQQQSXRQRL-UHFFFAOYSA-N 410.518 2.546 0 50 HFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 12406116 CJBSKWBXZWKODC-OAQYLSRUSA-N 410.470 2.969 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccccc1)C2 14538234 BTADQMWVRHUBOJ-HXUWFJFHSA-N 410.562 2.701 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(Cl)cc1 14889321 LUBJZPGNCZYUJD-PMACEKPBSA-N 410.909 2.501 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC 206248202 VURRWVMBQQNAMG-QGZVFWFLSA-N 422.441 2.634 0 50 HFAA O=C(N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnn3cccnc13)C2)c1ccc2scnc2c1 1857684436 NWCCASSXTCSUGT-IGOJGBNBSA-N 418.526 2.979 0 50 HFAA O=C(O)c1cccnc1N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857726901 HQEYXLZCNCKLBN-JOCHJYFZSA-N 403.442 2.822 0 50 HFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)CS(N)(=O)=O)c(C)c1 1875333307 NRZKLBXTHAAWLG-MRXNPFEDSA-N 412.515 2.563 0 50 HFAA C[C@H]1CCCc2cc(C(=O)N[C@H]3C[C@H](NC(=O)c4cc5n(n4)[C@H](C)CCC5)C3)nn21 2325816591 FLHKXJWASGBXJV-LDKKBFSKSA-N 410.522 2.565 0 50 HFAA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 5044820 MZRZYLMNEVRUDL-PGMHBOJBSA-N 404.470 2.869 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NC1Cc3ccccc3C1)C2 14754033 YYCADKGZPAHYFO-GOSISDBHSA-N 410.587 2.706 0 50 HFAA CSCC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19227216 JQICZSDJWFHBAE-HXUWFJFHSA-N 403.592 2.713 0 50 HFAA Cc1cc(-c2nnc(CCC(=O)N3CCN([C@H]4CCc5ccccc5C4)CC3)o2)no1 19731673 UEKFOAFSFFYPBJ-IBGZPJMESA-N 421.501 2.667 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1scnc1-c1ccccc1 55153288 KWKRWLFWOBVLJN-IBGZPJMESA-N 420.538 2.817 0 50 HFAA Cc1ccc(OC2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)cc1 222298999 UPFFULAWZCPPNQ-QFIPXVFZSA-N 402.491 2.659 0 50 HFAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCS(=O)(=O)C[C@@H](C)C3)c12 225462847 XDIWDKIDOIEOBM-ZDUSSCGKSA-N 418.563 2.879 0 50 HFAA CCOC(=O)c1nc(C2CCN(C(=O)c3cccn3Cc3cccs3)CC2)n[nH]1 225530850 JBPOXNPPNSLRRZ-UHFFFAOYSA-N 413.503 2.913 0 50 HFAA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)[C@H]2CC[C@H]1O2 239173666 OKCUEOYXSHXUMC-VQHPVUNQSA-N 413.301 2.516 0 50 HFAA CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC)cc1 245343581 SNBBMVIZPATJKD-JPAWQOSXSA-N 406.475 2.641 0 50 HFAA NC(=O)C[C@H](C1=Cc2ccccc2OC1)c1oc(CN2CCCCC2)cc(=O)c1O 253395989 ASNGBOVJICCGHV-GOSISDBHSA-N 410.470 2.766 0 50 HFAA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3ncnn3c2=O)cc1 254589452 GORHLGRHODBGDY-UHFFFAOYSA-N 401.451 2.560 0 50 HFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436555025 HXKLZRAZAXWTDV-HBGVWJBISA-N 412.486 2.564 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc(-c2ccccc2)no1 670441047 QFZJBZJDRPNJSD-VMQIMYIWSA-N 414.509 2.639 0 50 HFAA COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 743995939 KHYLPULYLYPODP-QGZVFWFLSA-N 424.501 2.926 0 50 HFAA O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 764686524 WXNIPAVTGMGYHT-QGZVFWFLSA-N 424.831 2.959 0 50 HFAA CC(C)(O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c1 806890569 JUCGNRIHRFSSGD-INIZCTEOSA-N 403.429 2.526 0 50 HFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccccc1N1CCOCC1 952981011 YOTAESRPSKNPLH-UHFFFAOYSA-N 407.474 2.958 0 50 HFAA CCOc1cc(CNC[C@H]2CCCN(CCOC)C2)ccc1OCCn1ccnc1 952989600 NSBOHIUPFBCBLV-OAQYLSRUSA-N 416.566 2.809 0 50 HFAA O[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[C@@H]1N1CCN(c2ccccn2)CC1 1565527333 QWNCIRZGTJKOIP-BURFVFRZSA-N 412.965 2.919 0 50 HFAA Cc1nnc(N2C[C@@H](C(=O)NC3(CN4CCCCC4)CCCCC3)CC2=O)s1 1857706479 UZDWMUXMORHPPP-INIZCTEOSA-N 405.568 2.504 0 50 HFAA O=C(c1cc(CO)ccn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356140397 HOLBSNDFXNIPIV-VAPSRWTKSA-N 419.525 2.658 0 50 HFAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ccncc1)C[C@H]2O)c1cscn1 2356154876 NUGJVLKHUBBFFQ-JWUVWSEFSA-N 406.511 2.549 0 50 HFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(OCC)cc3)c(=O)c2c1C 1971150 YRKCKEFEHYHIKA-UHFFFAOYSA-N 415.471 2.981 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)CC1 11814284 LCKFFERAUQANNC-OAQYLSRUSA-N 400.567 2.546 0 50 HFAA COc1cc(CN2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cnsn1 12036748 ITOHZAIVFXSSJE-OAHLLOKOSA-N 404.536 2.978 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCN2CCCC2=O)C1 12595281 WQQRGMGSVBQIQV-JOCHJYFZSA-N 404.482 2.553 0 50 HFAA COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C)C(=O)O)cc1 65364292 OTTSLIVXLRPURC-ZUOKHONESA-N 414.458 2.843 0 50 HFAA biogenic Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1Cl 72115718 MQRRZFIYDKTXFW-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1O 72437760 RLOLMTKKOFWBKT-LEWJYISDSA-N 422.591 2.771 0 50 HFAA CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)C1CCC(N)CC1)C2=O 170677220 VXIXYVWJVWCESW-UHFFFAOYSA-N 406.571 2.632 0 50 HFAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)C1 229702733 IXLKLBJMTHNSJV-KZNAEPCWSA-N 420.985 2.789 0 50 HFAA COCCn1c([C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)nc2ccccc21 252552882 VDLCCQLYTRWXMU-MRXNPFEDSA-N 419.485 2.660 0 50 HFAA C[C@H]1CN(C)c2ccccc2N(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 482452840 ODDTXCFLVUPIMR-IBGZPJMESA-N 421.545 2.630 0 50 HFAA Cc1noc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)c1-c1ccccc1 1506398152 LYCRIYUUHROTRK-LJQANCHMSA-N 404.470 2.979 0 50 HFAA Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C(=O)C[C@@H]2CCNC2=O)c(C)c1 1875334820 GNZQEIFZACCAEE-FPOVZHCZSA-N 407.514 2.759 0 50 HFAA CCCn1nc(CC(C)C)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100544923 BGOZCCPOLUIGPI-UXHICEINSA-N 402.495 2.833 0 50 HFAA CCCN1C(=O)[C@]2(CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)c2ccccc21 2100545527 URSSSMTWCOLTRN-QFIPXVFZSA-N 412.511 2.631 0 50 HFAA CCOCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(OC)c1 2356142596 YZBOZVVYXQUFDB-ZFMNYDKASA-N 400.519 2.502 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 692795 ZVGLDNGJPBZKRY-MRXNPFEDSA-N 408.410 2.501 0 50 HFAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)CCNC(C)=O)cc1 11773417 KNBILJWRHGACDZ-OAQYLSRUSA-N 409.486 2.818 0 50 HFAA COC(=O)c1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)nc1 12385702 YBBGABWFIMYRNS-OAQYLSRUSA-N 404.413 2.604 0 50 HFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(Cc3ccccc3F)nn2)n1 12590937 KNQDWJPEJPTGKY-UHFFFAOYSA-N 408.359 2.555 0 50 HFAA CN(C)CCCNC(=O)[C@@H]1C[C@H](COc2cccnc2)CN(Cc2ccccc2)C1 14740423 HSAVYYZTCHVNIL-FCHUYYIVSA-N 410.562 2.667 0 50 HFAA COc1cccc(CNCCC2=CCCCC2)c1OC[C@H](O)CN1CCOCC1 14966738 PVUQTFINVGHWEU-OAQYLSRUSA-N 404.551 2.747 0 50 HFAA O=C(CCC1CCCC1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 15074117 TZHXFHRUKVJJMQ-UHFFFAOYSA-N 405.583 2.519 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCOCC1 19229224 PLRHHYXHZIVTNV-OAQYLSRUSA-N 405.558 2.651 0 50 HFAA CCOC(=O)c1sc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)nc1C 23095845 DRXLOOOHUUOTHI-UHFFFAOYSA-N 416.547 2.693 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 32578162 VZTRFNYPTCMNDR-SFTDATJTSA-N 419.928 2.974 0 50 HFAA CC[C@H](C(=O)NC)n1nc(Br)c(Br)c1Br 59949723 QOCDBPLNLLXFLK-SCSAIBSYSA-N 403.900 2.868 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)cc1 67623106 GWNHZXPZBLDICR-UHFFFAOYSA-N 406.490 2.640 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@@H]43)[C@H]2C(=O)N1c1ccc(F)cc1 136284686 QDNJKBZKGZUKGQ-OANMRLRGSA-N 400.456 2.889 0 50 HFAA CC(C)C(=O)N[C@@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1 225637143 IIQJJNATYXUZOF-HXUWFJFHSA-N 418.582 2.518 0 50 HFAA Cc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C 225835621 AVKXJJPNFZBAAI-UZUQRXQVSA-N 405.454 2.835 0 50 HFAA COc1cc(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc(OC)c1 247531408 OXBJUFHCXUQHJZ-KURKYZTESA-N 420.531 2.939 0 50 HFAA CN(c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1)S(C)(=O)=O 952962452 DOHBYBWIYIHEQF-LJQANCHMSA-N 404.488 2.893 0 50 HFAA CCc1noc(C)c1C(=O)NCC1CCN(CC(=O)Nc2ccccc2F)CC1 1506399982 LDLDWRXSBGRARG-UHFFFAOYSA-N 402.470 2.765 0 50 HFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cccc(OCCCN3CCCCC3)c1)C2 1857669654 IOECKDLSGMOVHK-NZQKXSOJSA-N 402.535 2.865 0 50 HFAA CCn1cncc1CN1CC[C@@H](O)[C@]2(CCCN(C(=O)Cc3ccc(C)cc3)C2)C1 1857688228 XWEOEQCHHLJUIQ-ISKFKSNPSA-N 410.562 2.630 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 1857693230 NRCJOBFQDZLZDP-HNNXBMFYSA-N 416.503 2.729 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCc4csc(=N)[nH]4)C3)nc2c1 1857696439 AMQXQSHYILJMJA-CYBMUJFWSA-N 415.519 2.671 0 50 HFAA Cc1nn(C)c(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1C 1857700733 GQSMMWYIZFUCPN-HSZRJFAPSA-N 418.501 2.715 0 50 HFAA CCCc1nnc(N2C[C@@H](C(=O)NCCCc3nc(C)c(C)s3)CC2=O)s1 1857739912 YOJHBVHTQVQRSP-ZDUSSCGKSA-N 407.565 2.666 0 50 HFAA O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1875243384 FJIVHOQPZIWJEE-MAUKXSAKSA-N 402.274 2.837 0 50 HFAA Cc1cc(C)c([C@H](CO)NC(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(C)c1 1875306313 ZXIYFPGNYIIHIX-ROUUACIJSA-N 421.538 2.580 0 50 HFAA CCn1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726735 DXAUPDOMIOLHNA-IYBDPMFKSA-N 414.525 2.688 0 50 HFAA CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(CC1)CN(C)C(=O)O2 2325819050 PLKACZSYUIEVJK-KRWDZBQOSA-N 421.925 2.928 0 50 HFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)NCCO 2207689 PTSWUJNZLIOELF-LBPRGKRZSA-N 402.472 2.663 0 50 HFAA COCCNC(=O)c1cccc(OC2CCN([C@@H](C)CCn3cccn3)CC2)c1 12076325 CKMDNKKWHHFTAJ-SFHVURJKSA-N 400.523 2.581 0 50 HFAA O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(I)o1 12375075 NAIWBFVBSNSBAC-POHAHGRESA-N 409.135 2.957 0 50 HFAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CN2CCOC2=O)C1 12704068 YBFYFHGAXHTWBZ-QFIPXVFZSA-N 402.491 2.633 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 13679331 COKSNGCUWRKYGS-SFHVURJKSA-N 406.479 2.701 0 50 HFAA CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 13810088 SMLILUAQOHSRQU-HKWRFOASSA-N 419.506 2.829 0 50 HFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1nc(C)c[nH]1)CC2 14538913 QCDKABRQGCDPAD-UHFFFAOYSA-N 421.501 2.923 0 50 HFAA COC(=O)c1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 14978719 RLICCNIFJXSRBX-UHFFFAOYSA-N 413.562 2.772 0 50 HFAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 14996927 ZDNVIBXFYQBCAI-FGTMMUONSA-N 423.513 2.962 0 50 HFAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cc(CCc3ccccc3)no2)N1 19791309 QUAGAWZEYSFMCU-FQEVSTJZSA-N 404.470 2.776 0 50 HFAA O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 20500827 RHWXELFLWKNBIC-UHFFFAOYSA-N 415.444 2.786 0 50 HFAA Cc1cccc([C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 72442046 CHPVSHKIHVAWGP-RTWAWAEBSA-N 415.559 2.719 0 50 HFAA CC(C)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cc1 91595480 LTKHQMRCUQFHSP-RTWAWAEBSA-N 401.551 2.753 0 50 HFAA O=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 91663469 GRROLAWQPDYBIY-QFIPXVFZSA-N 411.590 2.579 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br 101087217 GBXKLGJEAMVKAV-SGMGOOAPSA-N 401.326 2.520 0 50 HFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(OC)c(F)c4)CC3)nn2)n1 169777390 MHKWOWFAXJLQGG-UHFFFAOYSA-N 414.441 2.906 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](NCCC(=O)NCc2ccccc2)C2CC2)C1 170601614 UPCBSYRYMLWTSY-CTNGQTDRSA-N 417.550 2.697 0 50 HFAA Cc1nonc1CNCc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 299802413 LQQSMTMTBSIBOT-UHFFFAOYSA-N 422.416 2.899 0 50 HFAA Cc1ccc(-c2nnc(CN3CCC[C@H](n4ncc(N5CCC5)cc4=O)C3)o2)cc1 328604636 KMEAVRAWLGHARQ-SFHVURJKSA-N 406.490 2.649 0 50 HFAA COc1ccc([C@@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C(C)C)cc1 468718576 XSYLLSJKSGPIKZ-FQEVSTJZSA-N 417.531 2.770 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCCN(c2cccc(F)c2)C1 495206751 ZXASFWIRWPRPHG-GUMUARPZSA-N 411.521 2.603 0 50 HFAA Cc1cc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c2cccc(Cl)c2n1 952965395 QHPLYDZTBOOOKV-UHFFFAOYSA-N 409.877 2.653 0 50 HFAA Cc1nccn1Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 952985314 GISDYPNVXFXYCV-QFIPXVFZSA-N 417.513 2.569 0 50 HFAA C[C@]1(NC(=O)c2cccc(N3Cc4ccccc4C3)c2)CC2(CCNCC2)OC[C@@H]1O 1704311584 CSUITBSKVJHWDY-UPVQGACJSA-N 421.541 2.599 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857667820 AWXVUCJAZJCCRW-WPYKKVEZSA-N 413.539 2.835 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 805949 REUTTYCTCVNURE-MRXNPFEDSA-N 405.285 2.843 0 50 HFAA Cc1ccccc1CSCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2851511 SUAOACMDOOPZCR-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA COc1ccc(C)cc1N(CC(=O)NCCSc1ccc(C)cc1)S(C)(=O)=O 2984102 AVJMCCOPRPEBLF-UHFFFAOYSA-N 422.572 2.987 0 50 HFAA CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1c(C)no[n+]1[O-] 3231435 QQIGTSUIRXDMTA-BOPFTXTBSA-N 421.409 2.939 0 50 HFAA CC[C@@H](COC)NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12385744 JPUHWADROBUFHL-INIZCTEOSA-N 404.507 2.630 0 50 HFAA O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCC(c2ccccc2)CC1 12587831 RZHUOHIXVQYTJI-XMMPIXPASA-N 417.553 2.751 0 50 HFAA Cc1nc(C)c(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccnc3)C2)s1 14534623 NEYGOFJZNMJPGY-GOSISDBHSA-N 416.547 2.681 0 50 HFAA CSc1cccc(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)c1 14976538 MKVPSYKKHCNKDG-UHFFFAOYSA-N 402.568 2.724 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cnc3sc4c(n3c2=O)CCCC4)CC1 16626083 AYHRJMVMHOFSTF-UHFFFAOYSA-N 424.526 2.606 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 19889746 BOGMZFONSQDYCG-UHFFFAOYSA-N 407.923 2.805 0 50 HFAA COc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@H]3C4)cc(-n3cnnn3)c2)cc1OC 105891186 LHRNLCAXRCJTKH-KSSFIOAISA-N 405.458 2.971 0 50 HFAA Cc1c(C(=O)NCC2(C(N)=O)CCOCC2)sc2nc(C(F)(F)F)ccc12 170634893 UZTVMFUSGKZTAN-UHFFFAOYSA-N 401.410 2.635 0 50 HFAA COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 247832783 HZUAFMAHJJKZTE-MYGLTJDJSA-N 416.477 2.791 0 50 HFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c(OC)c1 263616328 ICEHOKWZNPTOSN-UHFFFAOYSA-N 408.458 2.598 0 50 HFAA CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)cc1 328606289 QYXVKWSFYXSHGU-FCHUYYIVSA-N 418.497 2.968 0 50 HFAA COc1cccc2c1NC(=O)C[C@H]2C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 824801307 IYWXYXAWUQETTD-LJQANCHMSA-N 421.497 2.850 0 50 HFAA O=C(Nc1ccccc1-c1ccccc1)N1CCC(N2CCN(CCO)CC2)CC1 1506415407 NQLVNZUKFJPLGK-UHFFFAOYSA-N 408.546 2.960 0 50 HFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)CN1CCN(c2ncccn2)CC1 1506419027 VZQNPVKDIOOVIE-UHFFFAOYSA-N 422.558 2.593 0 50 HFAA O=C1CCN(Cc2ccc(Br)cc2)C(=O)N1Cc1nnc2n1CCCC2 1875311517 COXFTNOLHRRUKF-UHFFFAOYSA-N 418.295 2.731 0 50 HFAA COCCN1C(=O)[C@]2(CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)C2)c2ccccc21 2100539588 PDRICKADZVNEAG-DEOSSOPVSA-N 419.481 2.953 0 50 HFAA COc1cccc(OCCN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356151541 MZBOKTJNFNBDRU-DNVFCKCGSA-N 402.535 2.835 0 50 HFAA COc1ccc(-n2nc(C)nc2[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 2356155569 IUAFOODZODJAGV-RTWAWAEBSA-N 424.457 2.530 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@@H]1COc2ccccc2O1 958048 ONFHUSCVCWLZEJ-SFHVURJKSA-N 411.439 2.661 0 50 HFAA Cc1c(N2C(=O)[C@@H](C)S[C@]23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C 1088937 XIUVWBJVLGVTJB-JLCFBVMHSA-N 420.494 2.758 0 50 HFAA CN(C[C@H](O)Cn1cc(C=O)c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 2882882 CXUMHFYFARLOQH-INIZCTEOSA-N 406.891 2.789 0 50 HFAA CCNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 11911387 QUFUXZIFVCSNID-KRWDZBQOSA-N 403.523 2.620 0 50 HFAA CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2 11976035 RNIVPUQAMPQSDG-NRFANRHFSA-N 404.518 2.859 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 12058456 PRWKHMQNQJHUKX-HSZRJFAPSA-N 418.509 2.943 0 50 HFAA COC(=O)c1cc(CNC(=O)Cn2ccc(C)n2)cc(NC(=O)c2ccccc2)c1 12099823 WVKGCGVXOIROMA-UHFFFAOYSA-N 406.442 2.547 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 12386292 IKKLFOUOEHLGFW-FQEVSTJZSA-N 419.566 2.814 0 50 HFAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NC[C@H]1COCCO1 12457570 WGRVCBWNYNPPCV-INIZCTEOSA-N 405.882 2.657 0 50 HFAA COc1cc(CN(C)Cc2ccon2)ccc1OC[C@@H](O)CN1CCCCCC1 12594263 QPDGPGPWQZNPSA-FQEVSTJZSA-N 403.523 2.931 0 50 HFAA COc1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)ccc1F 12704055 FGTGYBSSQMAZJE-INIZCTEOSA-N 402.470 2.843 0 50 HFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCCN3C)CN(CC(C)C)C2)cn1 14753228 JBJPZUCCBGAGMR-BDTNDASRSA-N 416.610 2.963 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1ccccc1C 15071830 NBGKJQLHYQOZBJ-UGKGYDQZSA-N 418.497 2.727 0 50 HFAA Cn1c2ccc(Br)cc2c2nnc(SCCN3CCOCC3)nc21 19798654 AQOSBQYTQABLTH-UHFFFAOYSA-N 408.325 2.703 0 50 HFAA CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 55408858 KEZCRCISUVKQPR-VQTJNVASSA-N 411.589 2.668 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 65363923 BGLBIZZNAMPUTL-UHFFFAOYSA-N 419.445 2.698 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)c1 169777087 CGQXFMLNIZDQAU-UHFFFAOYSA-N 406.417 2.741 0 50 HFAA O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(CCc2ccccn2)CC1 334162331 MLRNSEOYUSBENN-UHFFFAOYSA-N 415.437 2.529 0 50 HFAA COc1cc(N)c(C(=O)OCc2nc(N)c3ccccc3n2)cc1Br 803953461 VPODZDYWXLSULD-UHFFFAOYSA-N 403.236 2.922 0 50 HFAA CN(C)c1cccc(C(=O)N2CC[C@]3(C(=O)NC(C)(C)C)CCCN(C)[C@H]3C2)c1 1775981238 ICBDCBQDQJMHOO-WMZHIEFXSA-N 400.567 2.594 0 50 HFAA O=C(NS(=O)(=O)NCc1ccc(F)cc1F)OCCc1ccc(Cl)cc1 1875322859 KREKFJRSCVEEPC-UHFFFAOYSA-N 404.822 2.922 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2cccc3cc[nH]c23)CC1 2100542820 HDNRFKIFKHKHRK-UHFFFAOYSA-N 419.529 2.980 0 50 HFAA Cn1cccc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)CC3CCCCC3)CC2)c1=O 2332239018 UFNIKYDGKOVVMW-GDLZYMKVSA-N 421.563 2.585 0 50 HFAA Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC[C@H]3CCCO3)nc2s1 1060505 IFEAXNMIQPVZPQ-CYBMUJFWSA-N 419.528 2.795 0 50 HFAA CC(C)Cc1nnc(NC(=O)CSc2nc(=O)c(-c3ccccc3)c(O)[nH]2)s1 2751106 PDFOHSPCIGGNHV-UHFFFAOYSA-N 417.516 2.923 0 50 HFAA COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)ccc1O 2784653 UBUWFXBMRVPAOZ-HXUWFJFHSA-N 412.442 2.993 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCCCC2)c(C)c1C 12458567 XCPKNWPLJIWWCS-HXUWFJFHSA-N 401.551 2.795 0 50 HFAA O[C@@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1N1CCN(c2ccccn2)CC1 19300715 LSUJYPFUPFBCCD-DNQXCXABSA-N 402.542 2.992 0 50 HFAA COC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 20607851 VIMAIHLTOOUNCF-CHWSQXEVSA-N 418.515 2.917 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc(C)n2)n1 65365152 KPMBHQZJURAQAO-UHFFFAOYSA-N 408.481 2.618 0 50 HFAA O=C(O)COc1ccccc1[P@](=O)(O)N(C[C@H]1CC=CCC1)C[C@H]1CCCO1 263621492 BZPROTKQYJCGFG-DLBZAZTESA-N 409.419 2.798 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 952987900 OPIZBOBCTCDAAH-HXUWFJFHSA-N 410.453 2.976 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc3c(cc2C)OCO3)cc1OC 1529114996 XGPKLSBXPDFFDX-FGZHOGPDSA-N 401.459 2.675 0 50 HFAA COc1cc(F)ccc1CN1CC[C@H](O)[C@H](NC(=O)CCCc2ccccc2)C1 1857667230 RARXXHPPJWQSCI-RTWAWAEBSA-N 400.494 2.909 0 50 HFAA CN1CCN(c2cc(N3C[C@H](C(C)(C)C)O[C@H](c4ccccc4)C3)nc(=N)[nH]2)CC1 1875248009 UDLTUHSWFKMDKU-RBUKOAKNSA-N 410.566 2.634 0 50 HFAA CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1Br 869411 UVHQHOQAHOMPAG-UHFFFAOYSA-N 423.332 2.800 0 50 HFAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2nn(C)c3nc(C)cc(C)c23)cc1 2356169156 VDZPUESTNDAVOA-UHFFFAOYSA-N 401.492 2.526 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(OC)c1 2356169393 AIBZDOKIQASONA-SEPYTNNBSA-N 416.518 2.605 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1CCCc1ccccc1 55098798 MBXPELMATNBURE-UHFFFAOYSA-N 413.547 2.732 0 50 HFAA O=C(NCc1ccccc1Cn1cccn1)[C@H](c1ccccc1F)N1CCOCC1 462027409 MPRVBQPERXYUNA-QFIPXVFZSA-N 408.477 2.760 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCOCC2)n1 64800190 YXTGWFZISHZADU-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)cc1 472295694 JAZAMLMPSWRDBR-UHFFFAOYSA-N 404.275 2.565 0 50 HFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 491996512 GVPZUPJFNSAVMH-ZWOKBUDYSA-N 421.497 2.955 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c(Cl)c1 72437019 ZBYVIVTZWOCJRA-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 813399377 CJNQUUALYMWUFH-KRWDZBQOSA-N 424.831 2.959 0 50 HFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccc(OC)c(OC)c2)CNC3=O)c1 263618418 SXKYZMVYGYOFAR-OAQYLSRUSA-N 408.458 2.608 0 50 HFAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C(N)=O)c1C 668523 TWAWIPZISMUIEY-FNORWQNLSA-N 402.428 2.713 0 50 HFAA COC(=O)c1ccccc1S(=O)(=O)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704344439 NRJFZTDSXLKEHG-WVBUVRCRSA-N 415.511 2.782 0 50 HFAA COc1ccc(CNCc2cnn(C)c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 11709702 CYVWIBKRTRKKHH-JOCHJYFZSA-N 424.545 2.590 0 50 HFAA C[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 11788296 YHLKFHMELWFJJK-ZHRRBRCNSA-N 419.953 2.547 0 50 HFAA CCCN1CCC([C@@]2(CC)NC(=O)N(C[C@H]3COc4ccccc4O3)C2=O)CC1 12154505 XFBHYEJUJQQMSX-HTAPYJJXSA-N 401.507 2.649 0 50 HFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H](NCc3ccc(Cl)cc3)C[C@@H]12 14751178 ZESRRZKLHAVEOM-FHWLQOOXSA-N 418.324 2.794 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)N1CCCC1 16650978 KLNDTBIIFVXEGY-UHFFFAOYSA-N 419.528 2.544 0 50 HFAA Cc1cc2c(cc1-c1nccn1-c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)OCO2 1857685109 CFNLPXAQOAPCSD-OAHLLOKOSA-N 414.487 2.749 0 50 HFAA O=C(c1ccoc1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCO)CC1 1857686444 XBGZOKLZCLJQAU-UHFFFAOYSA-N 418.497 2.683 0 50 HFAA O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCOC2(CCOCC2)C1 489268306 RPGKRWKJHLUVOS-UHFFFAOYSA-N 402.882 2.820 0 50 HFAA Cc1ccc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 920043008 DODKKLVSRIGGAF-HNNXBMFYSA-N 422.576 2.875 0 50 HFAA O=C(O)CN(Cc1ccccc1Cl)C(=O)Cn1nc(-c2ccccc2)ccc1=O 1875257426 LCBJKZFMSSXWOK-UHFFFAOYSA-N 411.845 2.677 0 50 HFAA CSc1cc(C(=O)N[C@@H](CNC(=O)C2(O)CCSCC2)C(C)(C)C)oc1C 1875348129 YENHGZBBKIWPEG-HNNXBMFYSA-N 414.593 2.829 0 50 HFAA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2)cc1 1110748 MDONZSNDXFDOEW-UHFFFAOYSA-N 416.240 2.915 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(I)cc1 1466736 LPRJUPLZYHJFBY-UHFFFAOYSA-N 421.190 2.883 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N 2843505 GTKNUMOBIUGYOY-UHFFFAOYSA-N 419.894 2.964 0 50 HFAA O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC1CC1 2979215 ZBBKPLDVKTZUOI-UHFFFAOYSA-N 409.305 2.923 0 50 HFAA Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 4163665 HRMXAWGZWPUXLM-TXPKVOOTSA-N 422.359 2.828 0 50 HFAA O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccnc1 4869118 XPRVQLJSWFYUBF-HSZRJFAPSA-N 402.406 2.818 0 50 HFAA O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6701351 CFNRNSJJPVPRQR-HXUWFJFHSA-N 409.511 2.952 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCn2cncn2)C1 12204906 HYMIUENWDROKJO-OAHLLOKOSA-N 419.913 2.988 0 50 HFAA CC(C)c1nc(C(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cs1 12576272 ZAJTWXPJCPYQQY-AWEZNQCLSA-N 417.535 2.915 0 50 HFAA CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715673 DYPXMYLSWUNZNF-GOSISDBHSA-N 407.467 2.967 0 50 HFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCc2cccs2)CC1=O 14531365 QJTOMXJIXKRXFH-LJQANCHMSA-N 415.559 2.988 0 50 HFAA Cn1c(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc2ccccc21 15065576 HOAKSYFDLNUKKA-QGZVFWFLSA-N 421.501 2.827 0 50 HFAA C[C@@H](c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1)N(C)C 71751637 VTNLQIVVCWFWLI-HNNXBMFYSA-N 418.515 2.695 0 50 HFAA Cc1ccc(Cn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n[nH]c2=O)cc1 169770161 GNUQRVXNZZZGMK-UHFFFAOYSA-N 420.469 2.677 0 50 HFAA COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239165049 NJODFZJMBFAOBI-JQVOGXOBSA-N 420.387 2.601 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 245242219 KHJADHKTWFJFGG-SMOZNVCYSA-N 401.466 2.735 0 50 HFAA O=C(Cc1ccccc1)N1CCN(c2ccc3nnc(-c4ccsc4)n3n2)CC1 302286492 KEWXAKSZUSNXAA-UHFFFAOYSA-N 404.499 2.744 0 50 HFAA Cc1cc(CN(CC(C)C)C(=O)[C@@H]2CCN(C)C(=O)C2)nc(N2CCCCC2)n1 486099300 WRVJFOJDZPHBLJ-GOSISDBHSA-N 401.555 2.628 0 50 HFAA Cc1ncn(-c2ccc(NC(=O)c3csc(CN4CCN(C)CC4)n3)cc2)c1C 1875356161 HWHOFLBBYPJCHP-UHFFFAOYSA-N 410.547 2.945 0 50 HFAA CC(C)c1nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)cs1 2100547356 HHBWGTYCWMLNKQ-SJORKVTESA-N 407.923 2.835 0 50 HFAA CC1(C)C[C@H](CC(N)=O)N(c2ncnc3sc(I)cc23)C1 2325854405 CDLQXZFSBDVFQB-QMMMGPOBSA-N 416.288 2.776 0 50 HFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1Br 2830674 ZNZTZTVRXSYQAP-UHFFFAOYSA-N 408.277 2.683 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(F)c1F)C2 11785981 HQKNLHMRPLGNPM-UHFFFAOYSA-N 423.485 2.696 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)CC1 11938033 JMBJLHUQKWBFBS-LJQANCHMSA-N 414.594 2.938 0 50 HFAA COC(=O)c1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 12219108 WNLXCKVPCAMHAM-LJQANCHMSA-N 411.506 2.528 0 50 HFAA Cc1c(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)[nH]c2ccccc12 12302541 NACDOBGKUFHCHT-KRWDZBQOSA-N 416.547 2.887 0 50 HFAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 12382899 SQRGPTZNRKHJGK-GOSISDBHSA-N 424.563 2.515 0 50 HFAA COc1ccc(-c2cnnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 12385553 RVYOXMVCTPAPQV-UHFFFAOYSA-N 405.458 2.598 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N(C)CCc2ccccc2)c1=O 14967010 NJHXRRHEQXHCDE-UHFFFAOYSA-N 417.509 2.765 0 50 HFAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20493961 GUPGJVXWRIOATK-UHFFFAOYSA-N 413.499 2.701 0 50 HFAA COCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccc(OC)c3)nc21 20605692 CLSFJHNFFHDEOK-UHFFFAOYSA-N 401.444 2.563 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cc(-c3ccccc3)on2)n1CCOC 20783339 NHXKQNIFBBZCJL-UHFFFAOYSA-N 418.519 2.610 0 50 HFAA CCN1CCN(CCN2CC3(CCN(C/C=C/c4ccccc4)CC3)OC2=O)CC1 72411568 BDYQFVUIDXFVBC-RMKNXTFCSA-N 412.578 2.624 0 50 HFAA C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc12 229847218 JKAQESWOQFHOJO-UYAOXDASSA-N 409.530 2.588 0 50 HFAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3c[nH]c4ccc(F)cc34)N=C2O)cc1 252510538 ZNDNTTLRFUDRON-LJQANCHMSA-N 424.432 2.694 0 50 HFAA Fc1ccc(-n2cccn2)c(CN[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 952980513 LGVLNBIFWYHDNB-FMGHMSBISA-N 417.532 2.669 0 50 HFAA O=C(c1cncc(NC[C@@H](c2ccccc2)N2CCCCCC2)n1)N1CCOCC1 952988379 LMYJAOHJWKQSRJ-NRFANRHFSA-N 409.534 2.978 0 50 HFAA Cc1[nH]nc(CN2CCC3(CC2)CN(Cc2cscn2)C(=O)CCO3)c1Cl 1704308832 LQOUPUMQWUPYLQ-UHFFFAOYSA-N 409.943 2.612 0 50 HFAA C=CC(=O)N[C@H]1CN(C(=O)CC2(COC)CCOCC2)CC[C@@H]1c1ccc(F)cc1 1875383493 WNTYMYSKEPXGJV-UXHICEINSA-N 418.509 2.646 0 50 HFAA NCCc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1 2325850074 LEATURBUEREFNA-UHFFFAOYSA-N 412.515 2.613 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 630903 WLNCKIQOSALLNU-KRWDZBQOSA-N 408.907 2.727 0 50 HFAA CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1 2733881 MRDCXNOEZNTTEN-UHFFFAOYSA-N 405.911 2.565 0 50 HFAA COc1ccc(OC)c(N2C(=S)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4192351 BKQBTEWJKJIGSS-MSOLQXFVSA-N 418.540 2.789 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 6700769 SJZNORFNKRWXNJ-OAHLLOKOSA-N 404.488 2.743 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 10325594 KHOZPTYIFFDKDU-UHFFFAOYSA-N 413.849 2.816 0 50 HFAA O=C(NCc1ccccc1Cl)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003252 JWDRELGHORQTEL-UHFFFAOYSA-N 413.282 2.990 0 50 HFAA O=C(C[C@H](c1ccc(O)cc1)c1ccccc1O)N1CCN(c2cnccn2)CC1 12717787 OVSZXSXGCTZYPP-HXUWFJFHSA-N 404.470 2.759 0 50 HFAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCc1cccs1 15072052 PMQOYMZHUQNZTR-NRFANRHFSA-N 400.500 2.807 0 50 HFAA CC(=O)c1cccc(OCc2cc(C(=O)N3CCN(Cc4ccccn4)CC3)no2)c1 20119465 QSFIGALNKWXSSE-UHFFFAOYSA-N 420.469 2.809 0 50 HFAA Cn1cnnc1[C@@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 20599826 NGNQDINMHTZDRH-OAHLLOKOSA-N 413.551 2.530 0 50 HFAA CCOC(=O)C1(CCOC)CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 20601374 BGNXXABLWXFACC-UHFFFAOYSA-N 415.534 2.666 0 50 HFAA CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 65364670 LSWZACOFEOTKQQ-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA CCc1ccccc1OC1CN(C[C@]2(O)CCCN(CCc3ccccc3)C2=O)C1 67867096 WIXSLMAOLTTZBL-RUZDIDTESA-N 408.542 2.908 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1OC 72145086 AZSBPGRTNROTLB-QHCPKHFHSA-N 409.486 2.754 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)s4)ccn3n2)c1 169777061 IVCUUDODGNVHHP-UHFFFAOYSA-N 408.483 2.972 0 50 HFAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCS(=O)(=O)C[C@H](C)C3)c12 225462810 XDIWDKIDOIEOBM-CYBMUJFWSA-N 418.563 2.879 0 50 HFAA O=C(Nc1cc(NC(=O)[C@@H]2CCCOC2)nc(-c2ccccc2)n1)[C@@H]1CCCOC1 253426912 JDBKXBCQENLQQN-IAGOWNOFSA-N 410.474 2.874 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc(O)c2)CC1 299773869 GOCDHNOOSHBOFT-JOCHJYFZSA-N 414.477 2.802 0 50 HFAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@H]([C@@H](O)C(F)(F)F)C3)cs2)c1C 444735397 ZTUMBSHHGTZAMX-SWLSCSKDSA-N 416.469 2.656 0 50 HFAA CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 481569882 HRQFMLMGURXVGU-OAHLLOKOSA-N 410.921 2.958 0 50 HFAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 684694691 DWFQMZNMNZFSSW-INIZCTEOSA-N 417.535 2.594 0 50 HFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)C1CCN(C(=O)c2ccccn2)CC1 827758062 AZAHIPPQBCGXOZ-SFHVURJKSA-N 412.559 2.776 0 50 HFAA O=C(NCCc1ccc(O)cc1)[C@@H](c1ccccc1)n1c(O)nc2ccccc2c1=O 888089442 DAADEKMNWDNLJF-OAQYLSRUSA-N 415.449 2.756 0 50 HFAA Cc1cc(N(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C(C)C)ccc1C(N)=O 1776006207 OMXTYCRJPDXTDW-UHFFFAOYSA-N 408.433 2.834 0 50 HFAA O=C(/C=C/c1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716737 QNZCJHXIBXTFAM-VOTSOKGWSA-N 420.513 2.539 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)c4cncs4)[C@H]3C2)sc2nccn12 2325875912 FPMAXTSDJBSMGB-IHRRRGAJSA-N 415.544 2.831 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(Br)ccc(OC)c3C2)C1 2325889612 ZCLGCPPAUCUIDJ-CYBMUJFWSA-N 407.308 2.767 0 50 HFAA O=C(c1cccnn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356138195 HULGZYNYLQHLCG-SEONNTABSA-N 408.477 2.700 0 50 HFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)cc1O 679476 RYILUGASNDXDPX-SFHVURJKSA-N 401.850 2.999 0 50 HFAA CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Br)cc1 1064474 CELRBTASROEZGV-UHFFFAOYSA-N 409.265 2.715 0 50 HFAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1OC 1118025 CQNUGRWWIXUXIO-CYBMUJFWSA-N 415.309 2.822 0 50 HFAA COc1cc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc(OC)c1OC 2997977 MDUWDTILQZTFOE-UHFFFAOYSA-N 404.444 2.846 0 50 HFAA COc1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1OC 9262938 YYNBAYAIJHHADB-UHFFFAOYSA-N 405.505 2.995 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@@H](CCC(=O)NCc2cccc(OC)c2)C1 11818159 BPBPQZYSRQZZQC-KRWDZBQOSA-N 404.507 2.674 0 50 HFAA NC(=O)[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 12072390 MXJJPFIVLMQKAC-IBGZPJMESA-N 404.470 2.777 0 50 HFAA CCOC(=O)c1cc(CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)on1 12410854 LFJKWZDYKUQLOR-UHFFFAOYSA-N 411.443 2.874 0 50 HFAA biogenic,in-vitro COCCN1CCC(CN(Cc2ccncc2)Cc2ccccc2OCCO)CC1 12432898 GJQJHPNNHIZMKB-UHFFFAOYSA-N 413.562 2.813 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 13427369 BLUSYAKAHOJHAT-XJKCOSOUSA-N 414.361 2.581 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccnc1)CC2 14538931 PYIYPDUUKBADCH-UHFFFAOYSA-N 407.518 2.728 0 50 HFAA O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1 19642695 VETVGDMEYSWJDV-LZMFZKJZSA-N 403.526 2.688 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)c1 169777099 ZZERCSCANFGBJX-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c(OC)c1 263618483 UALSTGGDAMDUOX-IBGZPJMESA-N 412.421 2.636 0 50 HFAA Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1C[C@H]1CCCCO1 461855284 REMUBGBDXJQBGK-HXUWFJFHSA-N 415.513 2.576 0 50 HFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(-c2nc(=O)o[nH]2)cc1 483742501 HWWFMPXJEJPKKZ-UHFFFAOYSA-N 404.426 2.971 0 50 HFAA CC(C)c1nc(O)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 2100539271 AOTPJPWDDSJZQV-DZGCQCFKSA-N 400.504 2.630 0 50 HFAA Cc1ccc(=NCCCNC(=O)C[C@H](CN)c2ccc(Br)s2)[nH]c1 2325851299 VWYNQROZRLVNIY-CYBMUJFWSA-N 411.369 2.687 0 50 HFAA COc1ccc(CC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)cc1OC 879315 RVXDDZADSDZGPT-SFHVURJKSA-N 409.364 2.529 0 50 HFAA COc1ccc(I)cc1S(=O)(=O)NCc1ccccc1 1156522 FKLVDGOHHALLIW-UHFFFAOYSA-N 403.241 2.778 0 50 HFAA COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)c(OC)c1 8588606 BPNADSINARODAX-UHFFFAOYSA-N 423.444 2.769 0 50 HFAA COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1C(=O)N1CCCC1 10110313 FHTHLNIZPFNATG-UHFFFAOYSA-N 402.516 2.842 0 50 HFAA CN(C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)[C@H]1CCOC1 12000897 GXRHGSODNWLWJW-JXFKEZNVSA-N 424.419 2.502 0 50 HFAA COc1cccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1OC 12126354 HUOZQSFPPUDZLJ-SFHVURJKSA-N 413.522 2.759 0 50 HFAA Cc1cc(C(=O)N(CCCN(C)C)CC2CCN(C3Cc4ccccc4C3)CC2)n[nH]1 12307371 GLJYMVQQVZEEQY-UHFFFAOYSA-N 423.605 2.991 0 50 HFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](CN3CCOCC3)C2)c(OC)c1 12432253 ZGQQETLZBJLLTI-QGZVFWFLSA-N 400.523 2.638 0 50 HFAA Cc1nn(CC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)c2ccccc12 12580201 QMDOLBOZNPUDRK-OAQYLSRUSA-N 418.541 2.918 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1c(F)cccc1F)C3 14980383 GEMDKUVHWFKBHO-ZDUSSCGKSA-N 418.513 2.945 0 50 HFAA COc1cc2nc(N3CCC[C@@H](O)C3)c(CNCC(C)C)cc2c(OC)c1OC 19143694 ABGYMKRCTBRKJW-MRXNPFEDSA-N 403.523 2.967 0 50 HFAA Cc1ccc(C)c(NC(=O)CC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 55270733 QZPYWGRPJBXCCU-LJQANCHMSA-N 400.567 2.507 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)cc1 77424774 DBLGVWNIKQHXIJ-CIEVZJJWSA-N 420.513 2.521 0 50 HFAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)cc1 77539536 GUBQXANCJNDGSV-HZLPDVBGSA-N 414.505 2.862 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C3=C2C(=O)OC3)cc1 169757958 ZVQUTKQIRGPLIG-LJQANCHMSA-N 413.380 2.789 0 50 HFAA O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)NC(=O)N2CC(=O)N1CCc2ccccc21 169759020 VCVRLMWEQFHNBX-FQEVSTJZSA-N 423.856 2.807 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777749 RGJSLJRBKGKKED-GOEBONIOSA-N 408.462 2.837 0 50 HFAA CN(CC[C@H]1CCCCN1C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 252675343 TUPMVPLMHFKAQP-PZJWPPBQSA-N 403.542 2.940 0 50 HFAA Cc1ccc(-c2noc([C@H](C)N3CCC(N4CCC[C@H]4C(N)=O)CC3)n2)cc1F 252679591 OQEJKKOSLGLSTG-KSSFIOAISA-N 401.486 2.659 0 50 HFAA COC(OC)[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 390832711 LTEURUKAUGVCGJ-IINYFYTJSA-N 423.362 2.969 0 50 HFAA C[C@@](O)(CNC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccsc1 740908937 DOSIBVYIOHNQOP-YLJYHZDGSA-N 403.504 2.573 0 50 HFAA COc1ccc(C(=O)N[C@@H](C)CN2CCc3ccccc3C2)cc1N1CCOCC1 824730180 ZCTXCVCMMBYDFR-SFHVURJKSA-N 409.530 2.708 0 50 HFAA COCCn1cnnc1CN(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1 952977365 PXRHUWVXQZAAJR-UHFFFAOYSA-N 413.503 2.535 0 50 HFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2cc(Cl)cc3c2OCC3)C1 1320118826 QWQMNTAHRZFKRR-CQSZACIVSA-N 402.882 2.905 0 50 HFAA Cc1cccc(Cn2ncc(C)c2NC(=O)COc2ccc(-n3cnnn3)cc2)c1 1506407829 LJZHXXNOLFVGCS-UHFFFAOYSA-N 403.446 2.541 0 50 HFAA Cc1ccc(CN2C[C@H]3CN(C(=O)c4cccc5c4CCC5=O)C[C@]3(CO)C2)s1 1772817682 VACBXWWMYIOVJQ-HJPURHCSSA-N 410.539 2.752 0 50 HFAA CCCCc1ncc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)[nH]1 1857684621 VRTLNFADWWINIQ-HNNXBMFYSA-N 402.524 2.778 0 50 HFAA Cc1cc(C)c([C@@H](CO)NC(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(C)c1 1875306312 ZXIYFPGNYIIHIX-QZTJIDSGSA-N 421.538 2.580 0 50 HFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4C4CCCC4)ccc3C2=O)C(=O)N1 2325896151 RZYBZTKLEHTBBN-WOJBJXKFSA-N 423.513 2.633 0 50 HFAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1Cl 1050977 GSQUVYZQWUYUCD-SECBINFHSA-N 415.726 2.708 0 50 HFAA Cc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 1137213 MLMJWWCTYFQWJG-UHFFFAOYSA-N 423.494 2.928 0 50 HFAA CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1 2402734 VAXQCCHSGBHNED-UHFFFAOYSA-N 424.482 2.767 0 50 HFAA COc1ccc(-c2ccnc(SCc3nc4c5cnn(C)c5ncn4n3)n2)cc1 2802884 XAJUIMPTLMMKSB-UHFFFAOYSA-N 404.459 2.769 0 50 HFAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCc1ccccc1 2877612 FLUYAKHLGUCHRA-UHFFFAOYSA-N 402.516 2.517 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 6349652 PAQIMTQIWISMHB-UHFFFAOYSA-N 411.483 2.838 0 50 HFAA O=C(c1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7284915 KIACDTIZWAKHQJ-UHFFFAOYSA-N 403.891 2.968 0 50 HFAA CCCCc1nc(CN2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)c[nH]1 11662170 RCRULBFGAUDSGM-QGZVFWFLSA-N 420.579 2.951 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)CC1 11765758 UALWNMAKMJTNRI-JOCHJYFZSA-N 402.535 2.869 0 50 HFAA COCCOC1CCN(Cc2ccccc2OC[C@@H](O)CN2CCCCC2)CC1 11768001 JNSKKBPUOWXAGU-NRFANRHFSA-N 406.567 2.540 0 50 HFAA COc1cc(CNCCC2=CCCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 12198533 CEOWRVAOURUPFN-JOCHJYFZSA-N 418.578 2.872 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCc1ccc(Cl)cc1 12207162 YQBMRTVOPMSFRN-IBGZPJMESA-N 403.885 2.529 0 50 HFAA O=C1CN(Cc2ccc(CO)o2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 14732335 DJFGKAAAUIXDBN-QHCPKHFHSA-N 421.497 2.597 0 50 HFAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCOCC1 14948183 RJLNEHAIYHOJHS-FQEVSTJZSA-N 407.986 2.775 0 50 HFAA O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 14952365 RNZYVHGTLKDTCC-QGZVFWFLSA-N 419.934 2.513 0 50 HFAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(F)cc2)CC3)cc1 14994627 XQNJENQCSLVQOD-UHFFFAOYSA-N 407.493 2.756 0 50 HFAA COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1 16649589 CANGBACBKWKWAJ-UHFFFAOYSA-N 406.442 2.824 0 50 HFAA Cc1ccc2c(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)cc(=O)oc2c1 20407857 MKAXRNBMPBNLLT-UHFFFAOYSA-N 409.461 2.997 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccno2)[C@H](c2ccccc2Cl)N1C 55212022 IZOYXZSNJRCARF-KNBMTAEXSA-N 405.882 2.911 0 50 HFAA Cc1cccc([C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 72442047 CHPVSHKIHVAWGP-LEWJYISDSA-N 415.559 2.719 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccccc3)C2=O)cc1 100819825 JQYMWPBSWICARG-KRWDZBQOSA-N 412.467 2.867 0 50 HFAA CCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O 206338869 SHPNPVQDSBIOQA-FDDCHVKYSA-N 406.486 2.933 0 50 HFAA CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1C[C@@H](C)C(=O)C[C@H]1C 239439219 ZPHDADIMGDXESP-CHWSQXEVSA-N 401.463 2.591 0 50 HFAA CNC(=O)c1cccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 241930307 UHMUKDYRBGHICD-XUVXKRRUSA-N 417.550 2.940 0 50 HFAA CC(C)C[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245264200 BZXBUIDYQNGCMI-BRSBDYLESA-N 417.575 2.833 0 50 HFAA O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263617170 MKXOAOVKFBXFTP-QFIPXVFZSA-N 409.534 2.774 0 50 HFAA O=c1c2nnn(-c3ccccc3)c2ncn1C[C@H](O)c1ccc(OC(F)(F)F)cc1 725844048 KHTIUCNYXVDXGI-HNNXBMFYSA-N 417.347 2.609 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(CCc3ccccc3)C2)c(C)o1 1772811468 WVAUQGHOSJNRMX-KNQAVFIVSA-N 416.543 2.863 0 50 HFAA O=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857722751 MVBWTPRDZSIXDO-UPVQGACJSA-N 412.505 2.794 0 50 HFAA O=C(O)[C@]1(Cc2ccccc2)CN(Cc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1O 2356145747 UPZYCFQOHAPDOP-UYAOXDASSA-N 405.397 2.888 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CN4CCCC4)C3)c3cccc(=O)n32)c1 2356158349 ICQLXTNCZYPJBV-QTEQDKRBSA-N 421.541 2.682 0 50 HFAA COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 2864199 XDHNFNAKTGCKDN-SFHVURJKSA-N 415.421 2.647 0 50 HFAA CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 4554999 MQECNQPLCYZCDN-SFHVURJKSA-N 404.216 2.615 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccnc4OC)C3)C2=O)c1 11772860 KXAIGVFQRMTRDF-QHCPKHFHSA-N 409.486 2.754 0 50 HFAA CN(C)c1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1 12100025 ITVLQHAFMHNSAC-OAQYLSRUSA-N 422.529 2.731 0 50 HFAA O=C([C@@H]1CCCO1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 12217397 BAKRMTCRRPUJBW-DEOSSOPVSA-N 421.541 2.909 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCC1(O)CCCCC1)CC2 14754046 KKRRIFCMZJAZGF-IBGZPJMESA-N 410.562 2.834 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(F)cc3F)C[C@H]2C(=O)NCC)CC1 20601687 UNCLWMWKBDYKML-RXVVDRJESA-N 408.537 2.508 0 50 HFAA Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)c2ccoc2)C1 23128434 YWSXXBAFJPOCAQ-KRWDZBQOSA-N 416.547 2.822 0 50 HFAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)c2C)cc1 39461500 YQKFDBYBTLCKIT-GFCCVEGCSA-N 403.508 2.579 0 50 HFAA Cc1cnccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 55182495 ZLAMINIIRWVLFX-FQEVSTJZSA-N 418.563 2.581 0 50 HFAA C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 223213301 JDZDHQJHNYHAKL-DNVCBOLYSA-N 414.527 2.666 0 50 HFAA C[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241301094 LQHMUYDEUBXOQQ-BPLDGKMQSA-N 415.877 2.745 0 50 HFAA O=C1CC[C@H](CCNCc2ccccc2)N1C[C@@H](c1cccnc1)N1CCOCC1 299762158 LMLPKRRJXXQXRS-PKTZIBPZSA-N 408.546 2.626 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)c3ccccc3n2)cc1 426518182 CIXOTECKZLQETG-MRXNPFEDSA-N 409.511 2.961 0 50 HFAA C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C[C@H](NC(N)=O)c1ccccc1 790206607 NOFCCEMMGGTBFI-KXBFYZLASA-N 410.474 2.962 0 50 HFAA Cc1c(S(=O)(=O)N2C[C@@H]3COCC[C@]3(CO)C2)sc2ccc(Cl)cc12 1772709018 LLDJDIYDHLYFFU-SJKOYZFVSA-N 401.937 2.883 0 50 HFAA CCOC(=O)C1CCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)CC1 1857697338 QCUCAVDHZFDHEC-UHFFFAOYSA-N 400.479 2.549 0 50 HFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2csc([C@@H](N)C(C)C)n2)CC1 1857735640 ITPGANFAENKYMO-HNNXBMFYSA-N 401.536 2.723 0 50 HFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cc(S(N)(=O)=O)c1C 1875251352 ANBBKEBZMASVCV-UHFFFAOYSA-N 424.526 2.582 0 50 HFAA CN1CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)[C@H]1c1cccc(Cl)c1 1875258782 RVFUUIZKCBEZHU-DYESRHJHSA-N 410.905 2.859 0 50 HFAA O=C(Cc1csc(NC(=O)NC2CC2)n1)Nc1ccc(F)c(N2CCOC2=O)c1 2325741451 TZKYHDCVBRBZTI-UHFFFAOYSA-N 419.438 2.704 0 50 HFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O 2325819526 HRAFGDCGZRUSSI-UKRRQHHQSA-N 406.891 2.755 0 50 HFAA CN(C(=O)c1n[nH]cc1Cl)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 2325839121 JHXJPRPVFKKQHN-JZXOWHBKSA-N 416.909 2.526 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC2(COc3ccccc3C2)C1 2356168959 QBMSANGENYNFJB-MRXNPFEDSA-N 421.950 2.642 0 50 HFAA CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O 1550769 CXGTZJYQWSUFET-IBGZPJMESA-N 408.472 2.679 0 50 HFAA investigational CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 2875251 WJCSAVIFTAWFRY-UHFFFAOYSA-N 406.504 2.677 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccco1)NC(=O)c1ccccc1 5007851 AJAPOZLDDRRELC-ZAQQZEBGSA-N 404.422 2.863 0 50 HFAA Cc1ncc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1 12434944 FHGHEHWYINTAKQ-UHFFFAOYSA-N 413.591 2.839 0 50 HFAA COc1ccc(CN(C)C(=O)c2cn(CCN3CCCCC3)nn2)c2cccnc12 12438425 ONEGDDIZWIPZOK-UHFFFAOYSA-N 408.506 2.593 0 50 HFAA Cc1nc[nH]c1CN1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 14741130 KBFKKUISDVIHBB-UHFFFAOYSA-N 404.518 2.757 0 50 HFAA O=C(CN1C(=O)CSC1=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 14976925 GXABPMISWRRENZ-QFIPXVFZSA-N 415.559 2.629 0 50 HFAA Cc1cc(C)c(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1C 20910045 ALRQIXCJEXXWHI-FQEVSTJZSA-N 419.595 2.508 0 50 HFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 59741068 MGKAJPMDSMCLHJ-MRXNPFEDSA-N 421.563 2.694 0 50 HFAA CC(=O)NC[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)C1 240333636 FENJCFXFABVJRX-MRXNPFEDSA-N 418.501 2.600 0 50 HFAA Cn1cc(-c2ccnc(NC(=O)c3ccc(I)cc3)n2)cn1 241720765 QRZVTAQRUXJARB-UHFFFAOYSA-N 405.199 2.734 0 50 HFAA COc1cccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)c1 245297657 WDGWHTOEYOJRNE-IWQHBPENSA-N 406.475 2.638 0 50 HFAA biogenic COc1ccc(CNC(=O)C2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)cc1 301474259 MSDUFPLATPRGHY-UHFFFAOYSA-N 407.474 2.981 0 50 HFAA O=C(c1cccnc1O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 426678148 RAZOTHPAOMHBHW-OAQYLSRUSA-N 401.413 2.720 0 50 HFAA O=S(=O)(NCc1ccccc1CN1CCC(O)CC1)c1c[nH]c2cccc(F)c12 474574393 HKASJDKMIZQRBA-UHFFFAOYSA-N 417.506 2.742 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)O)C(=O)[C@H]3C)c3ccccc3n2)cc1 952981017 GJMCYYKAYBAUGY-MRXNPFEDSA-N 417.465 2.968 0 50 HFAA CNC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c(C)c1 952985367 VLWQNICXTOYFFO-UHFFFAOYSA-N 409.486 2.998 0 50 HFAA O=C1CN(c2ccc(C(=O)N3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc2)C(=O)N1 1506396395 SHAJUPPXACYRIY-UHFFFAOYSA-N 421.432 2.778 0 50 HFAA CCc1ccccc1OC1CN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)cc2)C1 1506416632 CWSNRJGMJZDQED-QFIPXVFZSA-N 421.541 2.538 0 50 HFAA CN1CCC(n2nccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1506424805 CKNXTGGMVMQJCD-AWEZNQCLSA-N 401.898 2.795 0 50 HFAA COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1C 1615751511 XOJZCKXCSFRAEH-MOPGFXCFSA-N 415.534 2.739 0 50 HFAA CN(Cc1nncn1C)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857699873 BOLHBLNBFMXXQE-ZDUSSCGKSA-N 402.886 2.875 0 50 HFAA CNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2c1ccc(-c2nccn2C)nn1 1857730675 UMYSFRIQQONKIC-FHJLPGHOSA-N 402.502 2.593 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@@H](OCc4cccnc4)C3)cn12 2356161342 QJEAFDRWACHSMP-LJQANCHMSA-N 416.485 2.951 0 50 HFAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)N1CCCCC1 802373 UHFYMMXKRQMGCO-BBITVKMKSA-N 400.478 2.891 0 50 HFAA C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)NCc1ccccc1 1424231 LHADCNILPVQELE-INIZCTEOSA-N 408.527 2.865 0 50 HFAA COC(=O)c1sc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(=O)OC)c1C 2747786 DXELTZMAOLVPFM-UHFFFAOYSA-N 405.354 2.634 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 2982449 TXROYZTYXOQEMD-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 4760773 RPHKPDYJGQVFLN-PMACEKPBSA-N 411.502 2.540 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 11935564 FHEWNXQABYEMIO-OAQYLSRUSA-N 400.454 2.521 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)Cc2ccncc2C)CC1 11937774 FASKDSNPNVCKCL-UHFFFAOYSA-N 411.502 2.678 0 50 HFAA CN(C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)[C@@H]1CCOC1 12000893 GXRHGSODNWLWJW-UZLBHIALSA-N 424.419 2.502 0 50 HFAA COc1ccc(CNCCc2c(C)n[nH]c2C)cc1OC[C@@H](O)CN1CCCCC1 12589579 RTCVBPAWQDQPCZ-FQEVSTJZSA-N 416.566 2.593 0 50 HFAA COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CC1 12754166 QOWLULJVCGUEMN-HSZRJFAPSA-N 421.541 2.682 0 50 HFAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)C1CCN(CCc2ccccc2)CC1 14992003 WETOGIPMSLCTPC-UHFFFAOYSA-N 424.593 2.543 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)CCC1=O 15061508 RUDVHOGVQUCTLT-FQEVSTJZSA-N 413.562 2.911 0 50 HFAA COc1cccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 19567980 AEQUHYRXZDUKSW-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA C[C@H](Cc1cccnc1)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19745050 BHOOAAIQBBOAHH-LJQANCHMSA-N 419.529 2.748 0 50 HFAA CC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1 19873469 CLAFIFJCNYRRMO-UHFFFAOYSA-N 409.465 2.629 0 50 HFAA COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)cc1OC 20706664 DLCIYCYMEUVIJJ-UHFFFAOYSA-N 423.517 2.590 0 50 HFAA CC(C)Cn1c(CN2CCN3CCC[C@@H]3C2)cnc1S(=O)(=O)Cc1ccccc1 20999382 JIMYOLXYUYPTDN-HXUWFJFHSA-N 416.591 2.793 0 50 HFAA COc1ccc(CNCC2(N(C)C)CCCCC2)cc1OC[C@H](O)CN1CCCC1 32503428 ZNLFPZJXWUYCOA-OAQYLSRUSA-N 419.610 2.885 0 50 HFAA CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 43191165 ZTGJOFZDWOHVRU-MANSERQUSA-N 407.857 2.917 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 67601869 VKGGGGSNSKYFME-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA CCN(C(=O)CN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1COC2=O)c1ccccc1 169757928 AQIAYDMUSVHWBI-NRFANRHFSA-N 405.454 2.925 0 50 HFAA COc1cc(NC(=O)[C@H]2CCc3nnc(-c4ccc(O)cc4)n3C2)cc(OC)c1OC 170614545 WNDYWRVQVVCOEA-AWEZNQCLSA-N 424.457 2.878 0 50 HFAA COC(=O)c1sccc1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 170616629 ALNQRYIQQHITAZ-UHFFFAOYSA-N 417.892 2.552 0 50 HFAA COc1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)cc(Cl)c1OCC(N)=O 170636555 QSYONTWYPYVAJF-UHFFFAOYSA-N 421.856 2.839 0 50 HFAA Cc1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239274706 APKHLRUSDPHXPT-JQVOGXOBSA-N 404.388 2.901 0 50 HFAA CN(CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 240551685 GVKAQKMACBWMJH-NQIIRXRSSA-N 416.543 2.805 0 50 HFAA CC(C)NC(=O)CN1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 434279675 JMEPILDMHXKASF-UHFFFAOYSA-N 424.545 2.950 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c3ccccc3n2)o1 744626709 SSDBAGHEHIHCLJ-PSLXWICFSA-N 418.453 2.911 0 50 HFAA CCOCCONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 775238884 OLSLFJFHELMJKJ-UHFFFAOYSA-N 418.457 2.635 0 50 HFAA CCc1cc2oc(=O)cc(Cn3nc4ccc(C(=O)OC)cn4c3=O)c2cc1Cl 1875264771 NKNCJWGJBZWCGR-UHFFFAOYSA-N 413.817 2.653 0 50 HFAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 1875371725 KHRXZWGFUMDXNP-SFHVURJKSA-N 405.433 2.954 0 50 HFAA COC(=O)[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc(O)c(Br)c1 2325860311 CCERDBRERSBGQR-MRXNPFEDSA-N 418.247 2.984 0 50 HFAA O=C([C@H]1CCCO1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356145653 GVHAHODZBNLIIR-GZSKETOLSA-N 400.494 2.775 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)n(C)n4)C3)C2)c1OC 11944538 HXHFTNQZZFQGFB-HSZRJFAPSA-N 412.534 2.874 0 50 HFAA CCn1ccnc1CN(C)Cc1ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c1 12297559 HGZILRLLKXSKBF-LJQANCHMSA-N 404.555 2.624 0 50 HFAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 12448727 BGTUIHKJHKCIMM-HXUWFJFHSA-N 416.566 2.519 0 50 HFAA Cc1noc(C)c1CO[C@@H]1CN(C(=O)Cc2ccsc2)CC(=O)N(CC(C)C)C1 14534674 OOJJKHLHWDNLSI-SFHVURJKSA-N 419.547 2.808 0 50 HFAA COCCCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 14882847 HZZIVIDOYFNSAJ-UHFFFAOYSA-N 421.457 2.702 0 50 HFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCCN(c2ccccn2)C1 19146576 YCJBFFYUDXTPBD-OALUTQOASA-N 415.497 2.875 0 50 HFAA COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1 19553131 WABPLFFQWPZBTQ-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)s1 19842426 TWALJLOHHXNRBB-INIZCTEOSA-N 408.549 2.984 0 50 HFAA COCCn1c(CN(C)Cc2ccno2)cnc1S(=O)(=O)C1CCCCCC1 20997220 LWJLTGAANGESDS-UHFFFAOYSA-N 410.540 2.646 0 50 HFAA COc1cccc(CNCCCC2CCCC2)c1OC[C@H](O)CN1CCOCC1 23338049 LWYIFWBPDJLXPX-OAQYLSRUSA-N 406.567 2.827 0 50 HFAA O=C(Cc1noc2ccccc12)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 67620596 GPCIWJVMTHNSHK-UHFFFAOYSA-N 415.457 2.648 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 72480729 IFPDYJMQMCJEQS-HNNXBMFYSA-N 412.490 2.583 0 50 HFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)N(C)c2ccccc2)C2=C1C(=O)OC2 169764779 VQTZAAFQSLDYBD-NRFANRHFSA-N 421.453 2.626 0 50 HFAA NC(=O)N1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 170626683 UCWGYDGVCTVJFR-CQSZACIVSA-N 416.275 2.563 0 50 HFAA CCOc1ccncc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 242001056 VCNHYXWERLGNHT-KRWDZBQOSA-N 418.519 2.845 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2nc[nH]n2)c1 252572219 YZLNFSLYOALDEP-QGZVFWFLSA-N 404.430 2.515 0 50 HFAA CCc1ccccc1N1C[C@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC1=O 328591871 ASOWYCJVOJHQLX-OAQYLSRUSA-N 408.546 2.977 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)cc1Cl 824555197 XPEXPLDOHSQAFT-LLVKDONJSA-N 409.335 2.927 0 50 HFAA Fc1ccc(-c2n[nH]cc2CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 952861948 JCJMYEMGUUUOFI-SILAFFCESA-N 417.532 2.873 0 50 HFAA COc1nc2ccccc2nc1CCC(=O)N1CCCN(C(=O)c2ccco2)CC1 1506405728 LEJQGEPZHXZRTM-UHFFFAOYSA-N 408.458 2.539 0 50 HFAA C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 1875264543 LDBVQEQSAGPNPM-UYHISHBKSA-N 424.892 2.936 0 50 HFAA c1cn2nc(C3CC3)cc2c(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 2325816662 RCYJHZJZTJOAIX-UHFFFAOYSA-N 400.490 2.853 0 50 HFAA CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Br)cc1 3004714 CMPNRQGEYIDWBZ-UHFFFAOYSA-N 423.332 2.655 0 50 HFAA Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)n(C)n1 11996218 QBOKVRLSBLPGQP-LJQANCHMSA-N 400.498 2.811 0 50 HFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12303255 LBSJBAJWABINHE-KRWDZBQOSA-N 421.476 2.708 0 50 HFAA O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)N3CCC[C@@]123 12308134 ITNPLWYXSUHVTP-LEDOBFOHSA-N 400.486 2.600 0 50 HFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc(C)nn1C 12431946 KTJGHTOACLWNDM-IBGZPJMESA-N 410.562 2.697 0 50 HFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CCc2cnn(C)c2)CC1 12469912 LCIXZNKEWUBWKP-UHFFFAOYSA-N 413.518 2.776 0 50 HFAA COc1cc(CNCc2cn(C)nc2C)ccc1OC[C@@H](O)CN1CCCCCC1 12760832 LGTUNHQZTLVRDF-NRFANRHFSA-N 416.566 2.643 0 50 HFAA COc1ccc(CNS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC 17082219 HHMQWKNRHJOIJQ-UHFFFAOYSA-N 401.488 2.985 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2OC)n1C[C@H]1CCCO1 55099609 DWJJOYVMLBPUIY-LJQANCHMSA-N 421.563 2.886 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1 82087495 CGTLHOPBFVSSKO-HXUWFJFHSA-N 408.546 2.690 0 50 HFAA CN(CC(=O)Nc1ccn(C)n1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 95529364 KEXFEVSWSKORJN-GOSISDBHSA-N 403.958 2.899 0 50 HFAA C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N1CCN(C)CC1 230510291 JOAZZZHFMDEEBU-SNVBAGLBSA-N 406.118 2.753 0 50 HFAA C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]12 252470058 WPBZOXULLMVBCB-OIQZTIIGSA-N 418.449 2.719 0 50 HFAA biogenic O=C(CCn1nnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253413899 VYIXBOXKPDKUGV-QFIPXVFZSA-N 424.464 2.964 0 50 HFAA O=C1C[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)C(=O)N1c1ccc2ccccc2c1 740003252 WMLPLKQJWUPDNT-OAHLLOKOSA-N 415.375 2.598 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC(c2nc(C(C)C)no2)CC1 952872019 HWSNTTBITLYMDP-UHFFFAOYSA-N 405.480 2.914 0 50 HFAA COCCCOCC(=O)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952894525 RLHRZQFHRDQUSS-GOSISDBHSA-N 413.396 2.822 0 50 HFAA Cn1cncc1CN(CCO)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 1704330841 HHGXSZXCDQIEQP-UHFFFAOYSA-N 401.470 2.908 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3ccc4c(c3)OCO4)C1)CC2 2356146443 GXEXUDGESVWCKD-QHCPKHFHSA-N 408.502 2.711 0 50 HFAA COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4ccc(OC)nn4)ccc3O2)c(OC)c1 12040382 GDGUKJGDRRASDY-QGZVFWFLSA-N 421.453 2.903 0 50 HFAA COC(=O)[C@@H](NC(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)c1ccccc1 12056693 AKUYVQQALJKUMT-GMAHTHKFSA-N 412.461 2.828 0 50 HFAA CN(C)[C@H]1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 12387760 VCTYBLJYQWAVEJ-NRFANRHFSA-N 408.546 2.901 0 50 HFAA Cc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)on1 14994617 KDCRDTMRUCKQOC-UHFFFAOYSA-N 400.442 2.963 0 50 HFAA c1ccc([C@@H](Cn2ccnc2)Nc2nc3nonc3nc2N2CCSCC2)cc1 15074375 NFPQOLSWOXSCHU-OAHLLOKOSA-N 408.491 2.616 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1ccccc1 20345167 TZAIBJZJCWYZMO-UHFFFAOYSA-N 419.412 2.830 0 50 HFAA COc1cccc(CN2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)c1 20538765 WJGJFSUTBGUKQX-UHFFFAOYSA-N 405.502 2.601 0 50 HFAA CN1CCC(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 65365042 KJTONEZKACFIOJ-UHFFFAOYSA-N 421.950 2.746 0 50 HFAA O=Cc1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 66054166 NMGZJUFXXKNVDW-UHFFFAOYSA-N 412.208 2.690 0 50 HFAA in-vitro Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccoc3)[C@H]4C2=O)c1 77458168 TVUXCICLSZWFAT-XARGGIHNSA-N 406.482 2.837 0 50 HFAA COc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1Cn1cccn1 104509819 RLIKPWCLXRAUBV-JOCHJYFZSA-N 400.567 2.855 0 50 HFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169777978 NVNJKRBXQMFHDM-GFCCVEGCSA-N 422.367 2.876 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4cccc(F)c4)CC3)n[nH]c2=O)cc1 169779284 ZEQBSVWPIAFBSS-UHFFFAOYSA-N 424.476 2.716 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)Nc2nnn(Cc3ccccc3F)c2C)c(C)c1 170617448 AYLJLFYQCLVMDU-UHFFFAOYSA-N 418.450 2.670 0 50 HFAA C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)C[C@H]1COc2ccccc2O1 248117945 MAZYXEKZYYXGQI-XLIONFOSSA-N 411.502 2.622 0 50 HFAA CC(C)Oc1ccccc1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328604100 INLMYPBJHZGCII-HXUWFJFHSA-N 412.534 2.704 0 50 HFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1nc(-c3ccccc3Cl)no1)C2 426548428 FGUSPTSYJWAWHX-UHFFFAOYSA-N 400.870 2.629 0 50 HFAA OCCN1CCN(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)CC1 1704313915 SDJOFHTYTLWZPL-UHFFFAOYSA-N 417.557 2.876 0 50 HFAA CCOC(=O)[C@]12COCC[C@H]1CN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)C2 1857670034 LYOOLGPJRTVQHZ-YCRPNKLZSA-N 401.438 2.566 0 50 HFAA Cc1nc(=N)[nH]cc1C(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875245540 DSSGABKVJAPHJJ-LEWJYISDSA-N 418.453 2.881 0 50 HFAA COc1ccc(N2C[C@H](C(=O)N=c3cc(-c4ccco4)[nH][nH]3)CC2=O)cc1Cl 1940196140 MZKRNIADFORVTD-LLVKDONJSA-N 400.822 2.745 0 50 HFAA CCOC[C@@H](Cc1ccc(F)cc1F)NS(=O)(=O)c1cc(C(=O)O)c(C)s1 2325877696 XYOGITQLJQRZNW-CYBMUJFWSA-N 419.471 2.959 0 50 HFAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NN4CCN(C)CC4)c3n2)cc1 2769520 HOHYHTOBBNDLLA-UHFFFAOYSA-N 400.433 2.535 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cnc(N(C)C)s2)CC1 11949426 NHFGJZCBKVARLN-SFHVURJKSA-N 407.628 2.802 0 50 HFAA COc1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1OC1CCN(C)CC1 12432325 DUZQAIXFRVGDBC-SFHVURJKSA-N 412.486 2.738 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)CC1 12715127 NVKFSMSXUXCYBE-UHFFFAOYSA-N 423.853 2.830 0 50 HFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14754611 NAIWNHKQOTWCDO-UHFFFAOYSA-N 408.502 2.649 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2ccc(F)cc2F)c1=O 14977523 SDABFPPZVKCDPM-UHFFFAOYSA-N 403.429 2.921 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)s1 20166969 XUZIYTXDVCZTOG-QFBILLFUSA-N 417.579 2.556 0 50 HFAA COc1cc(OC)c(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(OC)c1 20450939 BTAIRJLACQBYSQ-IBGZPJMESA-N 400.519 2.781 0 50 HFAA Cc1nc(CN2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)cs1 20782176 JFBYNNULOWWZSC-UHFFFAOYSA-N 416.938 2.703 0 50 HFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)on1 33270426 SALWFEWUBNMREL-QGZVFWFLSA-N 405.476 2.508 0 50 HFAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528706 FRSYIZWTGFYDMT-UHFFFAOYSA-N 419.485 2.536 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCCCc1ccccc1 55132611 RTBFURYMEJAEAC-HXUWFJFHSA-N 417.912 2.919 0 50 HFAA COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 170610542 RQMLKUZOXRTGHU-SFHVURJKSA-N 402.472 2.512 0 50 HFAA CSCC[C@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 230214000 KHPIZFVWYKFEMW-CQSZACIVSA-N 406.458 2.785 0 50 HFAA CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239287476 CWIVIYHTEMEAKV-HRFMKDBOSA-N 422.481 2.635 0 50 HFAA CCC[C@]1(C2CCN(C(=O)CC(C)(C)C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 299760176 HQGVFMCODYDUHR-HTAPYJJXSA-N 407.555 2.931 0 50 HFAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1 438254724 RXYLOURFXPLUDO-QGZVFWFLSA-N 408.568 2.692 0 50 HFAA C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 684751271 GVVLJDPTXFXBAW-CABCVRRESA-N 411.535 2.777 0 50 HFAA O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccccc1NS(=O)(=O)C(F)(F)F 732763762 GIEZVOWSGRUTHA-ZDUSSCGKSA-N 413.421 2.957 0 50 HFAA O=C(NC[C@@H]1CC2(CCOCC2)CN1c1nccnc1F)c1cncc2ccccc12 1875358837 LLCLYCBGVFSMGG-KRWDZBQOSA-N 421.476 2.969 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 1875369447 OOJMURKFZALQBX-MRXNPFEDSA-N 406.486 2.936 0 50 HFAA CCOC[C@H](Cc1ccc(F)cc1F)NS(=O)(=O)c1cc(C(=O)O)c(C)s1 2325877697 XYOGITQLJQRZNW-ZDUSSCGKSA-N 419.471 2.959 0 50 HFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCC[C@@H](Cn2ccnc2)C1 2356137445 YGRPSSSZXFPCIB-INIZCTEOSA-N 400.548 2.648 0 50 HFAA CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 678977 JOSMOLAITDLVKX-UHFFFAOYSA-N 419.528 2.762 0 50 HFAA CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)o2)nc1C 2399906 XRDHIEHLAZIEPH-UHFFFAOYSA-N 405.461 2.804 0 50 HFAA O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccc(F)cc2)CC1 5099721 IHVUTCRNARMUKX-UHFFFAOYSA-N 417.506 2.718 0 50 HFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)C2CCOCC2)C[C@@H](C)O1 11818960 FREXCWHEPCHBED-GASCZTMLSA-N 420.941 2.848 0 50 HFAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)Cc2cccnc2)CC1=O 14535826 VTXWMRPRKCUWHW-NRFANRHFSA-N 413.493 2.675 0 50 HFAA O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15004469 SCPMYVDIPUBTGO-UHFFFAOYSA-N 416.833 2.891 0 50 HFAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cc1 23374968 YPCUGQJLBKSGCM-FQEVSTJZSA-N 416.493 2.690 0 50 HFAA CN(Cc1cccc2ncccc12)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55054576 CVJOCZMQBPMAQM-QFIPXVFZSA-N 420.488 2.723 0 50 HFAA Cc1ccc(N2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nn1 82099455 SHFWCUGPJGFVTM-NRFANRHFSA-N 407.562 2.825 0 50 HFAA CC(C)N1CCC(N2CCN(C3CCN(c4ccccc4)CC3)C[C@H]2CCO)CC1 104628172 HBFSNTJTUBYXHF-RUZDIDTESA-N 414.638 2.897 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)Cc4cccc(OC)c4)nnc23)n1 169776048 BJDCEELQQXWTTO-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl 256015129 ZCNQYNHDVRPZIH-UHFFFAOYSA-N 403.888 2.795 0 50 HFAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)c1=O 742946307 IOIZDBIQMCQSPU-IBGZPJMESA-N 411.477 2.706 0 50 HFAA Cc1ncnc(C)c1C(=O)N1CCOC2(CCN([C@@H](C)CC(F)(F)F)CC2)C1 821746084 WTSARKFKUWLTPS-ZDUSSCGKSA-N 400.445 2.741 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@H]2CC(=O)OC24CCCC4)C3)cc1 952979123 MUPCZAIGYKPGJI-GOSISDBHSA-N 407.470 2.794 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)O)C(=O)[C@@H]3C)c3ccccc3n2)cc1 952980998 GJMCYYKAYBAUGY-INIZCTEOSA-N 417.465 2.968 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCCN(C(=O)C(F)(F)F)CC1)(C3)C2 1506419460 CIMASJXUOPUUCX-ZWQIFLOQSA-N 402.457 2.721 0 50 HFAA CCCCSCc1cc(C(=O)N2C[C@H]3CN(C(=O)C4CC4)C[C@@]3(CO)C2)oc1C 1772704484 UDSUGJSKRNUIFB-GCJKJVERSA-N 420.575 2.924 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCn1ccnn1 1857721651 ZMELZFBMIGCUCR-AWEZNQCLSA-N 402.886 2.886 0 50 HFAA Cc1cc(CN2CCC[C@@]3(CCCN(C(=O)CNc4cccnc4)[C@H]3C)C2=O)on1 2356143298 BQGAFLVWMDKEKZ-JTSKRJEESA-N 411.506 2.610 0 50 HFAA COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1OC 812509 WKTPQNSJBRLGTQ-SFHVURJKSA-N 417.487 2.773 0 50 HFAA CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 881329 SBJAWOIQFAOGGA-UHFFFAOYSA-N 421.950 2.694 0 50 HFAA Cc1cc(C)nc(SCc2nnc(Nc3ccc(S(N)(=O)=O)cc3)s2)n1 1805605 WAWWLYQRQXDFKM-UHFFFAOYSA-N 408.534 2.628 0 50 HFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 4810666 WQMPAWQWQFMKAP-AWEZNQCLSA-N 419.528 2.811 0 50 HFAA CCN(Cc1ccncc1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O 12162983 NXKHQUNDFANFKX-DEOSSOPVSA-N 421.497 2.688 0 50 HFAA Cc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1F 12462341 BSDPBRUWYCXTIP-UHFFFAOYSA-N 404.401 2.634 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCC1CCOCC1 13637040 XZYPPXNXLYRWOX-HSZRJFAPSA-N 421.541 2.587 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 16004369 DFAACMMTTVFCMC-UHFFFAOYSA-N 421.544 2.619 0 50 HFAA C[C@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N1C(=O)c2ccccc2C1=O 19808910 TVAHUHOHRAJUIA-OAHLLOKOSA-N 411.889 2.669 0 50 HFAA O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnc1nc(N3CCOCC3)[nH]c(=O)c21 19973972 AHSOEIQJVBXGKI-ZDUSSCGKSA-N 410.861 2.721 0 50 HFAA OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCCc1ccccc1 20211097 FNSPQNKXTCXQLK-JOCHJYFZSA-N 405.546 2.769 0 50 HFAA COc1cccc(CNCCCC2CCCC2)c1OC[C@@H](O)CN1CCOCC1 23338047 LWYIFWBPDJLXPX-NRFANRHFSA-N 406.567 2.827 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 36051263 PQLCPIHFIZCBHS-UHFFFAOYSA-N 421.950 2.902 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)ncn2)n1 67620897 PNSJSDASDQHTBT-UHFFFAOYSA-N 413.432 2.911 0 50 HFAA CC(C)Oc1ccc2c(NC(=O)CS(C)(=O)=O)nn(Cc3ccccc3)c2c1 72439700 QLUBPSILZMJBCE-UHFFFAOYSA-N 401.488 2.855 0 50 HFAA O=C(COc1cccnc1)N1CCC2(CCN(C3CCCCC3)CC2)[C@@H](CO)C1 97475600 MIHCXQPMMSTMSU-LJQANCHMSA-N 401.551 2.716 0 50 HFAA O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ncoc1-c1ccc2c(c1)OCCO2 409690851 VEXDDODQBINCMS-OAHLLOKOSA-N 411.458 2.776 0 50 HFAA CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H](C(=O)O)c1ccccc1 761621459 UQXILIRKILHOGE-MRXNPFEDSA-N 419.231 2.678 0 50 HFAA Cc1nc(C)c(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cn3cccc(C)c3n2)s1 1857681730 DFKKTFTVZMPDPR-IRXDYDNUSA-N 409.515 2.732 0 50 HFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857711767 LLUPADLXNFOGRY-INIZCTEOSA-N 415.494 2.614 0 50 HFAA Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 973447 IAUPPNAUNFMIRR-UHFFFAOYSA-N 415.920 2.502 0 50 HFAA C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NCCCN1CCCC1=O 2872582 QJBNATZLHRJJCY-LLVKDONJSA-N 403.704 2.999 0 50 HFAA CCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 3142435 ABWYBANVIMYIOJ-GFCCVEGCSA-N 412.726 2.982 0 50 HFAA COC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C 4764030 CEJRBPXRWXOFEP-UXHICEINSA-N 412.486 2.838 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)CC1 6395717 ZMWPXANMZDQJJE-QZTJIDSGSA-N 406.504 2.713 0 50 HFAA CCOc1cc(CN2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)ccc1OC 11783576 QUNHLQCTHKSFHX-UHFFFAOYSA-N 401.511 2.661 0 50 HFAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1 11937174 QRUYWVZDDHAORO-IBGZPJMESA-N 407.518 2.628 0 50 HFAA CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 12162030 IFECHVVGWVEMHH-AZUAARDMSA-N 403.571 2.566 0 50 HFAA O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1cc(CN2CCC[C@H](O)C2)on1 12587309 AHKOXOJHTCQPIU-AWEZNQCLSA-N 401.360 2.719 0 50 HFAA Cc1nn(C)cc1CNCc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 13596785 YBAVFJACUUJXRI-QHCPKHFHSA-N 408.546 2.890 0 50 HFAA COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C 15000258 VHSUMVXWDPAEGH-UHFFFAOYSA-N 419.529 2.512 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19852599 WHIPHDLOPUWVHO-UHFFFAOYSA-N 412.515 2.633 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860260 VELWKZYPGPOFPA-INIZCTEOSA-N 407.923 2.593 0 50 HFAA COCCCn1c(CN(C)Cc2cc(C)no2)cnc1S(=O)(=O)C1CCCC1 20535734 JPEZEGXGULYDPT-UHFFFAOYSA-N 410.540 2.564 0 50 HFAA CN1CCN(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 22933341 VRMVVJJBQZOJOR-UHFFFAOYSA-N 406.574 2.612 0 50 HFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 23353708 NLAYBSDNSLPXMT-HXUWFJFHSA-N 413.610 2.854 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2)CN1Cc1ccc(Cl)cc1 23361841 YULPQEYWOAAXEQ-SFTDATJTSA-N 401.938 2.835 0 50 HFAA O=C1OC2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)CN1CCOc1ccccc1 72423127 KBQOEUVPTVIUIV-UHFFFAOYSA-N 410.474 2.793 0 50 HFAA CCc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 169752488 SDEXHWDMQPXNTP-UHFFFAOYSA-N 402.454 2.856 0 50 HFAA CCn1nccc1C(=O)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777633 VFZIKQOZLITCKJ-INIZCTEOSA-N 418.461 2.689 0 50 HFAA Cc1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)c2c(O)nc(=O)n(C)c2n1 825124894 HEFSRYYNRMBKEI-MRXNPFEDSA-N 418.453 2.888 0 50 HFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cnc(-c4ccccn4)nc3)CC2)cc1 825168321 BCAAWKNUGIINSP-UHFFFAOYSA-N 401.470 2.882 0 50 HFAA O=C(c1ccco1)N1CCC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C1 826567371 RDCSNQBCONVQBO-CQSZACIVSA-N 400.859 2.796 0 50 HFAA COc1ccc(CCNC(=O)CN2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1 1506396643 DFMNRXNDTRBLFE-IBGZPJMESA-N 407.474 2.636 0 50 HFAA O=C(O)[C@@H](c1cccc(-c2ccccc2)c1)N1CCC(N2CCN(CCO)CC2)CC1 1506399376 MSJOOQGGLXOFOD-XMMPIXPASA-N 423.557 2.554 0 50 HFAA CC(C)Cc1cc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)on1 1772819213 QLQNPTQMHOPCTK-CQSZACIVSA-N 404.536 2.588 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c(C)s2)n[nH]1 1875251046 SKFSFNMWDIXBNZ-WBVHZDCISA-N 418.544 2.686 0 50 HFAA CCOC(=O)c1nn(-c2ccccc2)c(C(=O)OCC)c1N(C(=O)CC)C(=O)CC 1143109 DAZZFVJNXRSJJQ-UHFFFAOYSA-N 415.446 2.905 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccncc3)C2)cc1C 4413953 OQRKMFLEYCAMGI-GOSISDBHSA-N 417.531 2.506 0 50 HFAA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 6267559 BSKLDUUBOJXPRV-UHFFFAOYSA-N 413.293 2.626 0 50 HFAA Cc1nnc2ccc(SCC(=O)N3CCC[C@H](C(=O)c4cccs4)C3)nn12 11786623 WGSPGHBUPKOGQA-ZDUSSCGKSA-N 401.517 2.708 0 50 HFAA C[C@@H](Cc1ccccn1)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 11821410 PGIYQEKYBXSAAR-FQEVSTJZSA-N 421.589 2.900 0 50 HFAA COc1ccccc1N1CCN(c2ncccc2CNCc2cnc(C)n2C)CC1 12316502 DUCBHUXYPMPSCV-UHFFFAOYSA-N 406.534 2.749 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)nn1 15071408 BCRXEMPMQCWCJO-KRWDZBQOSA-N 401.511 2.614 0 50 HFAA CCC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 16579543 LXCWICGHRGBSHB-UHFFFAOYSA-N 421.494 2.694 0 50 HFAA COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 19418976 AKNNEGZIBPJZJG-QZTJIDSGSA-N 413.426 2.882 0 50 HFAA endogenous,in-man CCS(=O)(=O)c1ncc(CN(C)CCN2CCCC2)n1CCCc1ccccc1 19841963 JPQLIZRWQWUIFN-UHFFFAOYSA-N 418.607 2.837 0 50 HFAA CN1CCN(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)CC1 20386892 JDIRGINYGVQNEQ-UHFFFAOYSA-N 416.319 2.866 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2)CN1Cc1ccccc1Cl 23358286 IULSMXQWBQTVCS-FPOVZHCZSA-N 401.938 2.835 0 50 HFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 40266482 AJGCTDSDKXGNCF-UHFFFAOYSA-N 408.889 2.913 0 50 HFAA CN(C)C(=O)c1ccc(-c2cnn(CC(=O)Nc3ccnn3C3CCCC3)c2)nc1 48148071 MNDIXKOLATXOOH-UHFFFAOYSA-N 407.478 2.597 0 50 HFAA COc1ccc(C)cc1Nc1nc(N)nc(CN2CCN(c3ccc(F)cc3)CC2)n1 54274395 MUMKXYQVJNCNJI-UHFFFAOYSA-N 423.496 2.976 0 50 HFAA O=C(CN1CCCCC1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55131880 VQJZUMPDCPLXOS-OAQYLSRUSA-N 404.986 2.939 0 50 HFAA COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN1CCNC(=O)C1 72426687 ZQJHWXCAWSIUGX-UHFFFAOYSA-N 407.470 2.859 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)on1 82120103 XWPNRIJRDCVJOA-FQEVSTJZSA-N 411.550 2.713 0 50 HFAA CN1CCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)CC1 82162287 KFWHIUKHCFWTFG-UHFFFAOYSA-N 412.622 2.570 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)n1 96879134 IBPQXUXNDWRKMK-QHCPKHFHSA-N 409.509 2.784 0 50 HFAA CCOc1cc(=O)n2c(c1C(=O)Nc1cc(OC)c(OC)c(OC)c1)CCCC2 169752932 OTRSKPMSZQHZMG-UHFFFAOYSA-N 402.447 2.861 0 50 HFAA CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)n2)c1 225462187 CYRNXMHVALEZKW-CQSZACIVSA-N 410.396 2.594 0 50 HFAA O=S1(=O)CC[C@H](N(Cc2cccs2)C[C@H](O)COc2ccc(Cl)cc2)C1 245229224 REWRVMSBXKGXPX-HOTGVXAUSA-N 415.964 2.831 0 50 HFAA COc1ccc2nc(O)c([C@@H](CC(N)=O)c3c(O)n[nH]c3Cc3ccccc3)cc2c1 252499660 SDRVAFBEDPZQDV-MRXNPFEDSA-N 418.453 2.976 0 50 HFAA CCC[C@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 299770324 PXUXFRYUUPCYCK-NFBKMPQASA-N 415.534 2.874 0 50 HFAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC(S(=O)(=O)c2ccccc2F)C1 328596599 HABWJRVFVCWMLR-MRXNPFEDSA-N 420.462 2.683 0 50 HFAA O=C(O)CCNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240387 BCKCHAYBERZFOU-HXUWFJFHSA-N 408.454 2.991 0 50 HFAA O=C1CCCc2cc(C(=O)NC[C@@H]3CC(c4ccc5c(c4)CCO5)=NO3)ccc2N1 801342704 NNTXYNHVKYUXRA-SFHVURJKSA-N 405.454 2.819 0 50 HFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828189075 YVOIPLNBXDAGLL-MRXNPFEDSA-N 415.471 2.826 0 50 HFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@H]1c1nc(C(C)C)no1 952965666 BEIFJOYUMHFPKS-HNNXBMFYSA-N 417.491 2.913 0 50 HFAA C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1cc(F)ccc1N1CCC(O)CC1 1331905724 CQXHUGYRZFUJPP-AWEZNQCLSA-N 413.449 2.572 0 50 HFAA Cc1c(C(=O)N2CCC[C@H](c3nc(CC(C)C)no3)C2)sc2[nH]cnc(=O)c12 1506428481 QMUDTOXRPNPJCT-LBPRGKRZSA-N 401.492 2.894 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(C)n3nc(C)cc3n2)CC1 1506431504 NAYHBAKELSVYLO-UHFFFAOYSA-N 406.534 2.910 0 50 HFAA Cc1cccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)s2)c1 1529189863 ARDSALBJMWDYAV-KRWDZBQOSA-N 407.499 2.820 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCCNC3=O)[C@H]2C)c1OCCn1ccnc1 1875246393 FHCPUXCJAUHQFA-JPYJTQIMSA-N 412.534 2.851 0 50 HFAA O=C(NC[C@H]1CCC2(CCNCC2)CO1)c1c[nH]c2ncc(Br)cc12 2325854750 SOAQTPUFJMBRGS-CYBMUJFWSA-N 407.312 2.604 0 50 HFAA CNC(=O)[C@H]1COCCN1C(=O)c1cc2ccc(-c3ccc(C(C)C)cc3)n2cn1 2325900080 KDFCGTULXASWDZ-OAQYLSRUSA-N 406.486 2.712 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C1)CC2 2356154518 YQIASSPOJPPIGQ-QHCPKHFHSA-N 404.470 2.769 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4n[nH]c5c4CCC5)C3)C2=O)c1 12315817 MENWFPDBZRPPAT-HSZRJFAPSA-N 408.502 2.562 0 50 HFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccco1)CC2 14749185 QAASZEICSINIAK-UHFFFAOYSA-N 412.490 2.510 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N(C)Cc2ccccc2)c1=O 14965486 IQMXQACYAAAZTR-UHFFFAOYSA-N 403.482 2.919 0 50 HFAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2ccccc2SC)on1 15071085 GZYXOZILIXBLIR-CQSZACIVSA-N 420.487 2.770 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(=O)N(C)C 15075905 KIZGYMLOMAWGQS-FQEVSTJZSA-N 403.567 2.667 0 50 HFAA O=C(c1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19368857 OKSRCVGWPNOLGN-UHFFFAOYSA-N 413.477 2.894 0 50 HFAA CCOc1cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC 170592042 OAWURKCEFIBCDH-KDOFPFPSSA-N 403.928 2.573 0 50 HFAA C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)C(=O)NCCc1ccncc1 225857887 SUVAFYHYPSJUJD-AWEZNQCLSA-N 414.487 2.605 0 50 HFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCc1c[nH]c2ccc(F)cc12 334161331 AHBMLSFVCCOQNS-JENIJYKNSA-N 404.511 2.692 0 50 HFAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414714 VFTBHNFULQZKLJ-DYESRHJHSA-N 412.534 2.617 0 50 HFAA CN(C)[C@H](Cc1ccccc1)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 684478222 DWNRBTKSZIQVSB-GOSISDBHSA-N 406.452 2.922 0 50 HFAA NC(=O)Nc1cccc(C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)c1 746153783 WCFYQUSOMXCLQB-UHFFFAOYSA-N 411.439 2.696 0 50 HFAA CN1CCN(C[C@H]2CCCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)C2)CC1 1704331047 JQFNOGQQNLARJZ-MRXNPFEDSA-N 412.504 2.559 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 1772492742 PBKGTTSTTRCDRN-YHBQJITHSA-N 419.485 2.907 0 50 HFAA O=C1CO[C@@H](Cn2ccnc2-c2ccccc2)CN1CC1CCN(CC2CC2)CC1 1857731925 UGGUBKXDDQWUMC-QFIPXVFZSA-N 408.546 2.900 0 50 HFAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NCCCCc3ccccc3)nc12 1875350104 ATOIKFLBGYIYRO-UHFFFAOYSA-N 403.442 2.841 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 1875383018 CHTFRKFDZLYINH-AXHZCLLHSA-N 406.482 2.735 0 50 HFAA COc1ccc([C@H]2[C@H](C(=O)NS(C)(=O)=O)CCC(=O)N2c2ccc(C)cc2)cc1 1875391084 KAYZLWBIUKCEQQ-QUCCMNQESA-N 416.499 2.564 0 50 HFAA COc1ccc(-c2onc(N3CCN(c4ncnc(C)c4C)CC3)c2C(=O)O)cc1 2356157354 HAGWWISIICTHSK-UHFFFAOYSA-N 409.446 2.782 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1 631311 QIDZCNNPVUBOFK-XSVZSIDJSA-N 410.520 2.860 0 50 HFAA Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 1049336 JYNPLYKNIUVDPP-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC 4113715 LZCCXKSQKOQAEB-FQEVSTJZSA-N 412.442 2.954 0 50 HFAA CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4384659 JGJYVIGWLAJVFX-LAPQFRIASA-N 415.490 2.564 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1F 4749139 SOGLHWNMCLLVHC-UHFFFAOYSA-N 415.446 2.960 0 50 HFAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC(N2CCSCC2)CC1 11663027 NZQPAMUMTOWJMH-UHFFFAOYSA-N 405.955 2.633 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697536 GHTYOMJISBJBDX-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA Cc1nc2sccn2c1CN1CCC2(CC[C@H](CNC(=O)[C@H]3CCCO3)O2)CC1 11963992 CYHMBBRZRSGWOO-SJLPKXTDSA-N 418.563 2.513 0 50 HFAA Cc1cc(F)ccc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O 12445923 XMPSQGGNIZXDIW-UHFFFAOYSA-N 404.401 2.634 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCC(F)(F)F 19939263 WCOQZDHDWANKRP-GOSISDBHSA-N 421.419 2.848 0 50 HFAA O=C(c1nc2ccccn2c1CN1CCN(c2ccccc2O)CC1)N1CCCC1 20907376 BLUUIDXWJWLBCN-UHFFFAOYSA-N 405.502 2.598 0 50 HFAA CCSC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 22051920 XIAMBPFWKFYJOF-ZQIUZPCESA-N 401.598 2.669 0 50 HFAA in-vitro COc1ccc2nc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)sc2c1 32843232 YFHZNJBODSYVNJ-XEZPLFJOSA-N 406.533 2.969 0 50 HFAA biogenic CO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 55281005 VSFYXPSWHSKXGG-HXUWFJFHSA-N 405.564 2.972 0 50 HFAA Cc1ccc(F)c(NC(=O)CCC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 63832270 WPZCWVFJVKSWLN-FQEVSTJZSA-N 402.470 2.559 0 50 HFAA CC(C)Nc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 71638988 YQLFQXATMXVRLJ-SFHVURJKSA-N 400.571 2.600 0 50 HFAA CCc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4cccnc4)CC3)CC2=O)cc1 170627058 HQCUMEOZGTVWLN-HXUWFJFHSA-N 406.530 2.778 0 50 HFAA Cc1cc(NC(=O)CN(C)CC2CCN(C(=O)OCc3ccccc3)CC2)no1 225424985 OKRUYWICDUBNFX-UHFFFAOYSA-N 400.479 2.902 0 50 HFAA N[C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc3ccccc23)C1 299756281 FVRNBRPQBLRBQO-IRLDBZIGSA-N 417.509 2.829 0 50 HFAA Cc1csc(-c2cccc(CNC(=O)C[C@H]3NC(=O)N(Cc4ccco4)C3=O)c2)n1 334160929 OZOPDAWXSVBRLE-QGZVFWFLSA-N 424.482 2.838 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 409414494 LFRBEIYRNXNMRT-MSOLQXFVSA-N 406.442 2.765 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1 817044739 LOGHCHARCAWHOL-QGZVFWFLSA-N 421.266 2.854 0 50 HFAA O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1CCCCN1C(=O)c1ccccc1 827731002 FRTSTZVPUQATRM-SFHVURJKSA-N 407.499 2.911 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCN(c4ncccn4)C3)o2)c1C 1506431576 PPYWZCHVGPSLOV-HNNXBMFYSA-N 417.491 2.536 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(c3ncnc4sccc34)C[C@]23CC[C@H]1O3)c1cscn1 1857739231 FSWVWIFUUOYYJL-FAYLSGKYSA-N 413.528 2.562 0 50 HFAA O=C(C1CCC(C(=O)N(CCO)c2ccccc2)CC1)N(CCO)c1ccccc1 2325729088 MOIDTYKEQJJMDY-UHFFFAOYSA-N 410.514 2.844 0 50 HFAA Cn1c(Cc2noc(-c3ccnc(O[C@H]4CCOC4)c3)n2)nnc1-c1ccccc1 2325736154 MJKKJESIQCISMX-INIZCTEOSA-N 404.430 2.686 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2sccc2Cl)CC1=O 2325819818 QUOPFLHSHQDWJH-WCQYABFASA-N 412.920 2.816 0 50 HFAA COC(=O)c1sc(N2CCN(c3cc(C(C)C)nc(N(C)C)n3)CC2)nc1C 2325824746 OSHXEXKTYMSRGG-UHFFFAOYSA-N 404.540 2.544 0 50 HFAA O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1 2983264 XHHGICRKFOUSQV-FGZHOGPDSA-N 416.477 2.840 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccncc3)C2)c(C)c1 6709752 PPWYBULMOJAMIX-LJQANCHMSA-N 401.532 2.724 0 50 HFAA CSc1ccccc1OCc1cc(C(=O)N2CCN(c3ncccn3)CC2)no1 11818316 MWKQXMJGXQWKSZ-UHFFFAOYSA-N 411.487 2.728 0 50 HFAA CC(C)NC(=O)c1cn([C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)nn1 12123727 SJOAYXDUPSJXOE-JOCHJYFZSA-N 424.593 2.760 0 50 HFAA OC1CCN(C[C@H](O)COc2cccc(CNCCc3ccccc3Cl)c2)CC1 12755831 SYPRRHHHWFRMET-NRFANRHFSA-N 418.965 2.869 0 50 HFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 14530527 FNWKHVFJOMXBBR-QGZVFWFLSA-N 410.518 2.905 0 50 HFAA C[C@H](CC(F)(F)F)N1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1 20406552 WGFFMMVCINHHJI-CQSZACIVSA-N 410.440 2.504 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 21795281 VUEONSJFJXHKHL-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)cs1 77456354 CMUOYSUMOMSCNJ-NTLWEQJWSA-N 413.474 2.536 0 50 HFAA O=C(O)C[C@H]1CS(=O)(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 157682743 ZXWGKTNAYMLEAB-AWEZNQCLSA-N 415.467 2.509 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)COc4cccc(C)c4)n3n2)cc1 169750963 ZQFPYOAAMOWQGQ-UHFFFAOYSA-N 403.442 2.804 0 50 HFAA COc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)c1 169757920 TZGXTAVXWHXIJZ-FQEVSTJZSA-N 407.426 2.520 0 50 HFAA CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1)c1ccccc1 170615783 TVOMNAOEPPKSHP-HNAYVOBHSA-N 418.515 2.798 0 50 HFAA CN(Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1 299783245 ZBMRINVWWRJMTM-HSZRJFAPSA-N 418.545 2.655 0 50 HFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C1)CC2 1704301191 OCUVXTPZNHOFRO-XMMPIXPASA-N 405.546 2.657 0 50 HFAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCCNc3ncccn3)c2o1 1772491281 OLYORGHXDXTFEM-UHFFFAOYSA-N 404.426 2.922 0 50 HFAA CSCC(=O)N1C[C@H]2CN(C(=O)Nc3cc(C)ccc3C)C[C@]2(CN(C)C)C1 1772811015 RTGGQZAAXPRZJD-UWJYYQICSA-N 404.580 2.520 0 50 HFAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 713404 CCEKMTGDSQWNCB-UHFFFAOYSA-N 418.500 2.695 0 50 HFAA COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC 1135285 BHFAHTBPNUIZOQ-UHFFFAOYSA-N 416.858 2.901 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1C 4413950 OQRKMFLEYCAMGI-SFHVURJKSA-N 417.531 2.506 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3(C(N)=O)CC3)cc2)c1 12297423 KSONDICJHDPZOJ-IBGZPJMESA-N 407.470 2.557 0 50 HFAA CN(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCCN1CCCCC1 12455948 ATGBETLJXRKIHH-XZOQPEGZSA-N 400.611 2.821 0 50 HFAA c1csc(CNc2nc3nonc3nc2N2CCC(N3CCSCC3)CC2)c1 12759011 GKCPAMFGMZFLKL-UHFFFAOYSA-N 417.564 2.704 0 50 HFAA CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2)C(C)C 14987622 FKPRJMJKGSAUPO-HXUWFJFHSA-N 415.563 2.678 0 50 HFAA COc1ccc(-c2cc(C(=O)NCC(C)C)cc(-n3cnnn3)c2)c(OC)c1OC 14987655 ISJULZRJMRYMDI-UHFFFAOYSA-N 411.462 2.741 0 50 HFAA O=C(NCc1ccon1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 15064502 QWJIYWVFRQLTCI-UHFFFAOYSA-N 406.442 2.683 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccccc1Cl 32590151 NNUHIBRAMXSSGE-CTNGQTDRSA-N 419.928 2.974 0 50 HFAA Cc1c(O)nc(-c2ccc(CN3CCN(C)[C@H](CCO)C3)cc2)nc1C(F)(F)F 39467506 ISBNVMUXTPFXPW-MRXNPFEDSA-N 410.440 2.675 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C 77337819 CWUINVXKTWFQLB-ZBPHCFQXSA-N 409.511 2.705 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)c1 252539827 OLTRRGZKLNHJPT-LJQANCHMSA-N 420.469 2.947 0 50 HFAA Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(CN5CCOCC5)cn4)n3)cn2)n1 253431036 QBXIPMDGXQWQDP-UHFFFAOYSA-N 417.473 2.828 0 50 HFAA Cc1c(S(=O)(=O)NCCCN2CCC[C@H](O)C2)sc2ccc(Cl)cc12 670438231 WLHUUPFRESKHAL-AWEZNQCLSA-N 402.969 2.988 0 50 HFAA CC(C)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)n1 821483397 UECYOJIKFAGBEW-GFCCVEGCSA-N 406.464 2.683 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cc1 827848345 BPMLFLXYQUYGPL-SFHVURJKSA-N 404.507 2.553 0 50 HFAA CS(=O)(=O)CCC(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 952965237 QWYXWSZJHQKPJH-UHFFFAOYSA-N 400.544 2.869 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529134095 QWLWXCDZIYEFMW-OFNKIYASSA-N 417.509 2.803 0 50 HFAA O=C(c1cnc2ccccc2n1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857727485 UDAOYWWQSXMUGS-VIZSFHNOSA-N 400.438 2.544 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(Oc2ccccc2)cc1 889032 QSWXWRGAHABTJS-UHFFFAOYSA-N 411.483 2.956 0 50 HFAA Cn1ncc2c1ncn1nc(-c3ccc(Cn4cc(Br)cn4)cc3)nc21 2800368 ATDBDDODWBOPIN-UHFFFAOYSA-N 409.251 2.685 0 50 HFAA CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 3958530 UJJHJRHJIBQXFD-UHFFFAOYSA-N 408.527 2.857 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)sc2ncnc(NC3CC3)c12 12279665 QLXJEZQCCHUXHE-KGLIPLIRSA-N 421.526 2.995 0 50 HFAA O=S1(=O)CC[C@H](N(CCO)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12446263 ISALEOSCDOPNSJ-NRFANRHFSA-N 411.527 2.725 0 50 HFAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)o1 14749262 WYHWHJLAXZBUFL-QGZVFWFLSA-N 400.523 2.560 0 50 HFAA COC(=O)[C@@H](Cc1ccc(I)cc1)NC(=O)OC(C)(C)C 34173490 HNCUXLSIVYDGBW-GFCCVEGCSA-N 405.232 2.900 0 50 HFAA biogenic Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 36051260 OZKLVFXWIBSMBA-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1Cl 65362579 NAUURMRLSCFIIJ-UHFFFAOYSA-N 404.902 2.867 0 50 HFAA COc1ccc(C(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)cc1 169777123 WPFMUNALFZWROZ-UHFFFAOYSA-N 418.453 2.610 0 50 HFAA CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C[C@@]2(CCOC2)O1 225443065 ITUBKFWUIJNTPR-PXDATVDWSA-N 422.525 2.824 0 50 HFAA Cc1cccc([C@@H](NC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)O)c1C 225486741 LJVOHGMCOSHAFZ-QGZVFWFLSA-N 405.476 2.501 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3ccc(OC)cc3)CC2)nn1 244716088 LIEWIHJERKZOFB-HDICACEKSA-N 413.522 2.611 0 50 HFAA COc1cc(Br)c(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc1O 253426446 VGOSPCAPXYTCAO-LLVKDONJSA-N 411.300 2.734 0 50 HFAA COc1cccc(C[C@@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c1 299764413 SMIZHVLYILUQFW-YADARESESA-N 424.497 2.623 0 50 HFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704342006 BIKOOEIARLLXDX-QHCPKHFHSA-N 404.518 2.868 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccc(Cl)cn2)cn1 1857723941 DHWFSDZTVKIICZ-OALUTQOASA-N 403.914 2.537 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-n2ccnc2)nc1 1875264664 ISFIKUBQZTVQGX-IBGZPJMESA-N 404.430 2.543 0 50 HFAA Cc1ccc(Cn2cc(CC3(C(=O)O)CCN(C(=O)[C@H](C)C(C)C)CC3)nn2)o1 1875356356 UQASSNAWKVOPSI-MRXNPFEDSA-N 402.495 2.756 0 50 HFAA COc1c(F)cc(C(=O)N[C@H](C)CN(C)C(=O)C2(C)CC2)cc1Br 2325827269 AVRKPEPBAJLKPK-SNVBAGLBSA-N 401.276 2.974 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(F)cc2)cc1OC 798471 XPPBEZQALNPYRW-UHFFFAOYSA-N 422.478 2.661 0 50 HFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1cccnc1 1076807 QVCJJNGGYPUQIA-UHFFFAOYSA-N 417.531 2.696 0 50 HFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccncc1 1142873 NELWRDQFPCEUPN-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC(C)=O)c(OC)c3)N2C1=O 2246266 KNWAKBGUWLXKFF-DOTOQJQBSA-N 418.471 2.832 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1 2983263 XHHGICRKFOUSQV-FCHUYYIVSA-N 416.477 2.840 0 50 HFAA O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)NCCN1CCCc2ccccc21 11785618 OMLZZEYUCRYUJI-UHFFFAOYSA-N 421.476 2.844 0 50 HFAA COCc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 11821449 QAZWPSAQBZDDBH-IBGZPJMESA-N 401.482 2.992 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(C)o3)cc2)CC1 14975005 ZZJFIKUVELJBCM-HXUWFJFHSA-N 416.518 2.503 0 50 HFAA CCc1c(C)sc(NC(=O)COCC(=O)O)c1C(=O)Nc1ccccc1OC 17087320 ZKCGXMXKEPNBRY-UHFFFAOYSA-N 406.460 2.920 0 50 HFAA Cc1ccc(Cl)cc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccccc1 19809966 QQMABQUTFOQKNH-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2ccc(Cl)cn2)CC1 20999428 ZLSKQCKYQSZUTK-UHFFFAOYSA-N 410.909 2.922 0 50 HFAA O=C(Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccncc1 40395847 JILRDAQLPXYOQY-UHFFFAOYSA-N 417.816 2.539 0 50 HFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCC2)n1 65364386 LJYDQGJYKNWZOH-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)no1 77287145 STYPJDDTMOPAOV-CIEVZJJWSA-N 421.497 2.540 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)cc1 77376527 OGMVACLZIAPSLE-VAWZGJIGSA-N 407.470 2.743 0 50 HFAA Cc1ccn(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)n1 82230714 WVQUMDVPWZXFGJ-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COc1ccc(Br)c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 170591274 PJNJUBJFORUBAU-CXAGYDPISA-N 408.296 2.920 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccccc1 226930601 WMLIDXMCWWRYCP-FBAVSBLXSA-N 407.857 2.771 0 50 HFAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN21 248330788 GIOAWWPCSIQNBC-XMODTWTHSA-N 419.456 2.874 0 50 HFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 252536758 JMWWCDKFTJTNGL-MRXNPFEDSA-N 410.478 2.581 0 50 HFAA O=C(CCC1CCCC1)NCCS(=O)(=O)CCNC(=O)CCC1CCCC1 408516076 KSPVXGMPIGOGOE-UHFFFAOYSA-N 400.585 2.574 0 50 HFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 821783743 XDHAEYDQWUWUMH-QGZVFWFLSA-N 422.508 2.822 0 50 HFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2csc(-c3ncccn3)n2)n1 952986951 LTNZBRBOPQUANI-ZDUSSCGKSA-N 400.464 2.539 0 50 HFAA C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cccn2)C1)c1ccc(-c2ccncc2)cc1 1875258886 LYOAALNIEQEKTL-UWJYYQICSA-N 403.486 2.986 0 50 HFAA CCOCCN1C(=O)[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)c2ccccc21 2100539724 VSOVLLRYLDFAKV-HSZRJFAPSA-N 404.470 2.730 0 50 HFAA COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791672 SYNORVZKTPOYCB-GOSISDBHSA-N 402.516 2.721 0 50 HFAA COc1cc(NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)nc(OC)n1 4491767 HPXQFUARGFOSJK-UHFFFAOYSA-N 415.315 2.734 0 50 HFAA O=C(c1cn(C2CCN(Cc3ccccc3C(F)(F)F)CC2)nn1)N1CCOCC1 12150721 MDEUZIPCMBFBRX-UHFFFAOYSA-N 423.439 2.606 0 50 HFAA COC(=O)CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 12459017 YBZQGIVTFQXMRX-MRXNPFEDSA-N 416.503 2.786 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCc1cccc(F)c1)C2 14747603 OWHKTZIMCUYYCE-SFHVURJKSA-N 416.566 2.921 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1 14963764 QHCFVTPZSGQZPK-AWEZNQCLSA-N 410.396 2.761 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 18265551 ADVNQDACVRUXPK-IBGZPJMESA-N 414.889 2.964 0 50 HFAA CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1 33271343 OWFHFFPYNUIPLL-MRXNPFEDSA-N 403.446 2.881 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)CN1Cc1cccc(O)c1 55132991 MFYBFGRKJRZIFU-AEFFLSMTSA-N 422.403 2.957 0 50 HFAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCC(Cc2ccccc2F)CC1 55576247 IAAKRLKWFSAAJC-OAQYLSRUSA-N 413.493 2.591 0 50 HFAA Cc1noc(-c2cn(C3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)n1 169777328 WDIFEEOKJBKPJD-UHFFFAOYSA-N 417.267 2.876 0 50 HFAA COC(=O)c1cn(-c2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc2c(=O)[nH]nc1-2 253412350 QRTOWRHQPGFSTO-UHFFFAOYSA-N 405.288 2.577 0 50 HFAA CCOc1ccc(Nc2ncccc2C(=O)O[C@@H](C)CN(C)S(C)(=O)=O)cc1 786585926 GCRUYYDAYNODMC-AWEZNQCLSA-N 407.492 2.661 0 50 HFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1C 1506407795 JZYPFWYPNHREGX-SFHVURJKSA-N 408.564 2.613 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(O)c1)C2 1857682951 SAWOLYGKPZKNTJ-TXTKFYIRSA-N 402.535 2.648 0 50 HFAA COc1ccc(Cc2nc([C@H]3CC[C@@H](C(=O)O)C3)n(-c3cnn(C)c3)n2)cc1OC 1857714871 QFTYRDJNAPEDKC-LSDHHAIUSA-N 411.462 2.577 0 50 HFAA OCC1(CN=c2[nH]c(C3CC3)nc3c2CC[C@]32CCCN(Cc3ncc[nH]3)C2)CCC1 1875244541 NHKJXKBZHJDMHR-DEOSSOPVSA-N 422.577 2.554 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)CC1 1875365512 NCMWEAJPQIINGA-UHFFFAOYSA-N 415.387 2.789 0 50 HFAA COC(=O)[C@H](NC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(C)(C)O 1875383293 NWSJIONYGQHHAI-FQEVSTJZSA-N 415.486 2.613 0 50 HFAA O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1cnc(O)c2ccsc12 2325875326 OAFHFLKCLAVISN-UHFFFAOYSA-N 409.471 2.963 0 50 HFAA CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 657999 YMLKNBIKSWBEIN-ZSOIEALJSA-N 403.232 2.695 0 50 HFAA N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccc2c(c1)OCO2 780168 WFRCAMGEBHKJFW-HXUWFJFHSA-N 408.502 2.870 0 50 HFAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc2nccnc2c1 814419 NLKRGNCKUGWQFA-FQEVSTJZSA-N 409.471 2.699 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 1198909 GZLOWLMNGLPREA-GOSISDBHSA-N 406.479 2.625 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1 2983261 XHHGICRKFOUSQV-VXKWHMMOSA-N 416.477 2.840 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 10334739 JFEMANGXSOFMMJ-UHFFFAOYSA-N 417.531 2.723 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C(F)=C/c1ccccc1)CC2 12079871 CORRUUIPDBJAMU-KMTKGMGQSA-N 412.465 2.976 0 50 HFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12246428 ANDYEYJFXYXFNB-OAHLLOKOSA-N 423.517 2.930 0 50 HFAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC 13576712 CUYBOTPDTKDFGP-JYRVWZFOSA-N 405.457 2.835 0 50 HFAA O=C(c1cncs1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 20775452 VVZVWZTVOVWHJL-GOSISDBHSA-N 414.531 2.741 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2csc(C)n2)[C@@H]3C1=O 77470402 CJYXLLAPOMRECR-UGNRZPKXSA-N 403.548 2.628 0 50 HFAA Cc1ncn(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)c1C 82230643 ACAUZZJMXGFBCD-UHFFFAOYSA-N 415.501 2.652 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cc(OC)ccc1OC 242183870 XCQAOXHUZMZQBH-RBUKOAKNSA-N 404.507 2.785 0 50 HFAA CN(C)S(=O)(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 253419683 QXOUWIQBOIVZKV-UHFFFAOYSA-N 409.939 2.847 0 50 HFAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 491069336 PFFHETCYZGDERS-INIZCTEOSA-N 408.531 2.946 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 772856206 HIZOGCCHYPKULJ-HZPDHXFCSA-N 401.507 2.959 0 50 HFAA COc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)c(C)c1C 952972865 HCCLMPWXZZQQHD-UHFFFAOYSA-N 406.504 2.750 0 50 HFAA Cc1cccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)s2)c1 1529189865 ARDSALBJMWDYAV-QGZVFWFLSA-N 407.499 2.820 0 50 HFAA COc1cc(F)c(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c(F)c1 1857673447 IWLUDCJZRVIOMD-NRFANRHFSA-N 402.397 2.863 0 50 HFAA Cc1cc(C)c([C@H](CO)NC(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(C)c1 1875306311 ZXIYFPGNYIIHIX-MSOLQXFVSA-N 421.538 2.580 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@H]2CCCc3nn(C)cc32)CC1 1875386702 WYTPBZIGARQGBE-IBGZPJMESA-N 406.530 2.703 0 50 HFAA CN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1c2cccc(O)c2C[C@H]1C(=O)O 2325898533 JGVGHKRQYCXAOO-IEBWSBKVSA-N 409.442 2.746 0 50 HFAA CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2837834 MUXUKIVTKCAFRM-UHFFFAOYSA-N 404.488 2.749 0 50 HFAA COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 3792990 HJUAKZYKCANOOZ-OAHLLOKOSA-N 414.333 2.911 0 50 HFAA biogenic,investigational Cc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccc(Cl)cc1 4247656 KRBJHGREQHEGSR-UHFFFAOYSA-N 402.925 2.738 0 50 HFAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)ccc2c1 11874159 TUDWIXMBIOLKON-GOSISDBHSA-N 407.470 2.878 0 50 HFAA CCc1nc(C)ccc1OCC(=O)N(CC)CC1CCN(C2CCN(C)CC2)CC1 11874714 SOPGOWMILRSHTA-UHFFFAOYSA-N 416.610 2.986 0 50 HFAA CN(C)CCNC(=O)CCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 12000252 XFWVSTXZDGOALY-UHFFFAOYSA-N 401.530 2.681 0 50 HFAA C[C@@H](CCn1cccn1)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12589370 IXWPMMSKNJMOCW-KRWDZBQOSA-N 410.518 2.872 0 50 HFAA NC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 18222520 WJQMDYUQHGSZNX-SFHVURJKSA-N 409.511 2.667 0 50 HFAA Cc1nn(CC(=O)N2CCN3CCC[C@H]3C2)c2nc(C3CC3)cc(C(F)(F)F)c12 20614360 AUZOWAOIBUQUGS-AWEZNQCLSA-N 407.440 2.943 0 50 HFAA CCn1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1C 39485177 DYVCJFZJCBYAHD-OAQYLSRUSA-N 400.567 2.906 0 50 HFAA CCc1ccc(CN(C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)nc1 55575949 OCDBTRWRJRHDQY-UHFFFAOYSA-N 407.518 2.705 0 50 HFAA O=C(C1CC1)N1CCC(N2CCC[C@H](C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 71755510 TYVMVFMTMDKNTD-FQEVSTJZSA-N 410.562 2.686 0 50 HFAA Cc1cccc(CN2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)n1 104528174 WKVRTPUWSIMDJP-JOCHJYFZSA-N 409.509 2.988 0 50 HFAA O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(CN2CCOCC2)c1 110669854 FRPGXASDLSPSCL-UHFFFAOYSA-N 404.474 2.760 0 50 HFAA CCCn1c(CN2CCCC[C@@H](COC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 170597088 PYIFVKHWSPMNQD-QGZVFWFLSA-N 422.595 2.945 0 50 HFAA C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@H](CO)O1 170605398 OJCARWMCSSMDHJ-MLGOLLRUSA-N 407.264 2.858 0 50 HFAA C[C@@H](O)CN(C(=O)Nc1ncc(-c2ccccc2)s1)C1CCS(=O)(=O)CC1 170613496 HIQLFFDCAXKEIG-CYBMUJFWSA-N 409.533 2.602 0 50 HFAA NC(=O)[C@H](Sc1nnnn1Cc1ccccc1)c1ccc(Br)cc1F 170638475 XMJDCLDOLAXUBV-CQSZACIVSA-N 422.283 2.942 0 50 HFAA CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](CC)CN1CC(C)(C)O 225524548 FVMMINMOUJMXMZ-ZIAGYGMSSA-N 405.465 2.923 0 50 HFAA COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c1OC 245246790 NXPTVHLJCHFOBK-ZRGWGRIASA-N 424.375 2.808 0 50 HFAA Cc1ccccc1[C@@H](Cc1nc(-c2ccc(N3CCOC3=O)cc2)no1)NC(N)=O 761747757 BGMWWYOPYAEPGP-QGZVFWFLSA-N 407.430 2.954 0 50 HFAA C[C@H](CNC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)Oc1cccc(F)c1 1444910247 ZPSGJCDSYQPRLT-PUECVXPYSA-N 401.356 2.520 0 50 HFAA COc1cc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)ccc1OCCN1CCCCC1 1772809590 YLCBWIHXXCHZCX-ICSRJNTNSA-N 401.551 2.755 0 50 HFAA CC(C)OCCCc1nc(-c2cccc(S(C)(=O)=O)c2)nn1CC(C)(C)CO 1875349191 PSTUSDYTJNPIJQ-UHFFFAOYSA-N 409.552 2.725 0 50 HFAA COc1cc([C@@H]2c3cc4c(c(O)c3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 1637084 HLBPOYVRLSXWJJ-UZCIPKQKSA-N 414.410 2.624 0 50 HFAA biogenic,in-vitro CN(C)CCCNc1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C(=O)O 2835707 MRLCMERBNASOFI-UHFFFAOYSA-N 403.932 2.576 0 50 HFAA Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 8598862 WXCBZVPAQODBHM-UHFFFAOYSA-N 415.515 2.885 0 50 HFAA COc1cccc(CC(=O)N2CCOc3ccc(C4(O)CCN(C)CC4)cc3C2)c1 12025080 SOYZSXIWAADQJK-UHFFFAOYSA-N 410.514 2.572 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1 12213484 AGRDMCUCZURVGL-IRXDYDNUSA-N 413.518 2.546 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12745188 ZGQKLHDBKVNTBR-JOCHJYFZSA-N 401.482 2.906 0 50 HFAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)Cc1cscn1)CC2 14532637 QRPNUIDZVLCJON-UHFFFAOYSA-N 410.499 2.692 0 50 HFAA CCc1n[nH]c(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCN3CC)CC2)c1C 15078583 LPBRKBUNONUPNA-SFHVURJKSA-N 403.571 2.513 0 50 HFAA Cc1ccc(C)c(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)c1 20357142 LXSZHQQMCZFUSC-UHFFFAOYSA-N 420.513 2.695 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)nn1C 55211212 PTDFIGQXVKTLBG-LJQANCHMSA-N 401.942 2.809 0 50 HFAA CSc1ccc(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)cc1 64093828 CODKYAKKMJHCDK-FPOVZHCZSA-N 422.558 2.570 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 91518709 BPFGHKQXMIYNMO-INIZCTEOSA-N 401.470 2.754 0 50 HFAA COc1cc([C@@H](C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1OC 100695806 YJVHSWXCBZHYQR-GOSISDBHSA-N 416.382 2.648 0 50 HFAA CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N1CCN(c2ccccc2F)CC1 169765544 CVQHULKEVPJKRP-UHFFFAOYSA-N 408.477 2.542 0 50 HFAA Cc1nc(CC(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)c(C)s1 328605249 MWCQAZZFLOAGFO-INIZCTEOSA-N 403.552 2.567 0 50 HFAA Cc1cc(=NC(=O)c2sc(C)nc2-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159133 BUTAIJQWYAOEMG-HNNXBMFYSA-N 416.528 2.657 0 50 HFAA COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)c1 408525600 HQTGGQFWNLLFAB-GOSISDBHSA-N 406.232 2.879 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c(OC)c1 443147678 WKDYJORLMYDLFB-UHFFFAOYSA-N 401.444 2.777 0 50 HFAA COCCCOCC(=O)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952894526 RLHRZQFHRDQUSS-SFHVURJKSA-N 413.396 2.822 0 50 HFAA COc1ccccc1-c1noc(CCC(=O)N2CCCN(C(=O)c3ccco3)CC2)n1 1506400893 HECSPAFOYPYLEE-UHFFFAOYSA-N 424.457 2.646 0 50 HFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cc(OC)cc(OC)c1 1848444029 CXYIBAAYWCEYBP-QUCCMNQESA-N 401.415 2.673 0 50 HFAA Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(F)c1 2325819544 IGKAHGMGYOUXCW-CRAIPNDOSA-N 418.490 2.690 0 50 HFAA O=C(CCC(=O)N1CCOc2ccc(Cl)cc21)N1CCN(c2ccccn2)CC1 6797485 HWAFOQAYBQYJJC-UHFFFAOYSA-N 414.893 2.589 0 50 HFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC(=O)N(C)C)C1 11840431 KUQOTEVKLIIDTN-NRFANRHFSA-N 408.926 2.923 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2(c3ccccc3)CC2)cc1 12593379 WHZZJQKXTKFPFR-OAQYLSRUSA-N 407.514 2.581 0 50 HFAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 12835922 MUYJPBPACDJIAB-CYBMUJFWSA-N 412.392 2.682 0 50 HFAA O=C(c1cncs1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 20775455 VVZVWZTVOVWHJL-SFHVURJKSA-N 414.531 2.741 0 50 HFAA COCCn1cnc2sc3c(c2c1=O)CC[C@H](N1CCN(c2ccccc2)CC1)C3 20999841 IILPYTFGXOFJHV-SFHVURJKSA-N 424.570 2.784 0 50 HFAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21 43191162 ZTGJOFZDWOHVRU-RDGPPVDQSA-N 407.857 2.917 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N[C@H](C)CO)nc2c1=O 72423657 FEYNWIQZYJSKED-CQSZACIVSA-N 414.893 2.893 0 50 HFAA O=C(c1nccc2ccccc12)N1CC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778207 HNSYWHHTYRUWGK-HNNXBMFYSA-N 401.430 2.841 0 50 HFAA CC(C)[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 223225596 TYUMFUSXAPTHAA-LJQANCHMSA-N 405.462 2.646 0 50 HFAA COc1cccc(CCC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)c1 244787646 QASCZIDKPMGKMT-HDICACEKSA-N 413.522 2.658 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)CC(C)(C)C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 299760178 HQGVFMCODYDUHR-JTSKRJEESA-N 407.555 2.931 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@H](OCc2ccccn2)C1 952985781 DZZJTNMCDJHTEC-KRWDZBQOSA-N 404.488 2.613 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 1704298957 KZWGRRGXRPBDNL-UHFFFAOYSA-N 416.543 2.936 0 50 HFAA OCCOc1cccc(CN2C[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(CO)C2)c1 1772815422 QILGEQAZXAAONV-REWPJTCUSA-N 416.949 2.637 0 50 HFAA COc1cc(CN)ccc1Oc1ccc(C(=O)NCCc2noc(C)n2)cc1OC 1857685269 GIAFXXGIFBOOTF-UHFFFAOYSA-N 412.446 2.619 0 50 HFAA CO[C@@H]1CN([C@H]2CCc3c(F)cccc32)C[C@H]1NC(=O)c1occ2c1CCOC2 2325794186 ULTNKFUOGFPZEA-HSALFYBXSA-N 400.450 2.608 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1C 813985 FOOVWFXVPLUYLN-UHFFFAOYSA-N 416.543 2.763 0 50 HFAA COC(=O)c1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(C(=O)OC)c1 1186805 CHYRZKAYMJQSBZ-UHFFFAOYSA-N 420.874 2.969 0 50 HFAA OCCN(Cc1ccccc1)C[C@H](O)COc1c(F)cc(Br)cc1F 2940365 AJQMZRFUUSBXSX-HNNXBMFYSA-N 416.262 2.962 0 50 HFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccn1 4058172 MFZGHNQJILPDCG-UHFFFAOYSA-N 417.531 2.696 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 5069249 VTGHWZUHYAWLBY-WMZOPIPTSA-N 402.516 2.973 0 50 HFAA NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)CC1 13628260 IDTNNRVXVUPSGV-HOCLYGCPSA-N 421.423 2.881 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1ccco1)C2 14749999 HDKHKYXASQKAGU-KRWDZBQOSA-N 400.523 2.594 0 50 HFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)nn1 15071406 BCRXEMPMQCWCJO-QGZVFWFLSA-N 401.511 2.614 0 50 HFAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(CC)CC1)C2 23354184 XCVYPQYOYIBFHU-IBGZPJMESA-N 401.599 2.804 0 50 HFAA COc1ccc(OC[C@@H](O)CN(C)C)c(CNCC2(N3CCCCC3)CCCC2)c1 32516110 BATMBJSGKJQTPP-NRFANRHFSA-N 419.610 2.885 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)cc1 77376524 OGMVACLZIAPSLE-GJPOJAMWSA-N 407.470 2.743 0 50 HFAA O=C(NC1CCOCC1)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 92001363 XSVIMFFTUFXJNI-NRFANRHFSA-N 411.590 2.625 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 101087369 LBUOPJWILCUZND-SLEUVZQESA-N 401.326 2.520 0 50 HFAA CCc1ccc(N2C[C@@H](C(=O)OCCCN3CCN(C(C)C)CC3)CC2=O)cc1 225842766 AAXMNGQHLMQMSM-FQEVSTJZSA-N 401.551 2.561 0 50 HFAA O=C(CC1(n2cccc2)CCOCC1)Nc1cccc(N2CCCCS2(=O)=O)c1 253414661 YDEIKBFIIHYMIY-UHFFFAOYSA-N 417.531 2.953 0 50 HFAA O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(-c2nnc(C3CC3)o2)o1 670459163 XYAOEPCRCSFDNK-UHFFFAOYSA-N 403.464 2.678 0 50 HFAA CCn1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cn1 749217897 SFCIOWUXOAWEAC-UHFFFAOYSA-N 419.484 2.521 0 50 HFAA Cc1ccc(CC(=O)N2CCN(C(=S)Nc3ccc4c(c3)OCCO4)CC2)cc1 751028428 RGLVNVFOAAZSEB-UHFFFAOYSA-N 411.527 2.850 0 50 HFAA Cc1cccc(OCc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)c1C 951726568 BYNKYUQGWGORDX-CQSZACIVSA-N 421.548 2.521 0 50 HFAA COc1cc(CN2CCCN(c3ccncc3C)CC2)cc(Cl)c1OCC(N)=O 952976142 JNNCPHGQVCPTGX-UHFFFAOYSA-N 418.925 2.628 0 50 HFAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(C(=O)N2CCOCC2)cc1 952979944 QAOGGBHMIFQIMI-LJQANCHMSA-N 410.470 2.969 0 50 HFAA Cc1cc(C)n(Cc2ccc(N3CC[C@](Cc4ccccc4)(C(=O)O)[C@@H](O)C3)nc2)n1 1704325760 MZGSEJLDHPACDQ-XUZZJYLKSA-N 420.513 2.828 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)N4CCC(N(C)C)CC4)C3)nc2c1 1857674243 ZRHURLWGHRUDQM-INIZCTEOSA-N 400.523 2.996 0 50 HFAA COc1ccccc1[C@@H]1[C@H](C(=O)NS(C)(=O)=O)CCC(=O)N1c1ccc(C)cc1 1875391124 RXFMNMLBQMPZFD-YLJYHZDGSA-N 416.499 2.564 0 50 HFAA CC1(C)C[C@H](CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)CCO1 2100547325 FTGIFOZMZWOCQO-QGZVFWFLSA-N 416.566 2.504 0 50 HFAA Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cc(Br)co2)C1 2325826477 CAQFQAIZWUEUML-TVQRCGJNSA-N 410.268 2.781 0 50 HFAA COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 1115482 LKGOXFVBXUCXOZ-UHFFFAOYSA-N 417.314 2.939 0 50 HFAA Cc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(-n2nc3ccccc3n2)c1 1170854 BYOQCQRDIFGABI-UHFFFAOYSA-N 412.405 2.931 0 50 HFAA CN(Cc1ccon1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11815215 YHLDSJYPXAOKCN-QFIPXVFZSA-N 413.449 2.802 0 50 HFAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2cnc3ncnn3c2)cc1C 12072662 JLMHLDDVBWPNKB-IBGZPJMESA-N 401.474 2.663 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CCn2cnc3ccccc32)CC1)C1CC1 12316911 DTNWAWUMTUZBJZ-UHFFFAOYSA-N 406.490 2.835 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 12431438 DRQOPDXOTFTBLV-OAQYLSRUSA-N 420.561 2.887 0 50 HFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C1(C(N)=O)CC1 12457912 DHPXRMUUWWXZCZ-QGZVFWFLSA-N 407.518 2.508 0 50 HFAA Cc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)c(C)s1 12704677 KPBGCISJTFCRTA-OAHLLOKOSA-N 419.599 2.978 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14741469 LHMQAIQOOHHHAR-GOSISDBHSA-N 402.583 2.917 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(NC(C)=O)c3)n2)c(F)c1 49550866 VROUVIOMXVCSEL-UHFFFAOYSA-N 410.405 2.655 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CC1 55575510 HQXVFCUVIYURRC-GOSISDBHSA-N 417.554 2.836 0 50 HFAA O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 59367219 XQFWNRPTNHJHKH-IBGZPJMESA-N 405.498 2.784 0 50 HFAA CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 72437851 ROFZOLBRSQWWJM-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA O=C(NCCC1(O)CCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82106518 PHVDRKLJVQOTOC-NRFANRHFSA-N 414.594 2.569 0 50 HFAA CCNc1cc(C(=O)NC[C@]2(C)CCN(C(=O)c3ccnc(NCC)c3)C2)ccn1 225686482 BYRUSPWRYIBNNW-QFIPXVFZSA-N 410.522 2.622 0 50 HFAA C[C@H](NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1)c1ccc(S(N)(=O)=O)cc1 241869090 SUIXVCYZXCAEKA-DEYYWGMASA-N 407.561 2.798 0 50 HFAA CC[C@@H]1CN(CCNC(=O)Cn2cnc3ccccc32)Cc2cc(OC)ccc2O1 299776636 BICQQQGQNLLPGB-GOSISDBHSA-N 408.502 2.834 0 50 HFAA Cc1cc(=O)c(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3=O)C2)c[nH]1 426399214 LBCZQKURPWYSKF-XMMPIXPASA-N 407.514 2.771 0 50 HFAA CC(C)n1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3Cc2ccc(F)cc2F)n1 1704324539 AUDGMKVNYXBTNL-QAPCUYQASA-N 404.461 2.715 0 50 HFAA CC(=O)N1C[C@@H]2CN(C(=O)c3cc4ccc(Cl)cc4n3C)C[C@]2(CCC(=O)O)C1 1772814292 RBDIAEZAXSHLSM-VFNWGFHPSA-N 417.893 2.617 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 831317 JKKMBTRCIVULLL-LVSKKATPSA-N 404.491 2.717 0 50 HFAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccco2)cc1 4626158 IRYFNLVKNKHTGM-UHFFFAOYSA-N 403.442 2.612 0 50 HFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-n2cnnc2)cc1Cl 6703480 OEOKOBRSWRGYRA-UHFFFAOYSA-N 411.849 2.645 0 50 HFAA Cc1nc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)N2)nc2ccccc12 9042959 JDBPNCSZIHLCFS-MRXNPFEDSA-N 408.849 2.887 0 50 HFAA CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11661105 AAZYLYUJYSHXJE-JOCHJYFZSA-N 413.562 2.879 0 50 HFAA COc1ccc(CNC2CCOCC2)cc1OC[C@@H](O)CN1CCCCCCC1 11717846 MJVNHPNRVCYSRI-NRFANRHFSA-N 406.567 2.970 0 50 HFAA COc1ccc(C(=O)NCCCn2ccnc2)cc1OC1CCN(C(C)C)CC1 12301704 ACIGXTODXSXKMG-UHFFFAOYSA-N 400.523 2.963 0 50 HFAA CCc1nc(C)c(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 12307358 HPXXIFYQJJWNHZ-QGZVFWFLSA-N 400.523 2.696 0 50 HFAA COC(=O)CCC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(OC)cc(OC)c2)C1 12744215 WDFNYKLXBPAUGY-HNNXBMFYSA-N 406.479 2.614 0 50 HFAA CC(C)CC[C@@]1(C2CCN(C(=O)C3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 14883286 RKHSRTTYQTXXEO-QHCPKHFHSA-N 412.534 2.957 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1OC 14988489 OMFIFZAXBDFQIV-GOSISDBHSA-N 423.444 2.962 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cnccn3)cc2)n1 15067463 IZHGKWWYZXVLCV-HXUWFJFHSA-N 404.474 2.913 0 50 HFAA CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccco3)CC2)sc(C)c1C 20168041 YXNKCDGUYZCBOU-UHFFFAOYSA-N 405.520 2.891 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(OC)c(O)c3)C[C@@H]2CCO)cc1C 20256204 QPCSLGIPVANGSB-FQEVSTJZSA-N 400.519 2.787 0 50 HFAA Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1 20452137 UUSCNXCKOPEGFS-QFIPXVFZSA-N 405.631 2.822 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 67603966 PBPDHBVGEAESTF-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA Cc1cccc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)n1 82096934 FOAJMLAMRFDNES-NRFANRHFSA-N 407.562 2.778 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 82098214 JDLVIEDJQXSVRR-OAQYLSRUSA-N 408.546 2.780 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2ccc(C)o2)c1 95515221 DTSVJACZIMDINY-UHFFFAOYSA-N 400.475 2.959 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCCNCC2)c1 95521774 BQMPXXBXJJKTPZ-UHFFFAOYSA-N 401.551 2.917 0 50 HFAA CCCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[nH]c1=O 96318673 RJFHYABRPJLWNP-CYBMUJFWSA-N 407.879 2.814 0 50 HFAA CCCn1c(CCC(=O)N2CC(C)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 170617792 FDIQDEVHQHCWKF-UHFFFAOYSA-N 420.579 2.888 0 50 HFAA CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[C@H](C)C1 253417714 AJIWWRUQQILUDT-QGZVFWFLSA-N 401.532 2.962 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3cccc(O)n3)csc2C1 426374433 VATORFYNIJHWFN-UHFFFAOYSA-N 412.515 2.984 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1OC 426677924 GKIUJBYJDXBLGL-HSZRJFAPSA-N 410.518 2.690 0 50 HFAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 428858534 XZNMEOYTGVOLQM-MRXNPFEDSA-N 416.279 2.550 0 50 HFAA Cc1nnc(SCC(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 1506411774 UPTKZPCIQAUFQH-KRWDZBQOSA-N 420.510 2.895 0 50 HFAA Cc1cc2c(SCC(=O)N[C@H]3COC[C@H]3Cc3ccncc3)ncnc2s1 1704280522 SBAJHCUIBODFQG-ZBFHGGJFSA-N 400.529 2.861 0 50 HFAA Cc1nc[nH]c1CN1C[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@]2(CCc2ccccc2)C1 1772815794 XIZLVOPFLLESKY-DENIHFKCSA-N 414.575 2.577 0 50 HFAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccccc1)CC3 1775980474 YDKGFKARTFNZOW-QFIPXVFZSA-N 416.481 2.570 0 50 HFAA O=C(O)[C@@H]1CN(C(=O)c2cccc(F)c2)CC12CCN(Cc1nccs1)CC2 1857694139 BVSYUJJOSFKQIE-INIZCTEOSA-N 403.479 2.721 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(CC(F)(F)F)CC1 1857727937 GLHWFGPCTVFPFP-CQSZACIVSA-N 411.428 2.536 0 50 HFAA COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)cc(OC)c1O 771855 PDGMWMPMYJLDFI-KXBFYZLASA-N 423.494 2.964 0 50 HFAA NC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1125153 XZJAEQFWNRBTFM-UHFFFAOYSA-N 411.483 2.741 0 50 HFAA CN(C)C(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 1147448 QCOKSZIPXAMGGU-UHFFFAOYSA-N 401.311 2.733 0 50 HFAA COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(N)=O 1425834 BVGCIUUKTKDMIS-RQZCQDPDSA-N 416.430 2.935 0 50 HFAA CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 9268946 FJKQFIUUNACKFL-GOSISDBHSA-N 404.488 2.795 0 50 HFAA CC[C@H]1CN(CCNC(=O)c2cccc(C(=O)OC)c2)Cc2cc(OC)ccc2O1 12048513 ALERHYKVKJVCRX-IBGZPJMESA-N 412.486 2.885 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1 12213482 AGRDMCUCZURVGL-SJORKVTESA-N 413.518 2.546 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)CCc2cn[nH]c2)n1CCCc1ccccc1 15065914 IXEYCUWWLCGHPT-UHFFFAOYSA-N 415.563 2.707 0 50 HFAA CCN(C[C@H]1CCCO1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19227047 DILBDQNJEBOPEP-HXUWFJFHSA-N 412.534 2.634 0 50 HFAA Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)cc3)n2)cc1 20394199 QWWGSFLTSNNXIA-UHFFFAOYSA-N 414.849 2.623 0 50 HFAA Cn1cc(CCNCc2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc2)cn1 20451601 ANZJDGOQWQYWKM-DEOSSOPVSA-N 420.557 2.550 0 50 HFAA CCn1cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cn(CC)nc2C)cn1 20615080 MKSILBPGTVOYHK-UHFFFAOYSA-N 405.499 2.958 0 50 HFAA CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 36007107 JRFRINFWRXAJRQ-UHFFFAOYSA-N 417.531 2.664 0 50 HFAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)c1 77470657 UIBXAYPFVVQVSN-FUCAVZNHSA-N 416.477 2.520 0 50 HFAA CCCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cc1 95380442 QQOSWTDUDHREDU-RTWAWAEBSA-N 401.551 2.582 0 50 HFAA CCNC(=O)c1cccc(NC(=O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 170651037 MTTUJAIRHOYORN-HBIPHATFSA-N 401.532 2.805 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)C2C(C)(C)C2(C)C)CCO3)CC1 299786838 PWFVZSHSHMSRBL-UHFFFAOYSA-N 413.562 2.754 0 50 HFAA COCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C3CCC3)CC2)C1=O 299792685 GLBVKXAZVFNADV-QFIPXVFZSA-N 403.498 2.570 0 50 HFAA Cn1cc(-c2nc3ccccn3c2NC(=O)NCCCNC(=O)c2ccccc2)cn1 465276951 UUUXGFICMKSJQS-UHFFFAOYSA-N 417.473 2.676 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088379 TVKNEPZVYDVUHM-CNNODRBYSA-N 406.530 2.891 0 50 HFAA CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)c2ccc3c(c2)OCO3)[C@H]1C1CC1 2325873016 VPLQPASMFXKQKI-REDKUUPNSA-N 414.502 2.774 0 50 HFAA CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 1149968 HITVUDRGMLEJOA-UHFFFAOYSA-N 423.922 2.883 0 50 HFAA Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 4624327 ZQMORDZHWJPBRJ-UHFFFAOYSA-N 403.417 2.790 0 50 HFAA CCOc1cc(CNCCO)c(Cl)cc1OCC(=O)NCCc1ccccc1 4670914 ZAEWCSQWPTWQTL-UHFFFAOYSA-N 406.910 2.558 0 50 HFAA COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N1CCOCC1 9063840 CYAUOBNYRSEURR-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1C 11697866 OAVJWKWQIXRARK-UHFFFAOYSA-N 412.519 2.931 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCCOC(C)C)cc2)CC1 12453898 RWRPKLZSNQPOSK-UHFFFAOYSA-N 406.523 2.638 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N[C@@H](CO)C(C)C)CC2)CC1 12715157 CKFONHYFXKWNQW-QHCPKHFHSA-N 401.595 2.805 0 50 HFAA CC(C)Cn1cc(C(=O)NCCc2ccccc2F)c(=O)c(C(=O)NC(C)C)c1 14991200 YCLFEQZRJWQLAN-UHFFFAOYSA-N 401.482 2.754 0 50 HFAA CC(C)Cn1c(CN2CCCC[C@@H]2CO)cnc1S(=O)(=O)Cc1ccccc1 15074656 VLZCQMSMDKRFRX-LJQANCHMSA-N 405.564 2.860 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1ccccc1 20345137 ITVIADYTMXZPRA-UHFFFAOYSA-N 419.412 2.830 0 50 HFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530921 UQZXPVZWTJLEDE-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA C[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1cccc2ccccc12 72441421 NSMQWOMEEYHHBY-XLIONFOSSA-N 417.575 2.653 0 50 HFAA COCc1noc(CN2CCC3(CC2)CN(C[C@@H](C)c2ccccc2)C(=O)O3)n1 77520252 NRNATKYDFOQHEJ-MRXNPFEDSA-N 400.479 2.807 0 50 HFAA CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 225417260 YRVWEQQORGEBHY-LZNRXBQRSA-N 419.525 2.865 0 50 HFAA biogenic O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 247755502 ZEZHQHHWPOITSN-ARFHVFGLSA-N 409.511 2.954 0 50 HFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1(N2CCOCC2)CCCCC1 1529120931 UPXVLXBZBAFBSB-OFNKIYASSA-N 423.557 2.944 0 50 HFAA COc1ccccc1Cc1nc([C@H]2CCCN(C(=O)CO)CC2)n(C(C)(C)C)n1 1772808308 MJKDTRXOVDSKJH-INIZCTEOSA-N 400.523 2.721 0 50 HFAA C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)NC(=O)NC1=O 1875330611 VIKIRKUYCBOBNM-SGTLLEGYSA-N 410.396 2.571 0 50 HFAA COC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC3)n(-c2ccccc2)n1 1875336841 NWTOYMYKTBEMCT-UHFFFAOYSA-N 404.426 2.587 0 50 HFAA O=C(NCCCN1CCCCC1=O)c1cc2ccc(Br)cc2c(O)n1 1875359739 OLSYMKACHJBTTG-UHFFFAOYSA-N 406.280 2.835 0 50 HFAA Cc1cncc(C(=O)NC[C@@H]2CC3(CCOCC3)CN2C(=O)c2ccc(C)c(O)c2)c1 1875361657 YCBRPTGPTQAJIN-FQEVSTJZSA-N 423.513 2.845 0 50 HFAA CCn1c(O)nc2cc(C(=O)N[C@H](C)c3cnn(Cc4ccccc4)c3)ccc2c1=O 2325705784 QGIMYWSMBLLHTC-OAHLLOKOSA-N 417.469 2.858 0 50 HFAA C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)Nc1cnn2cccnc12 2325818682 RLIMEKAYQFPCLF-CHWSQXEVSA-N 419.532 2.995 0 50 HFAA Cn1cnc2cc(C(=O)N3CC[C@@H](O)[C@](CCCc4ccccc4)(C(=O)O)C3)ccc21 2356151588 OYHDVWSHKWJOPB-ZJSXRUAMSA-N 421.497 2.874 0 50 HFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 1127894 XJOYEIVBZVRFAU-QGZVFWFLSA-N 407.207 2.728 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1OC 1158442 SNBSPHUMSHZHLI-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2866802 NJXUIMGIMYQBQF-UHFFFAOYSA-N 404.488 2.806 0 50 HFAA Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1cccnc1 6714830 KGSZEXQBMGSTHV-UHFFFAOYSA-N 405.281 2.765 0 50 HFAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cccs2)CC3)c1 11995464 WJLSKKDGAXLSJG-OAHLLOKOSA-N 411.531 2.898 0 50 HFAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cnn(C)c2)c1=O 12004560 DZXFRWKQBZXEKZ-UHFFFAOYSA-N 413.522 2.547 0 50 HFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12304679 RIHNNCKKUHFSIK-LJQANCHMSA-N 417.513 2.911 0 50 HFAA COCCN(C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C)C(C)C 14993283 VRIUVXDCYPXXCQ-UHFFFAOYSA-N 423.473 2.863 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2ccc(O)c(OC)c2)C[C@H]1CCO 104555345 XPVIKRPLURZNEB-HXUWFJFHSA-N 400.519 2.868 0 50 HFAA CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 115875593 BIEXDVVZCIJGBL-RTBURBONSA-N 421.497 2.959 0 50 HFAA Cc1ccccc1OCC(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12 169776090 NFZDMWFGBZXWGD-UHFFFAOYSA-N 404.430 2.660 0 50 HFAA CC(C)[C@@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 223215404 DYEIXLCYPZNMMJ-LJQANCHMSA-N 405.458 2.848 0 50 HFAA COc1ccc(-c2cc(=NC(=O)c3ccccc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158522 SSWSZLHQVNFMQW-KRWDZBQOSA-N 411.483 2.593 0 50 HFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN2C(=O)OCC[C@@H]2C1 764486928 WBKHZTTZWFJWEI-GOSISDBHSA-N 403.442 2.601 0 50 HFAA COc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)[C@H](C)C2=O)cc1 1506407642 TXZQAXKOEOSNPC-MRXNPFEDSA-N 418.515 2.747 0 50 HFAA O=C(OCc1noc(-c2cccc(Cl)c2Cl)n1)c1cnn2cc[nH]c(=O)c12 1875339077 VLWMKXKRLSBWGF-UHFFFAOYSA-N 406.185 2.736 0 50 HFAA CNC(=O)c1cnc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)s1 1875354333 DTWYTNVLICHKFQ-UHFFFAOYSA-N 407.517 2.618 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4c(nc3O)CCCC4)C1)CC2 2356154884 ODPBKMDTWZZHNH-HSZRJFAPSA-N 407.518 2.642 0 50 HFAA CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1 1811698 VCGKDKBCSLTWKS-UHFFFAOYSA-N 409.518 2.924 0 50 HFAA CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc2c1CCN(C)C2 2890275 AFKBJYYIXJBBNK-UHFFFAOYSA-N 412.562 2.803 0 50 HFAA CC[C@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)N2CCOCC2)C1 6489709 VQEQGNLHGAAAHT-ZDUSSCGKSA-N 402.520 2.721 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccco3)n2CC)n1 8620168 YVFZQGVWQHMSHX-UHFFFAOYSA-N 421.504 2.851 0 50 HFAA COCCCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 11818351 CJVZLKKIWBTLHP-UHFFFAOYSA-N 401.595 2.948 0 50 HFAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)CCn2ccc(C)n2)O3)n1 11881871 VBICQUHCQATAIC-GOSISDBHSA-N 409.465 2.914 0 50 HFAA CSCC[C@H](NC(C)=O)C(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 11909570 PUFOBCXXFSVLKM-MJGOQNOKSA-N 413.543 2.735 0 50 HFAA O[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[C@H]1N1CCN(c2ccccn2)CC1 11949187 QWNCIRZGTJKOIP-MUBWQAHESA-N 412.965 2.919 0 50 HFAA COc1ccc(NC(=O)CN2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 20407842 BXVHXDXSCHILOW-UHFFFAOYSA-N 421.497 2.866 0 50 HFAA CCN1CCN(C[C@H](O)COc2ccc(CN(C)C3CCCCC3)cc2OC)CC1 22852813 RZRKBMIFXBIMFR-QFIPXVFZSA-N 419.610 2.837 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccncc2C)n1C[C@H]1CCCO1 55037114 VIVYBYUYNIAIOX-LJQANCHMSA-N 406.552 2.581 0 50 HFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CSc3ncccn3)C2)CC1 55073901 UFOJBGSFYJJNQG-IBGZPJMESA-N 411.575 2.690 0 50 HFAA CCc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 65363800 GLFLCOSXJSFSHM-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 82098213 JDLVIEDJQXSVRR-NRFANRHFSA-N 408.546 2.780 0 50 HFAA COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)ccc2s1 223281605 IRFTUZHNIKPBRV-UHFFFAOYSA-N 404.469 2.896 0 50 HFAA COc1cc(I)c(Cl)cc1CNC(=O)c1cnsn1 225468003 QFWLLNKALUFVKC-UHFFFAOYSA-N 409.636 2.735 0 50 HFAA CN1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3Br)cn2)CC1 485459673 AESIMMQRHVESOO-UHFFFAOYSA-N 421.314 2.594 0 50 HFAA C[C@@H](C(=O)NCCc1nc(-c2cccnc2)n[nH]1)N1C(=O)c2cccc3cccc1c23 670467077 HXAIICDXWJAXLB-AWEZNQCLSA-N 412.453 2.728 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 952988209 OUWVHZLZQJKWDF-IBGZPJMESA-N 405.458 2.909 0 50 HFAA CN(Cc1nncn1C)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857699872 BOLHBLNBFMXXQE-CYBMUJFWSA-N 402.886 2.875 0 50 HFAA O=C(c1cnc(O)c2ccccc12)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857734032 ASTWKZVSQOVFMD-REHUZNOOSA-N 415.449 2.855 0 50 HFAA O=C(c1ccc(-c2cc[nH]n2)s1)N1CC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 2325872149 KJDXYLGIRJTQGC-CQSZACIVSA-N 405.476 2.966 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)N3CSC[C@H]3C(=O)NC(C)(C)C)ccc21 2325889708 KLGJVXRGQNUNOO-KRWDZBQOSA-N 401.532 2.582 0 50 HFAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 1102430 ZRKQXPKJOAKIAA-UHFFFAOYSA-N 404.872 2.602 0 50 HFAA NC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2560801 VJZUCXPETVPQIB-IBGZPJMESA-N 411.458 2.817 0 50 HFAA biogenic,in-vitro CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 2706944 DRAXLEMSSCTXGB-NSHDSACASA-N 415.705 2.713 0 50 HFAA CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 4753495 ODWDRUKPGHUSEU-HXUWFJFHSA-N 421.453 2.869 0 50 HFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1ccccn1 11788761 LHDJCSQWNVOLBM-UHFFFAOYSA-N 417.469 2.586 0 50 HFAA COc1cccc(Cc2nc3cccnc3n2C2CCN(C(=O)C(C)(C)O)CC2)c1 11912497 KKWVAJFWEWSTHM-UHFFFAOYSA-N 408.502 2.965 0 50 HFAA CCN(CC)CC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2OC)C1 14951620 XHDNWSWSAQGAJP-OAQYLSRUSA-N 418.626 2.639 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)cc(OC)c1 23372950 DTGIUVJLLXMWJU-IBGZPJMESA-N 418.509 2.920 0 50 HFAA CC1CCN(c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)CC1 61717915 NFOAMHXROAPBNL-UHFFFAOYSA-N 424.530 2.561 0 50 HFAA Cc1cc(=O)oc(C)c1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 65403388 ATVIQBXOEAJMSE-UHFFFAOYSA-N 406.442 2.752 0 50 HFAA Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)n1 67629554 VUMHLDCFBNIDJX-UHFFFAOYSA-N 417.513 2.737 0 50 HFAA Cn1cnc(S(=O)(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 91896134 BUXXUZLMNAUTJX-MRXNPFEDSA-N 403.483 2.737 0 50 HFAA Cc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(-c2ccc(F)cc2)n1 169752703 DISHXYXQKWEEGV-UHFFFAOYSA-N 424.451 2.846 0 50 HFAA C[C@H](C(=O)Nc1nc(CCNC(=O)[C@H](C)C2CCOCC2)cs1)C1CCOCC1 170615896 ABLHRZBITVNRMJ-CABCVRRESA-N 423.579 2.866 0 50 HFAA CSc1ccc(C=c2sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 254554986 NPOAYPDOMINIRG-INIZCTEOSA-N 409.492 2.933 0 50 HFAA CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2cnccn2)CC1 303557203 WKWXRENNRGHRSY-UHFFFAOYSA-N 401.942 2.937 0 50 HFAA CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 485823005 USFURWSBJXRMHZ-GFCCVEGCSA-N 402.451 2.615 0 50 HFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCN(c2ncnc3ccccc23)CC1 827654440 LFIPCGUGPMKDAL-NRFANRHFSA-N 402.502 2.511 0 50 HFAA CSCC[C@H](C(=O)N1CCc2ccccc2C1)n1c(O)nc2ccccc2c1=O 888089429 BSMWQJVCHIWQEU-LJQANCHMSA-N 409.511 2.981 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1cn(CC[C@@H]2CCCCN2)nn1 952973053 XHNFDOOKAMVRHW-INIZCTEOSA-N 407.478 2.534 0 50 HFAA CCOc1cc(CN(CCN(C)C)C[C@H]2CCCO2)ccc1OCCn1ccnc1 952978454 CKPDNUSVGNMSDR-OAQYLSRUSA-N 416.566 2.903 0 50 HFAA Cc1c(CN2CCc3nc[nH]c3[C@H]2c2cccnc2)c(=O)n(-c2ccccc2)n1C 1506421940 LTEGNUXTFMJSJX-JOCHJYFZSA-N 400.486 2.750 0 50 HFAA CCc1nc(CN2CCOC3(CCN(C(=O)c4ccco4)CC3)CC2=O)cs1 1857684263 FVVYKEWGYLUBDP-UHFFFAOYSA-N 403.504 2.722 0 50 HFAA C[C@@H](C(N)=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC2CCC2)CC1 1857692555 KGGOZNZJDFLCQN-INIZCTEOSA-N 405.546 2.684 0 50 HFAA COc1cc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc2c1OCO2 1857710926 BHAGQYGSNHQOJP-WGGBDISSSA-N 408.454 2.698 0 50 HFAA NC(=O)c1ccc2[nH]cc(C3CCN(CCn4cnc5ccccc5c4=O)CC3)c2c1 1875259179 DOHSBRLMYGDJQN-UHFFFAOYSA-N 415.497 2.856 0 50 HFAA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)n2nnnc2N1 646469 JHMBARYIEQUXDS-KRWDZBQOSA-N 410.821 2.983 0 50 HFAA CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 882585 OMJWHTFEYSUOAP-LJQANCHMSA-N 418.515 2.576 0 50 HFAA Cc1ccc(CNc2ncnc3sc(C(=O)N4CCC[C@H](C(N)=O)C4)c(C)c23)o1 12132233 PSUDQTMWPALCRC-ZDUSSCGKSA-N 413.503 2.851 0 50 HFAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCO3)CC2 14533568 JFNBTJXUNCPRIA-UHFFFAOYSA-N 421.497 2.887 0 50 HFAA Cc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)n1 14980595 YXMHECKAMFXZNS-QFIPXVFZSA-N 402.498 2.550 0 50 HFAA COc1ccc(OC)c2nc(N3CCOCC3)c(CNCC3(O)CCCCC3)cc12 19744457 GESRBBIGBLRIJY-UHFFFAOYSA-N 415.534 2.873 0 50 HFAA CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 20911228 PFHFDWBTTITYDQ-UHFFFAOYSA-N 411.531 2.624 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N3CC[C@@H](N(C)C)C3)CC2)CC1 55072830 YLQKHEALYBWQCA-XMMPIXPASA-N 412.622 2.834 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3c(Cl)cccc3C2)o1 67879530 AUIKBSQILFQJKD-IBGZPJMESA-N 401.894 2.517 0 50 HFAA Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCN(C)CC1 96027803 YBSDNYBRXDRBOQ-UHFFFAOYSA-N 401.532 2.800 0 50 HFAA O=C1NCN(c2ccccc2)C12CCN(S(=O)(=O)c1ccc(Cl)s1)CC2 107067901 RYWWSVHLSVFIIG-UHFFFAOYSA-N 411.936 2.519 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(Cl)cc1 169752518 PEXMHRYGGSDDOT-UHFFFAOYSA-N 408.845 2.947 0 50 HFAA CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCCN12 252430762 INAWKYYRGFLTDR-XHOYROJHSA-N 401.466 2.532 0 50 HFAA Cc1ccccc1-n1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)nn1 487488507 VPQWSLBHOWEWNJ-IBGZPJMESA-N 416.445 2.583 0 50 HFAA CC1CCN([C@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C(C)C)CC1 498358605 GBTJLKQVPNVZDK-OAQYLSRUSA-N 421.607 2.885 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)Nc1ccccc1CN1CCCC1 952978940 GBYMFTRCCOSCOB-QFIPXVFZSA-N 424.520 2.751 0 50 HFAA COc1ccccc1Cc1nc([C@@H]2CN(C)CCO2)n(-c2cccc(C(=O)O)c2)n1 1857718798 UCMVYMZDGSLTIJ-IBGZPJMESA-N 408.458 2.568 0 50 HFAA COc1ccc(-c2ncc(CN3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)cn2)cc1 1857737995 MOZLAWLTLNRSSD-MZKRTTBSSA-N 408.502 2.710 0 50 HFAA CCOc1ccc(CC(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1 1857741585 ZHKCOJGVMMYBFY-IMSXRSKXSA-N 406.482 2.929 0 50 HFAA CSCC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1nc2ccccc2[nH]1 1875326635 GUGYPDCSHHGCQV-KRWDZBQOSA-N 401.536 2.862 0 50 HFAA CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@]3(C(=O)O)CC=CCC3)n2)cc1 1875343193 UDHFKAABFYLCRM-GOSISDBHSA-N 421.500 2.931 0 50 HFAA Cc1cc(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c2cc(C(=O)O)[nH]c2c1 1875355979 IZZCDXRKGHPUJB-LJQANCHMSA-N 417.421 2.603 0 50 HFAA COCCN1C(=O)[C@@]2(CCN(C(=O)c3cnc4c(c3)CCCC4)C2)c2ccccc21 2100555243 NLPYOROZDHFDDW-XMMPIXPASA-N 405.498 2.737 0 50 HFAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1sccc12 2356136028 DGLHQQTXBJNVEX-ZDUSSCGKSA-N 403.529 2.648 0 50 HFAA CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21 602486 NBMBIEOUVBHEBM-UHFFFAOYSA-N 401.470 2.846 0 50 HFAA investigational COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 790924 NJGSAMCIIPNRBH-UHFFFAOYSA-N 413.455 2.909 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 957886 QMZGEOIUAOESAF-UHFFFAOYSA-N 413.503 2.609 0 50 HFAA O=C(c1ccc(F)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1104833 FPSSEQFVWNOKCQ-UHFFFAOYSA-N 412.852 2.987 0 50 HFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCCc4cccnc4)CC3)CC2)n1 11873408 UAUSZZJUKXZIIV-UHFFFAOYSA-N 421.589 2.820 0 50 HFAA COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2coc4c2C(=O)CCC4)O3)nn1 11996537 RNEUTVUVWGSXJT-HNNXBMFYSA-N 419.437 2.998 0 50 HFAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 12575257 OBWMSGWMNNDWGM-QGZVFWFLSA-N 423.448 2.604 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 13372561 IMKXAEVDHUDFDQ-NXWNEQKCSA-N 406.475 2.638 0 50 HFAA COc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 18254782 ZUYCCYVAPPVOCF-UHFFFAOYSA-N 409.515 2.921 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)CC1 20542016 XTLWVZOVNBAYFT-DEOSSOPVSA-N 411.594 2.614 0 50 HFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)n1 67629754 OTBQKELGRZWMIE-UHFFFAOYSA-N 420.517 2.808 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc(-n2cnc(C)c2C)n1 77134219 RPVJERHQOJECAK-UHFFFAOYSA-N 412.444 2.828 0 50 HFAA Oc1c([C@H](c2ccc(Br)cc2F)N2CCOCC2)sc2ncnn12 252478247 AGINKKWDTQDUKM-LBPRGKRZSA-N 413.272 2.820 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCn1ccc2ccccc21 252536745 JKXDNUQZNTWFPZ-LJQANCHMSA-N 404.470 2.863 0 50 HFAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253388514 XBVGEZBMGSZTNZ-YFVAEKQCSA-N 416.543 2.621 0 50 HFAA CCCc1ccc(N2C[C@@H](C(=O)N3CCOCC4(CCOCC4)C3)CC2=O)cc1 784752971 FOUSKNWXOSGGQO-IBGZPJMESA-N 400.519 2.648 0 50 HFAA O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 813399382 CJNQUUALYMWUFH-QGZVFWFLSA-N 424.831 2.959 0 50 HFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 952974058 PVDPEPHAMUQOMV-INIZCTEOSA-N 407.470 2.927 0 50 HFAA CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1cnn(-c3cccc(F)c3)c1)C(=O)C2 1565515838 YSWXIUWUBHZHAY-YWZLYKJASA-N 405.495 2.826 0 50 HFAA O=C1C[C@H]2N(Cc3cn(-c4ccccc4)nn3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857732648 ZMQZLJFTSMIRGK-XJUOHMSHSA-N 401.470 2.542 0 50 HFAA CCCCn1nc(CC(C)C)c2c(N3CCC(CO)(CN(C)C)CC3)ncnc21 2356151148 UNZDGEAQVMKVLD-UHFFFAOYSA-N 402.587 2.965 0 50 HFAA O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 858090 MMKIKYYBMRHEPS-DOTOQJQBSA-N 403.818 2.700 0 50 HFAA C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 1065522 AKAWSDYXINMMKY-SNVBAGLBSA-N 401.257 2.894 0 50 HFAA COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 1108587 HSNZHYDELFWVBO-UHFFFAOYSA-N 422.503 2.798 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)NC1CCCCC1 6715947 IOZPBOSFPAPXFC-UHFFFAOYSA-N 403.504 2.631 0 50 HFAA Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)NCCN4CCCCC4)nn3C)C2)c1 14531173 RBUABZPTNZZUMS-HXUWFJFHSA-N 409.578 2.591 0 50 HFAA Cc1nn(C)cc1CN1CC(=O)N(CC(C)C)C[C@H](OCc2cccc(F)c2)C1 14531847 BZFQQBFVSGISTE-OAQYLSRUSA-N 402.514 2.753 0 50 HFAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)Cc4ccccc4)[nH]c3=O)nc2s1 14993035 ZYAWFRXZBFFOJD-UHFFFAOYSA-N 421.526 2.955 0 50 HFAA Cc1nc2sccn2c1CN1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 15074984 RTFDBKBFHZQVCO-UHFFFAOYSA-N 401.580 2.659 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)NCCN3CCCC3)CC2)CC1 19225402 PNSOUNOYXNUHMA-UHFFFAOYSA-N 412.622 2.883 0 50 HFAA CCS[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77379630 OQAGXPARISMFEZ-AWEZNQCLSA-N 405.545 2.909 0 50 HFAA CCS[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77379631 OQAGXPARISMFEZ-CQSZACIVSA-N 405.545 2.909 0 50 HFAA Cc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169777961 RYGHMGGESOFWGY-LBPRGKRZSA-N 408.340 2.622 0 50 HFAA COC(=O)[C@H](CS(=O)(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 170610543 RQMLKUZOXRTGHU-GOSISDBHSA-N 402.472 2.512 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1nc(CCC2CCCC2)n[nH]1 252549966 RYAGRORJRNCXMB-JKIFEVAISA-N 406.556 2.592 0 50 HFAA COc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc3c2ccn3C)N=C1O 253535829 GJJOJBUZPUWJCZ-QGZVFWFLSA-N 406.442 2.841 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)CC3 491491272 DCJDQLRMYVLMAY-UPCLLVRISA-N 416.481 2.818 0 50 HFAA O=C(O)C[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)c2ccccc21 742029268 DQSYIMRDEVYMNO-ZDUSSCGKSA-N 401.419 2.779 0 50 HFAA CCCO[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 952987942 HLFBOOUAQNUKJK-LJQANCHMSA-N 418.534 2.974 0 50 HFAA Cc1cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)cc(S(N)(=O)=O)c1C 1506425724 QYUPXRSIJCQWHV-GOSISDBHSA-N 408.545 2.598 0 50 HFAA O=C(N[C@@H]1CCC[C@@H](NC(=O)c2cscn2)C1)c1ccc(N2CCCC2=O)cc1 1857694328 LHLSTZIZRTUFRQ-HZPDHXFCSA-N 412.515 2.741 0 50 HFAA O=C(NCc1ccc(C(=O)N2CCc3c(O)ncnc3C2)cc1)OCc1ccccc1 1875259317 YZZQTTYLSLVXMG-UHFFFAOYSA-N 418.453 2.807 0 50 HFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1875288346 XRAZTMFXJGWPMC-ABFRBSLYSA-N 416.485 2.710 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2S(=O)(=O)c1cccc(F)c1 2356166741 LVRPCZLJWVEYRP-HXUWFJFHSA-N 403.479 2.567 0 50 HFAA Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)N3CCOCC3)C2=O)cc1 1113651 IAGQKMMFSVWXBD-IBGZPJMESA-N 410.495 2.892 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 1166107 AZHBWIZQNJFDFT-AWEZNQCLSA-N 422.503 2.896 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1 2848321 IXBPRHVPROKSCA-UHFFFAOYSA-N 408.564 2.794 0 50 HFAA CCc1nc(C)c(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 12307357 HPXXIFYQJJWNHZ-KRWDZBQOSA-N 400.523 2.696 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](CCCO)C2)n1Cc1ccccc1 12313765 QFAPTRFVPOYMGE-GOSISDBHSA-N 405.564 2.710 0 50 HFAA CN(CCO)[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 12513033 FDXPZKPSNVNAFV-AWEZNQCLSA-N 403.935 2.941 0 50 HFAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 20599091 SNQQOKBEIDPPQY-HNNXBMFYSA-N 417.941 2.594 0 50 HFAA O=C(CCCn1cncn1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 20995879 UMYXNFBWROWXDI-JOCHJYFZSA-N 423.492 2.950 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)NCc2ccncc2)[C@H](c2ccccc2Cl)N1C 55088534 USEQJXMSZPYNQJ-MDKPJZGXSA-N 401.894 2.976 0 50 HFAA Cc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65365499 AYHOWVFKWYPATN-QGZVFWFLSA-N 404.474 2.590 0 50 HFAA Cc1ccc(Nc2cc(N3CCN(C(=O)c4snnc4C)CC3)nc(C)n2)cc1 67614014 WOROHIDXGFFZPQ-UHFFFAOYSA-N 409.519 2.959 0 50 HFAA CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 136289844 OGXLIUPUVFNLJA-IERDGZPVSA-N 422.547 2.569 0 50 HFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccccc1 169758000 JEDYIENZTAINNC-IBGZPJMESA-N 411.845 2.534 0 50 HFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 238046454 XRANBTSGCXCEDN-QGZVFWFLSA-N 416.359 2.938 0 50 HFAA CCCCCCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 248265312 NZMUYKFTJGDSLM-FDKIHUSFSA-N 410.507 2.761 0 50 HFAA biogenic Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1F 253431133 UBRVAJZEYDIJIV-INIZCTEOSA-N 405.495 2.971 0 50 HFAA Cc1cc(=NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)nc2nc(C(F)(F)F)[nH]n12 463243668 PNODIPJYSYFCIC-LLVKDONJSA-N 424.814 2.992 0 50 HFAA c1ccc(-c2ncc(CN[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cn2)cc1 952869496 MGJWIAQGJRMHFG-UMGQLZEVSA-N 411.553 2.801 0 50 HFAA CCN1C[C@H](CN(C)C(=O)c2ccc(-n3nc(C)c4ccccc4c3=O)cc2)CC1=O 952990620 WUICDJLIDSXJFC-KRWDZBQOSA-N 418.497 2.635 0 50 HFAA COc1ccc(-c2cc(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)no2)cc1 1460253628 SHONPARAIBBWDH-UHFFFAOYSA-N 415.471 2.531 0 50 HFAA O=C(Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3)N[C@H]1C=CS(=O)(=O)C1 2049513335 BJJBHSKDXXSUHC-AWEZNQCLSA-N 411.435 2.798 0 50 HFAA CC(=O)Nc1ccc(CC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2nn[nH]n2)cc1 2325871671 UPXDCNMHHXOREE-QGZVFWFLSA-N 418.379 2.625 0 50 HFAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ncc(F)cc2F)CCCN1 2356161945 QQSHXFRPUJWQIH-LJQANCHMSA-N 416.472 2.823 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(O)c(OCC)c1 997900 YTXGWZYBZNQHQJ-ZDUSSCGKSA-N 415.309 2.909 0 50 HFAA O=S(=O)(NCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1051281 HLSAADYNJCVPJA-UHFFFAOYSA-N 416.524 2.644 0 50 HFAA biogenic CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 2836354 KZCTUJLTGQDNBL-UHFFFAOYSA-N 419.478 2.824 0 50 HFAA COc1cc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc(OC)c1OC 2866191 KWDGDTGSWVSJMZ-UHFFFAOYSA-N 403.826 2.658 0 50 HFAA COc1ccc(CCN2C[C@@H](C(=O)NCc3nc4ccccc4n3C)CCC2=O)cc1 12305104 XLYICLRMRWSBKZ-SFHVURJKSA-N 420.513 2.679 0 50 HFAA O=C(NCc1cccc(N2CCCC2)c1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12439049 HFAZSUVAHLETHM-HXUWFJFHSA-N 406.530 2.779 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14743239 MTKNTKQGNCLTDE-QGZVFWFLSA-N 414.525 2.631 0 50 HFAA Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 14982532 FTFWNBBKOQNRMK-UHFFFAOYSA-N 408.481 2.943 0 50 HFAA O=C(NCc1ccon1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91625543 FWQZRJQEISYZRS-MRXNPFEDSA-N 409.490 2.813 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccccc4OC)CC3)n[nH]c2=O)cc1 169770694 YZIPEVZLYNIHRH-UHFFFAOYSA-N 422.485 2.657 0 50 HFAA C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1CC(C)(C)O 170602687 WROSTYAGENRUKJ-LBPRGKRZSA-N 419.747 2.785 0 50 HFAA O=C1c2cccc(N3CCN(Cc4ccsc4)CC3)c2C(=O)N1C[C@H]1CCCO1 200501499 KMAFBUGNBKURAZ-QGZVFWFLSA-N 411.527 2.845 0 50 HFAA Cc1nc2cc(N(CC(=O)NCC(=O)N3CCCC3)Cc3cccc(O)c3)ccc2o1 225671056 CESVSNOZPBZEEW-UHFFFAOYSA-N 422.485 2.587 0 50 HFAA Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239159651 MOAFUDQMFNAOIK-UQBFBZJBSA-N 415.287 2.749 0 50 HFAA C[C@@H](CC(=O)NC[C@@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 253428361 CWWVGQXXOAFQRQ-MSOLQXFVSA-N 411.587 2.744 0 50 HFAA Nc1noc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc12 1469215264 ZQKUVVBOCUKCGT-UHFFFAOYSA-N 414.487 2.515 0 50 HFAA O=C(c1ccoc1)N1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 1506397908 ZXCOEBFHWKNYOH-UHFFFAOYSA-N 400.859 2.750 0 50 HFAA O=S(=O)(c1ccccc1)N1CCC(n2ccnc2-c2cnn3cccnc23)CC1 1857686577 CKLTVINOPBLOBK-UHFFFAOYSA-N 408.487 2.619 0 50 HFAA C[C@@]1(c2cccc(NC(=O)/C=C/c3ccc(-n4ccnc4)cc3)c2)NC(=O)NC1=O 1875255561 ZKKSPVNJXZIMJO-FNNXTJRKSA-N 401.426 2.579 0 50 HFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCCc2ccccc21 1875305633 WFROSIYZBKQEON-MRXNPFEDSA-N 419.572 2.762 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC=CCO2)C1 1875383125 HUUNHWQLVOFFPV-DBVUQKKJSA-N 408.420 2.783 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccccc1F 824251 RTFDRAOCZRIOMR-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COCC(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1 1069777 FNUKYNYXVWGTEW-UHFFFAOYSA-N 411.462 2.806 0 50 HFAA COC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1Cl 1118724 UGUGWGRFCROOKW-UHFFFAOYSA-N 414.842 2.670 0 50 HFAA O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4197090 GPLCFHHDVLLAFI-CQSZACIVSA-N 403.481 2.684 0 50 HFAA O=C(c1nc2ccccn2c1CN1CCC(C(=O)N2CCCCC2)CC1)N1CCCC1 11934321 WLDYGAOHTNPUMA-UHFFFAOYSA-N 423.561 2.795 0 50 HFAA O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCCN(CCc2ccccc2)C1 11954619 IYOVLFUMEWCTFC-HXUWFJFHSA-N 404.514 2.610 0 50 HFAA CC[C@@H](NC(=O)c1ccccc1OC1CCN(C(=O)COC)CC1)c1ccncc1 12194296 MLZNGRYEQPYBIF-HXUWFJFHSA-N 411.502 2.979 0 50 HFAA Cn1cc(CN2CCC([C@H](O)c3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 12301570 SMNPHYFNAFAMCL-QFIPXVFZSA-N 423.517 2.537 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1F 12317518 AQNMNGKDYQFKNG-UHFFFAOYSA-N 419.526 2.618 0 50 HFAA O=C(Cn1nnnc1CN1CCCC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 12454205 NJPRXDKWCBOYIM-NRFANRHFSA-N 410.909 2.828 0 50 HFAA Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)s1 14977645 AHUPLYUUTWMREM-UHFFFAOYSA-N 413.522 2.704 0 50 HFAA Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1C[C@H]1CCCO1 15066666 SMDINIHYZJMXMF-OAQYLSRUSA-N 423.557 2.509 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1 15837814 CBGPOSOHJIBVPX-YBEGLDIGSA-N 417.468 2.551 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 16552627 NXZNHLLTFBAKRZ-NRFANRHFSA-N 415.559 2.647 0 50 HFAA Cc1nn2cc(CCNCc3cn(C)nc3-c3ccc4c(c3)OCCO4)nc2s1 20208447 KXYPJOMMTRUHNM-UHFFFAOYSA-N 410.503 2.603 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(C)s1)CC2 23128987 YXFUEAOIVAQLTQ-UHFFFAOYSA-N 401.532 2.521 0 50 HFAA COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 36372276 TVYBDQDXSLBDGV-FSWSUDKZSA-N 416.514 2.678 0 50 HFAA CCn1ncc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C 38149377 QNXUMGVJSSUNNF-JOCHJYFZSA-N 400.567 2.906 0 50 HFAA O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCCN1CCOCC1 40396696 KBGGYKIEGALJAK-UHFFFAOYSA-N 407.449 2.573 0 50 HFAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CC2(C)C)CC3)o1 77485042 WPCCWQOQPLONTB-IBGZPJMESA-N 402.516 2.997 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82108531 HMCLJTOSWRRGMJ-IBGZPJMESA-N 400.567 2.837 0 50 HFAA COc1cc(C)c(S(=O)(=O)Nc2ccccc2CN2CCC[C@@H]2C(N)=O)cc1C 225695117 HDMCTFZEGWECOH-GOSISDBHSA-N 417.531 2.563 0 50 HFAA O=C(COc1ccc(N2CCCC2)nn1)N1CCC(Oc2ccc(F)cc2)CC1 299768813 MTMSZPBWYBXKLS-UHFFFAOYSA-N 400.454 2.665 0 50 HFAA O=C(NCc1csc(-c2cnccn2)n1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676380 CHEKDVWRIOUNIU-XFKLWTPLSA-N 421.530 2.804 0 50 HFAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)n1 952974633 USBCQDYYXOKMPS-UHFFFAOYSA-N 418.423 2.892 0 50 HFAA COC(=O)c1ccc(NC(=O)N2CCc3c(F)ccc(Br)c3C2)nn1 1476505352 MPWICTAQSXOQMN-UHFFFAOYSA-N 409.215 2.755 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529185547 NLCJHELCOJOWCN-ISKFKSNPSA-N 405.498 2.993 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1F 1704306568 OXHMIKKJLABTIY-QFBILLFUSA-N 411.433 2.943 0 50 HFAA CCc1cc(C(=O)N(CC(=O)NC)CC2CCC(C(F)(F)F)CC2)cn(C)c1=O 1857527425 IEBFPSAMBJQNAS-UHFFFAOYSA-N 415.456 2.505 0 50 HFAA COC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)n2CC(C)C)CCO1 1875253022 LXFFXXYDBHQWOA-HNNXBMFYSA-N 412.412 2.998 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 11814145 NLLMFFJKDJTPDX-LJQANCHMSA-N 412.534 2.900 0 50 HFAA COc1cc(CNC2CCN(C)CC2)ccc1OC[C@@H](O)CN1CCCCCCC1 12299149 PTRIMDJATPSRBG-QFIPXVFZSA-N 419.610 2.885 0 50 HFAA COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC[C@@H](O)CN1CCOCC1 12303056 CJIGRRMITCQOKQ-QFIPXVFZSA-N 414.546 2.708 0 50 HFAA CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21 15867535 MEYMLZILJPPWBM-UHFFFAOYSA-N 412.515 2.596 0 50 HFAA O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 19369125 NWEXMLZZPPOAIQ-UHFFFAOYSA-N 403.276 2.951 0 50 HFAA Cc1sc2ncc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)n2c1C 23119895 FALGYMOMGLPYFT-RMKNXTFCSA-N 408.527 2.844 0 50 HFAA COc1c(N2CCC/C(=C(\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 34661474 VMKVDAAFMQKZJS-LFIBNONCSA-N 419.428 2.965 0 50 HFAA in-man O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 44917365 YIOGTKJHLDQOEC-UHFFFAOYSA-N 420.488 2.830 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)NCc2ccccn2)[C@H](c2ccccc2Cl)N1C 55307576 VOPQZGRELMCVEQ-MDKPJZGXSA-N 401.894 2.976 0 50 HFAA Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(-n2cccn2)n1 67604018 ZCTROZIVHZICFU-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc2c(c1)OCCO2)CCCCC3 169777284 NWUPDNFIMRLGIP-UHFFFAOYSA-N 408.458 2.643 0 50 HFAA COc1ccc(C(=O)C[C@H](C)C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 170594473 DVNDDJOFOHQKNT-KRWDZBQOSA-N 424.497 2.897 0 50 HFAA Cc1ccc([C@@H](C)NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1C 225542853 MGYGNCMFOUOMOM-OAHLLOKOSA-N 411.531 2.947 0 50 HFAA COc1ccc(CCN[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)cc1OC 263619076 WTGIPNNRXXBCSO-QFIPXVFZSA-N 406.486 2.950 0 50 HFAA CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 299759786 NJSVMMVPIJUSBV-YJBOKZPZSA-N 405.445 2.543 0 50 HFAA COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)C(=O)CCCOc1ccccc1F 328596475 SNHHXQGZMRSOBR-IERDGZPVSA-N 403.450 2.936 0 50 HFAA Cn1c(CCNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)nc2c(F)cccc21 461095006 OHTIQYIZHMTRBU-NRFANRHFSA-N 414.456 2.584 0 50 HFAA Cc1cc(N2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)nc(C(C)C)n1 477494422 QPFIDQSNGOOYRM-UHFFFAOYSA-N 410.444 2.938 0 50 HFAA CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cnn(CCN3CCOCC3)c1)CCC2 478732074 KCCJQAJXBBKXHB-KRWDZBQOSA-N 418.567 2.776 0 50 HFAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COc3ccccc3-c3ccnn3C)CC2)C1 478829734 SIGIIXQELUTXKN-GOSISDBHSA-N 424.545 2.963 0 50 HFAA Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1252671185 NYMSAJOTFRLKCK-GOSISDBHSA-N 409.458 2.967 0 50 HFAA CCOc1cccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529126862 SZSZSTNAAGNXDV-NHCUHLMSSA-N 401.459 2.677 0 50 HFAA O=C(Cc1cccc(Cl)c1)N[C@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@H]3C2)C[C@@H]1O 1875244408 JAUZTMWRDVVTEB-GCLMUHHRSA-N 404.938 2.787 0 50 HFAA CCCN1C(=O)[C@@]2(CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)c2ccccc21 2100545526 URSSSMTWCOLTRN-JOCHJYFZSA-N 412.511 2.631 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnc[nH]4)C3)[C@@H]3CCCC(=O)N23)c1 2356146386 DAUHXYODZNGUNK-SEONNTABSA-N 408.502 2.503 0 50 HFAA Cc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 624312 DIPSVTYFAKUJFQ-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1 1154299 MHHQIFFHCQBSGV-XMHGGMMESA-N 400.862 2.978 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)cc1OC 11934761 UYAKOVVIFIFASA-IBGZPJMESA-N 417.550 2.623 0 50 HFAA CCN(Cc1ccncc1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 11936839 MUUAUYBXLYIADO-NRFANRHFSA-N 401.576 2.892 0 50 HFAA COc1ccc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)cc1OC 12279762 JHXFOAPMOSOTGE-UHFFFAOYSA-N 413.522 2.759 0 50 HFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 12713866 QPNRIWUTQRHWLB-NRFANRHFSA-N 413.606 2.827 0 50 HFAA Cc1cc(CN(C)Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)on1 15064279 CCMVODSTSYABRX-OKILXGFUSA-N 403.508 2.574 0 50 HFAA Cc1ccccc1C(=O)Nc1c(C(=O)N2CCN(C)CC2)cnn1-c1ccccc1 19791102 SUZUQLICOLNVBH-UHFFFAOYSA-N 403.486 2.821 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(F)cc3F)C[C@H]2C(=O)NC(C)C)CC1 20779168 WNGYGSHWLNFYQL-UGKGYDQZSA-N 422.564 2.896 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cccc3cnccc23)n1CCOC 55196079 RZKKEVQFHKZNHS-UHFFFAOYSA-N 402.520 2.503 0 50 HFAA O=C(NC1(CO)CCCCC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82100101 GPYIXQMXIDMGLA-OAQYLSRUSA-N 414.594 2.569 0 50 HFAA CCCCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82161933 NSZFQCLGKZRXDY-HXUWFJFHSA-N 400.567 2.981 0 50 HFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 209311909 UGFQWXLMBJOLCZ-IEBWSBKVSA-N 400.479 2.663 0 50 HFAA COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 229722345 XEHVGTSCNJTDLS-QUCCMNQESA-N 412.486 2.564 0 50 HFAA CCN(CC)[C@@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 239667700 BRNKSIMEXWNEMR-MOPGFXCFSA-N 423.554 2.734 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)CC1 1506427043 JZAKLBGRFHNLFO-HXUWFJFHSA-N 413.543 2.968 0 50 HFAA CCN(CC)Cc1cc(-c2nccn2-c2cnn(CCCC(N)=O)c2)ccc1OC 1857687885 KBTKUCVSBWBARE-UHFFFAOYSA-N 410.522 2.852 0 50 HFAA CN(C)S(=O)(=O)C[C@@H]1CN(c2cc(-c3ccccc3)nc3ccccc23)C[C@H]1O 1857732857 KOSWDZVXMMRRAA-HTAPYJJXSA-N 411.527 2.590 0 50 HFAA O=C1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)C2(CCNCC2)N1 1875358933 NRNJMWXDGMHRPT-UHFFFAOYSA-N 402.498 2.806 0 50 HFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OCCCN(C)C)cc2)C1=O 2356138039 FZCKXJHSRPFVGD-HSZRJFAPSA-N 403.567 2.621 0 50 HFAA O=C(c1cc2ncccn2n1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356148706 OGFVXKSJVVNQIW-HSZRJFAPSA-N 403.486 2.569 0 50 HFAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)C1 2356154255 OLHCEBKFOZECJD-QGZVFWFLSA-N 404.507 2.798 0 50 HFAA C[C@@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2ccccc2C1=O 637087 GEMVBIFRYLFRDH-JTQLQIEISA-N 420.206 2.914 0 50 HFAA O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccco1 915820 NBAQMXUFKQCQSW-NTCAYCPXSA-N 405.248 2.672 0 50 HFAA Cc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 1111049 SUIVNWHGIQEJOO-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 1124507 QCZHZXCRRHTVLD-NVXWUHKLSA-N 415.563 2.841 0 50 HFAA COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccccc3)CC2)c1 2325436 BKBUVGGPIYGFHW-UHFFFAOYSA-N 413.499 2.779 0 50 HFAA O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(Cl)cc1Cl 2773258 CIXXTPGDJDUBGH-UHFFFAOYSA-N 402.255 2.698 0 50 HFAA COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cccs2)cc1 9347963 SLYGIMVQTKZTAD-FQEVSTJZSA-N 423.494 2.895 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)NCCCn2ccnc2)cc1)c1ccccc1 9668802 XCWAFUJNHOPLAY-UHFFFAOYSA-N 412.515 2.669 0 50 HFAA CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12457933 KRNBNMXWUPNRNQ-KRWDZBQOSA-N 401.532 2.602 0 50 HFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1ncc[nH]1)CC2 14746748 LNHXLPFWGDYUHH-UHFFFAOYSA-N 409.490 2.593 0 50 HFAA CCCC(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 14881369 IWJUDERLUUWXLL-QFIPXVFZSA-N 417.506 2.553 0 50 HFAA CCC(=O)Nc1cc(CNC(=O)c2cccc(-n3cccn3)c2)cc(C(=O)OC)c1 14974519 XUJNJGYDMKLRJH-UHFFFAOYSA-N 406.442 2.937 0 50 HFAA O=C(NCc1ncc[nH]1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67675685 KARREVKNXAXUGJ-KRWDZBQOSA-N 402.502 2.888 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1 72116065 CAVWDCHKMSZJKB-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)no1 72315458 VJCLAPUACUQZOV-UHFFFAOYSA-N 416.441 2.746 0 50 HFAA CCCCN1CCN([C@@H](C(=O)NCc2ccc(C)s2)c2ccccc2)C(=O)C1=O 77337447 AXJPFRBZMCHILZ-LJQANCHMSA-N 413.543 2.885 0 50 HFAA COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](CN(C)C)c2ccccc2)c1C 225434922 GRPYPCSHCHPENR-GOSISDBHSA-N 401.507 2.510 0 50 HFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1cccc(-c2nc[nH]n2)c1 252536684 JDPJAUZUJVIQIY-MRXNPFEDSA-N 424.848 2.779 0 50 HFAA Cc1nnc(CCNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)s1 426739797 QMVLBWKUQQXHNB-UHFFFAOYSA-N 405.483 2.582 0 50 HFAA O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNC(=S)NC1CCC1 814197275 WADKDPLSZCVCQR-UHFFFAOYSA-N 400.548 2.958 0 50 HFAA CNC(=O)c1cccc(S(=O)(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)c1 823836590 RHBVKDNWIVUZAI-IBGZPJMESA-N 402.516 2.725 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)S(C)(=O)=O)cc1 827825748 JCRHWLVQQLLXRN-IBGZPJMESA-N 415.559 2.712 0 50 HFAA CCc1cc(CN2C[C@H]3CN(S(=O)(=O)CC)C[C@]3(CCc3ccccc3)C2)on1 1772813679 NYOJCTJCQRIJQT-UGKGYDQZSA-N 417.575 2.953 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(C)cc(F)c3)CC(=O)N2[C@H]1c1ccccc1 1857728689 MFXLGMJMFZYAKA-ZJOUEHCJSA-N 410.445 2.721 0 50 HFAA O=C1NC(=O)c2cc(NC(=O)N3CCc4nc[nH]c4[C@H]3c3ccc(F)cc3)ccc21 1875351326 SAZIODOZQPNNBJ-GOSISDBHSA-N 405.389 2.612 0 50 HFAA Cc1ncc(CO)c(CS[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1O 2325879867 KPLPXHDCKYDUTL-LPHOPBHVSA-N 415.559 2.600 0 50 HFAA COCCN1Cc2nnc(-c3cc(CC(C)C)on3)n2[C@H](Cc2ccccc2)C1=O 2356161208 KQBZJNOJMRHROX-LJQANCHMSA-N 409.490 2.904 0 50 HFAA O=C(/C=C/c1ccc(F)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 1148855 JCMGFZQXAYFXQK-KPKJPENVSA-N 402.491 2.982 0 50 HFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)cc1OC 5031246 BQRQOGDFKDWTLT-LJQANCHMSA-N 416.430 2.861 0 50 HFAA COC(=O)c1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc(C(=O)OC)c1 9013623 CAQZNWWQKPNNST-INIZCTEOSA-N 414.439 2.701 0 50 HFAA CCCN(C[C@@H]1CCCO1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1 12456989 MXVSSQKJLGRWJB-FQEVSTJZSA-N 414.506 2.708 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCCN(C)CCc2ccccc2)CCC1=O 12703144 UMURCEOUBGGWFR-JOCHJYFZSA-N 423.557 2.725 0 50 HFAA CC(C)n1cc(C(=O)NCCN2CCCC2)c(=O)c(C(=O)NC2CCCCCC2)c1 14967698 SFGFGXOERQSHDQ-UHFFFAOYSA-N 416.566 2.707 0 50 HFAA CN(Cc1ccccc1)c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 19795055 JCCJSDQGPXCXSC-UHFFFAOYSA-N 402.502 2.861 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@H](c4ccccc4)C3)n2)cc1 44917574 FYVMDPWMQFOCGN-NRFANRHFSA-N 405.454 2.519 0 50 HFAA C[C@@H](C(=O)NCCc1csc(NC(=O)[C@H](C)C2CCOCC2)n1)C1CCOCC1 170615898 ABLHRZBITVNRMJ-HUUCEWRRSA-N 423.579 2.866 0 50 HFAA C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 170626431 XGERYQWTFVJIQJ-DTWKUNHWSA-N 405.289 2.963 0 50 HFAA C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1Cl 242273630 YEMXTSVNUMEDGD-SSINHNECSA-N 414.936 2.558 0 50 HFAA Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)cc1 470536737 FLUADHURFNJOII-YJBOKZPZSA-N 408.458 2.951 0 50 HFAA CCC(=O)N[C@@H](C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 475355979 RLCQQXIJGPCZHN-QFBILLFUSA-N 424.419 2.829 0 50 HFAA Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 801152017 FQBQRTSTQXSEGW-QGZVFWFLSA-N 422.526 2.584 0 50 HFAA O=CN1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)ccc21 915658846 HKAPZAYJSBJQMA-DEOSSOPVSA-N 417.465 2.562 0 50 HFAA CC(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2nccn2C)c1 1875254076 OJRDKMZRAAXXIQ-GOSISDBHSA-N 406.442 2.502 0 50 HFAA CC(C)[C@H](C)Oc1nn(C)cc1NC(=O)C(=O)Nc1cn(C)nc1O[C@H](C)C(C)C 2325816845 CQAZFBTXOBQDNE-OKILXGFUSA-N 420.514 2.577 0 50 HFAA CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O 1056870 UZPOPOBRMWKGRB-LJQANCHMSA-N 405.454 2.936 0 50 HFAA Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccnc2)cc1 1194681 YXFCSKOILFDJSV-UHFFFAOYSA-N 423.538 2.940 0 50 HFAA O=C(O)CCCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccccc2)N1 1839638 TVMSYAZJWTWJBQ-SFHVURJKSA-N 403.442 2.686 0 50 HFAA Cc1nn([C@@H](C)C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1Br 2785624 MNYHTUZAUDDYMI-NSHDSACASA-N 407.247 2.933 0 50 HFAA CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(=O)NCC(C)C)n1 2800085 ZZYDMBGHIMJVMC-UHFFFAOYSA-N 411.304 2.520 0 50 HFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)C1 6747506 VSNFHYDZFSZMMM-MRXNPFEDSA-N 422.576 2.909 0 50 HFAA Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)N(C)C)cc1 8602057 OOPLPXUSTXMRSN-UHFFFAOYSA-N 419.547 2.711 0 50 HFAA CCCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3OC)nc2s1 9526566 FSOFVDMSIYRJDU-UHFFFAOYSA-N 404.517 2.984 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCn4ccnc4)C3)nc(C)c2c1 11882368 YVNYXBXCNYRZBI-QGZVFWFLSA-N 408.506 2.566 0 50 HFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCCN(C2Cc3ccccc3C2)CC1 12093879 RMYNRAQBLRVVBI-UHFFFAOYSA-N 419.504 2.781 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@@H]4CCOC4)CC3)c2)s1 12581895 ZIDWPXFIRYNOIJ-MRXNPFEDSA-N 400.504 2.727 0 50 HFAA CCOC(=O)CNC(=O)N1CCC[C@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 15073529 SOSTVSHOLDSXIK-HXUWFJFHSA-N 410.898 2.801 0 50 HFAA CSc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCOCC1 16650664 NZEFCFXPYJTRDH-UHFFFAOYSA-N 418.540 2.632 0 50 HFAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 19879578 MCKGCKSVZDJKCJ-HXUWFJFHSA-N 402.466 2.599 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)n1 49551048 GMWGXZQSGSXZKB-UHFFFAOYSA-N 410.405 2.655 0 50 HFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 67629803 PXZHHXDAHNDJNQ-UHFFFAOYSA-N 400.552 2.811 0 50 HFAA CCN(Cc1ccncc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77320482 HBQAOLAULZAKSB-BLRYILKCSA-N 421.472 2.551 0 50 HFAA COCC1(NC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CCCC1 82096711 XBIKDXICJMCTDO-OAQYLSRUSA-N 414.594 2.833 0 50 HFAA CNc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12 96835624 FGYFVXVXPFAFLD-UHFFFAOYSA-N 417.922 2.836 0 50 HFAA CN1CC(=O)N2[C@@H](Cc3cc4c(cc3[C@H]2c2c[nH]c3ccc(Cl)cc23)OCO4)C1=O 144840888 FSEZESVJDPKRDS-UWJYYQICSA-N 423.856 2.865 0 50 HFAA in-vitro CCN(CC)c1ccc(C(=O)N2CCC(n3cc(-c4nc(C)no4)nn3)CC2)cc1 169777323 SXQKFOVYHWCAEC-UHFFFAOYSA-N 409.494 2.960 0 50 HFAA COC(=O)c1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1 169778357 VKARADRZOPSYBY-UHFFFAOYSA-N 408.458 2.658 0 50 HFAA CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cccc(C)c3O)CC2)cc1 170599825 JTBAEUZLNVAYSP-UHFFFAOYSA-N 402.516 2.893 0 50 HFAA Cc1[nH]ncc1CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 170613051 GKHUUEHFPHMZEP-QGZVFWFLSA-N 415.542 2.882 0 50 HFAA N[C@](C(=O)NCCNC(=O)c1ccc(Cl)cc1)(c1cccc(F)c1)C(F)(F)F 225703370 OFFUBBDPRCQATD-KRWDZBQOSA-N 417.790 2.742 0 50 HFAA CN(C)[C@@H](C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cncn1C 328592173 HKKZABGALXRFEI-OAQYLSRUSA-N 404.474 2.888 0 50 HFAA CC(=O)c1cc(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3=O)C2)n[nH]1 426442769 YCKCZNMZDODUAP-HSZRJFAPSA-N 408.502 2.700 0 50 HFAA CCc1ccc(CN2CCC3(CC2)CN(C(=O)c2cccnc2O)CCO3)s1 823529167 NWEDETVOUAUPMD-UHFFFAOYSA-N 401.532 2.918 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NCc3csc(-c4ncccn4)n3)o2)c1C 1506403114 WCXAYQYHYBPZDD-UHFFFAOYSA-N 417.472 2.943 0 50 HFAA O=C(C1Cc2ccccc2C1)N1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)NCCO 1704298134 DVXUXKGUJMEEER-UMFSSWHCSA-N 418.537 2.502 0 50 HFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C1)CC2 1704301190 OCUVXTPZNHOFRO-DEOSSOPVSA-N 405.546 2.657 0 50 HFAA CCOc1cc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)ccc1OCCN(C)C 1772710916 UNNYMWVIQMRMBE-NRFANRHFSA-N 411.546 2.569 0 50 HFAA CCc1cc(CN2C[C@@H]3CN(S(=O)(=O)CC)C[C@@]3(CCc3ccccc3)C2)on1 1772813676 NYOJCTJCQRIJQT-DENIHFKCSA-N 417.575 2.953 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCc2cnc[nH]2)CC1 1857684057 XMNDSTHJDHEKAD-UHFFFAOYSA-N 416.529 2.770 0 50 HFAA CC(=O)NCCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857699204 RNUVNERWKUYUBP-NRFANRHFSA-N 401.551 2.611 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4cc(C)no4)CC3=O)sc2c1 1857699391 SSEORYCTHPPQMU-GFCCVEGCSA-N 400.460 2.661 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)N4CCN(C)C(C)(C)C4)C3)nc2c1 1857707890 OLACFUXIMIDDTK-INIZCTEOSA-N 400.523 2.996 0 50 HFAA CN(C)CCCCC(=O)N[C@@H]1CCc2cc(CNc3ccnc4ncnn34)ccc21 1875328004 UHGNMUZGFRCARO-LJQANCHMSA-N 407.522 2.572 0 50 HFAA COc1nc2c(cc1C(=O)N[C@H]1CCC[C@@H](CN3C[C@H](C)O[C@H](C)C3)C1)CCC2 2100539574 OKHSKRPDULBYMU-NTDBWNAOSA-N 401.551 2.977 0 50 HFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)cc1 890145 OXABGKXTLBVPAW-NRFANRHFSA-N 414.527 2.823 0 50 HFAA COc1cc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl 1059913 YISKFZSATOWGGN-LJQANCHMSA-N 418.833 2.895 0 50 HFAA C=CC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl 5495533 OMZWNUDZMNEFOV-LBPRGKRZSA-N 409.726 2.930 0 50 HFAA COc1ccc(CC2=NO[C@@H](C(=O)N(Cc3ccccc3)C[C@@H]3CCC(=O)N3)C2)cc1 12004994 OGGPEAPSVKKSDX-SIKLNZKXSA-N 421.497 2.690 0 50 HFAA COCCN1C(=O)C[C@@](CC(=O)N[C@H](C)c2cccs2)(c2ccccc2C)C1=O 12281121 LMHBOCUVQYGNEP-ZHRRBRCNSA-N 414.527 2.967 0 50 HFAA CSc1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 12380880 BUVHGHZFDMDTLB-CYBMUJFWSA-N 422.528 2.973 0 50 HFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 12381056 FOOBNCHTFYYIIC-IGCGCMMHSA-N 416.249 2.761 0 50 HFAA CCN(C[C@@H]1CCCO1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19227044 DILBDQNJEBOPEP-FQEVSTJZSA-N 412.534 2.634 0 50 HFAA O=c1[nH]c(-c2cccc(CN3CCN(Cc4cccnc4)CC3)c2)nc2c1CCC2 19837527 QGOPGLSYPOHTLT-UHFFFAOYSA-N 401.514 2.638 0 50 HFAA CCN1CCN(CC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)CC1 20608807 NOANDJRFSPWYGR-UHFFFAOYSA-N 405.495 2.917 0 50 HFAA CN(Cc1ccon1)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 22851915 YVKPLEUVRXBBBP-VMPITWQZSA-N 421.501 2.766 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)cc1 55575855 BXQIXIYVFAMIHC-FQEVSTJZSA-N 401.457 2.622 0 50 HFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(Br)cc3)ccc12 71754867 GSCNNVPVDSPUKF-UHFFFAOYSA-N 413.231 2.891 0 50 HFAA CC[C@H]1CN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)C[C@@]2(CCOC2)O1 225440846 SJFPNEHLGFPUCH-YEJXKQKISA-N 404.463 2.604 0 50 HFAA CN(C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1)c1nccn1C 242087999 WAZOKFGEUQFDFD-UHFFFAOYSA-N 416.528 2.505 0 50 HFAA CCC[C@H](C(=O)OCC)S(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 242197037 XHGTWSFVYCJASJ-COPLHBTASA-N 405.875 2.760 0 50 HFAA CC(C)CCn1cc(C(=O)NCc2ccccn2)c(=O)c(C(=O)NC2CCCC2)c1 299767680 MXUHFOYIMVCFDW-UHFFFAOYSA-N 410.518 2.892 0 50 HFAA Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)ccc21 477934291 FIUJCCJDIHDJPV-QGZVFWFLSA-N 422.460 2.707 0 50 HFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1nc(-c2cccnc2)no1 670438874 NPJRQFMYCFBZRI-UHFFFAOYSA-N 401.426 2.995 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc(-c2cnco2)cc1 670451190 VNHOLSTUWIVNRY-KOXWRSSLSA-N 414.509 2.639 0 50 HFAA CC(C)C(=O)NCCCn1c(-c2cnccn2)cs/c1=N\CCc1ccccn1 1875255802 RFIDFAHWVORREK-QLYXXIJNSA-N 410.547 2.707 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 856982 ISNRISZFKYZBNN-GOSISDBHSA-N 422.934 2.826 0 50 HFAA COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(C2CCCCC2)n1N 1049777 PCHKXUKIONGDIF-UHFFFAOYSA-N 418.523 2.737 0 50 HFAA CCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 6606241 JMGXUBZHWWNHKJ-UHFFFAOYSA-N 409.442 2.713 0 50 HFAA Cc1nnc2ccc(SCC(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)nn12 11786620 WGSPGHBUPKOGQA-CYBMUJFWSA-N 401.517 2.708 0 50 HFAA COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC 13483102 CWFHKAXLHFBLGL-RIYZIHGNSA-N 403.416 2.675 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCc1cccs1)C2 14540922 LDZVAKTZRSUONO-HNNXBMFYSA-N 404.605 2.843 0 50 HFAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 14742902 MZINYCMJTNMZSV-FQEVSTJZSA-N 410.562 2.967 0 50 HFAA COC[C@@H](C)NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 19301101 WSGKKUPPECNCDT-HXUWFJFHSA-N 401.595 2.947 0 50 HFAA Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20045065 KLTRDMOWVLBRDH-UHFFFAOYSA-N 403.335 2.542 0 50 HFAA COCCS(=O)(=O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)n1Cc1ccccc1 139006376 CGZLFZWITUZVQS-RBUKOAKNSA-N 403.548 2.726 0 50 HFAA COC(=O)COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217905520 KGRKWUXBIXHFLF-CQSZACIVSA-N 410.378 2.794 0 50 HFAA biogenic CN1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@@H]32)C1=O 248049152 QPOIGTWOMRWABZ-TUVUNVSASA-N 407.445 2.829 0 50 HFAA COc1ccccc1[C@H]1NC(=O)N(Cc2ncc(C)c(OC)c2C)C2=C1C(=O)OC2 263616206 HPTLMKZDHIGBIV-LJQANCHMSA-N 409.442 2.793 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)C1 726176865 GVSBBHAXNVHNNY-QGZVFWFLSA-N 412.421 2.819 0 50 HFAA O=C(Cc1ccc(O)nc1)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952894119 PSSREKBGJUXFCZ-GOSISDBHSA-N 419.363 2.507 0 50 HFAA Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506421407 IZRRUYHWVDEGME-SNVBAGLBSA-N 417.413 2.869 0 50 HFAA COc1ccc(Cc2nc(-c3ccn4ncnc4c3)n([C@@H]3CCOC3)n2)cc1OC 1857667568 NDQVDIFAGKPCAP-MRXNPFEDSA-N 406.446 2.557 0 50 HFAA Cc1ccc(C(=O)N2CCC(N=c3nc[nH]n4c(Br)ccc34)CC2)cc1 1875260331 FHFXTSQSNJNGLD-UHFFFAOYSA-N 414.307 2.939 0 50 HFAA N[C@@H](Cc1cccc(NC(=O)C[C@@H]2Cc3cc(C(F)(F)F)ccc3O2)c1)C(=O)O 1875305655 WRWLOLMZTUYVAL-HOTGVXAUSA-N 408.376 2.992 0 50 HFAA C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(-c4cccc(C(=O)O)n4)nn3)cc2)C1 1875326336 GXMBVKFKQAZCCA-OAHLLOKOSA-N 405.458 2.959 0 50 HFAA O=S1(=O)CC[C@H](n2nc(C3CCOCC3)nc2-c2cccc3ncsc23)C1 2100473784 ZJDDCPWBUOYBSB-ZDUSSCGKSA-N 404.517 2.808 0 50 HFAA COC(=O)CNC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826828 NKVWEEYVWLVISR-OAQYLSRUSA-N 409.486 2.887 0 50 HFAA Cc1cccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1C 658378 AQMYOAMYBKBKMF-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA O=C1CCCN1c1ccc(S(=O)(=O)NC2(CN3CCCC3)CCCCC2)cc1 4722279 KRJXYSJXTBLMFO-UHFFFAOYSA-N 405.564 2.890 0 50 HFAA COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCO)c3cccs3)n2)cc1 6090685 FTYJATVCDCFAGM-HNNXBMFYSA-N 404.517 2.874 0 50 HFAA CN(CCCN1CCCCC1)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 11933168 KPSRKMFONCKBMD-UHFFFAOYSA-N 400.479 2.732 0 50 HFAA Cc1nnc(CNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)o1 12572262 NACNOXIJSURTRE-UHFFFAOYSA-N 418.501 2.857 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)CC1 14975067 QWJUMVRPOQTGGE-LJQANCHMSA-N 418.534 2.734 0 50 HFAA CN(CC12CC3CC(CC(C3)C1)C2)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O 15068763 FRUXCJLGZKDGEV-IXHQKZKNSA-N 404.576 2.569 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 15671271 URKWHXXXEWBJMH-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 16625970 CDZIQZNSYWJSTC-HNNXBMFYSA-N 420.556 2.920 0 50 HFAA Cc1nn(C)cc1CN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 20540326 KCKWWXOULVMCTJ-UHFFFAOYSA-N 423.605 2.764 0 50 HFAA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc(N2CCCC2)n1 65365283 RLHUDZLUZYMIRT-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccoc3)[C@@H]4C2=O)c1 77458161 TVUXCICLSZWFAT-BLRYILKCSA-N 406.482 2.837 0 50 HFAA COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc5c(c4)OCO5)C3)[nH]n2)cc1 169753980 IJPPUALAJKXUFF-INIZCTEOSA-N 406.442 2.823 0 50 HFAA CCOc1ccc(-c2noc(CNc3ccc(S(=O)(=O)CCO)cc3F)n2)cc1 225389037 QFEFQYJIMIOYGH-UHFFFAOYSA-N 421.450 2.653 0 50 HFAA C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](OCCN2CCCC2)C1 229888314 ZMDAOSIFNHGXNV-MAUKXSAKSA-N 410.356 2.963 0 50 HFAA Cc1csc(NC(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)n1 252430834 NFRDDGWCZOODRU-JCNLHEQBSA-N 414.531 2.743 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252498839 RNEWONJCLMSXPD-PKOBYXMFSA-N 408.502 2.850 0 50 HFAA COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3O)c2)cc1 252513426 ZUMDCMFLNOFUEQ-WOJBJXKFSA-N 418.515 2.554 0 50 HFAA COc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccn(C)c3c2)N=C1O 252537295 KXMDHVYNQGQESS-QGZVFWFLSA-N 406.442 2.841 0 50 HFAA NC(=O)C[C@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1ccnc2ccccc12 253413053 SWQMJXOAWWDHTN-SFHVURJKSA-N 407.470 2.887 0 50 HFAA biogenic C[C@H](OC(=O)c1[nH]nnc1-c1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 805551748 LSHAGCFXHUEDGA-AWEZNQCLSA-N 419.441 2.783 0 50 HFAA CN1C[C@@]2(CCCN(Cc3ccc(OCCCN4CCOCC4)cc3)C2)CCC1=O 952989699 TUQRLEZSSBIIMT-XMMPIXPASA-N 415.578 2.622 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O 1506421351 HMFPIEQGJLBMOM-IBGZPJMESA-N 404.470 2.927 0 50 HFAA OC1CCN(c2ccnc(N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)n2)CC1 1704298625 KATNESRNSBEJOX-UTKZUKDTSA-N 405.502 2.656 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cn4c(n3)SCC4)CCCCC2)o1 1857526873 FITMNBDRWSMWMT-UHFFFAOYSA-N 403.504 2.864 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(Cc3cccc(O)c3)C[C@]23CC[C@H]1O3)c1ccc(Cl)cn1 1857716169 ZPSAXQOVDNXYCL-XHYAQGIWSA-N 413.905 2.850 0 50 HFAA CCc1nc(C)c(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)s1 1857735934 JYPSODYYRYZRHH-HKUYNNGSSA-N 417.579 2.816 0 50 HFAA CN=c1[nH]cc(C(=O)Nc2ccc(NC(=O)c3nn(C)c4ccccc34)cc2C)o1 1875321469 JOEHHISLIUUYGD-UHFFFAOYSA-N 404.430 2.838 0 50 HFAA COC(=O)c1c(NC(=O)COc2ccc3nncn3c2)sc2c1CCCCC2 1875334444 OLXOPTHXYFQUGO-UHFFFAOYSA-N 400.460 2.864 0 50 HFAA CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21 2325776103 KUQOZQYJCGIGOT-UHFFFAOYSA-N 418.471 2.957 0 50 HFAA Cc1ocnc1CNC(=O)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)cc1 2325863268 BWNVLNXGILZSKS-UHFFFAOYSA-N 419.441 2.837 0 50 HFAA CCOc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 816842 FOQSUGWUKFQGTL-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 1049450 QDJHTOORUCOZOQ-OAHLLOKOSA-N 404.488 2.883 0 50 HFAA O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 1166812 MPUQCKHWBWXGGV-UHFFFAOYSA-N 403.523 2.801 0 50 HFAA C[C@H](CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1 2995942 SEYUVYWWAMYEGF-SSDOTTSWSA-N 420.057 2.946 0 50 HFAA C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 4954529 YTDZKSCQSJXIAA-GDBMZVCRSA-N 401.536 2.532 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccccc1)NC(=O)c1ccco1 4976741 YCIJGUHRLATMSH-ZSFFSCSXSA-N 404.422 2.863 0 50 HFAA Cc1c(C)n(-c2cccnc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9060902 YVIJMBJJLRNRBO-UHFFFAOYSA-N 423.436 2.876 0 50 HFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)n1 11697220 WMBFNYVZEGZTEC-UHFFFAOYSA-N 418.457 2.615 0 50 HFAA C[C@@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1 11813099 JGUKSTIKOZPTIO-SFHVURJKSA-N 421.520 2.938 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 11813116 VIABDZDWNHTFLW-HSZRJFAPSA-N 416.525 2.892 0 50 HFAA CN(C)CCNC(=O)CCC1CCN(C2CCN(c3ccccc3F)CC2)CC1 11933084 IORWQLWOPVQITH-UHFFFAOYSA-N 404.574 2.965 0 50 HFAA COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 12002652 RJVJLBVLJFUGEZ-UHFFFAOYSA-N 412.826 2.942 0 50 HFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NC1Cc3ccccc3C1)C2 14535650 IMOAOJSLZYFKCM-HXUWFJFHSA-N 415.541 2.842 0 50 HFAA COC(=O)c1cccc(CN2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CCC2=O)c1 14981810 DBZCZSMEZWNSKR-UHFFFAOYSA-N 423.444 2.968 0 50 HFAA CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C=C/c1ccco1)CC2 15000405 PJDJCZSEFNJXMG-XYASWCNUSA-N 420.517 2.965 0 50 HFAA O=C(NCc1ccon1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 15073889 ZHLKCROGWOCPGI-HXUWFJFHSA-N 408.546 2.635 0 50 HFAA NC1CCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 67788507 FECFLGLBRXVBBC-GOSISDBHSA-N 405.546 2.798 0 50 HFAA CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82156771 WZWKKWOAWPIJJI-LJQANCHMSA-N 413.591 2.873 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4cccc(OC)c4)CC3)n[nH]c2=O)cc1 169770692 KYLVGLQYGFXMIU-UHFFFAOYSA-N 422.485 2.657 0 50 HFAA NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)C1 195529916 FSYUFJPGQWHLDD-GGAORHGYSA-N 420.557 2.987 0 50 HFAA Cc1cccc(OC2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 223238858 ANTFOSDIGJJTTD-JOCHJYFZSA-N 402.491 2.659 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)c4nncn4C)csc3C2)nc1 426378305 YUQHOUZRQRPILP-AWEZNQCLSA-N 410.547 2.883 0 50 HFAA Cc1cc(C)c(S(=O)(=O)Nc2cnc3onc(C)c3c2)c(C)c1NS(C)(=O)=O 462098730 AMDPJNKSMKDMOJ-UHFFFAOYSA-N 424.504 2.629 0 50 HFAA COC(=O)[C@@H](CNC(=O)c1ccc(Br)c(O)c1)Cc1ccc(O)cc1 485122279 NYMDLGIWNMHWSB-CYBMUJFWSA-N 408.248 2.622 0 50 HFAA COc1ccc(CN2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1Cn1cncn1 1506405627 BIXJMAXDEJCNLW-JOCHJYFZSA-N 401.474 2.601 0 50 HFAA C[C@@H](C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12)c1nnc(O)c2ccccc12 1506406972 QBVXVZRWDLCMPS-CQSZACIVSA-N 402.454 2.951 0 50 HFAA CNC(=O)Cc1nc(CCCc2nc3ccccc3s2)n([C@@H]2CCCC[C@H]2O)n1 1857670942 IRGJLMWVCYBIND-HZPDHXFCSA-N 413.547 2.828 0 50 HFAA CC[C@@]1(C(=O)NCc2nc(C)cs2)C[C@@H]2CC[C@H]1N2C(=O)c1nsnc1C 1857678008 QMNFVOYFGQQVQD-VEVIJQCQSA-N 405.549 2.701 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1 1875322915 NLGAUIQEQIEJGA-MTNREXPMSA-N 420.465 2.632 0 50 HFAA O=C1NC(=O)[C@]2(CCCCC[C@@H]2NC(=O)c2ccc(OC3CCC3)cc2Cl)N1 1875328796 NDEWYTDPJPWMKT-OXJNMPFZSA-N 405.882 2.912 0 50 HFAA CCc1oncc1C(=O)NC1CC2(CCN(C(=O)c3cnc(F)c(F)c3)CC2)C1 1875383349 QCROYSDYWRYUDT-UHFFFAOYSA-N 404.417 2.725 0 50 HFAA COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 2979496 TWJTUQAFGKEKPN-UHFFFAOYSA-N 408.545 2.678 0 50 HFAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccc2c(c1)OCO2 4078895 SICHMCIRSVCDKR-UHFFFAOYSA-N 402.406 2.871 0 50 HFAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCO2)CC1 11878583 PBXNCXHQRGJMKC-GOSISDBHSA-N 413.478 2.878 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1CCc1ccccc1 12306871 QCBMHRTZQQBLAA-LJQANCHMSA-N 405.564 2.512 0 50 HFAA CC1(C)Cc2cc(CNC(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)ccc2O1 12436227 WHWBZZATGXCVTO-GOSISDBHSA-N 407.514 2.893 0 50 HFAA CN(Cc1cccc(OC2CCN(C(=O)Cn3cccn3)CC2)c1)Cc1ccon1 14994912 HUXKTFRXBROWDW-UHFFFAOYSA-N 409.490 2.573 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1Cc1ccccc1 15062360 SJSPCOCYSKQMJD-UHFFFAOYSA-N 405.564 2.972 0 50 HFAA COCc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)o1 20406357 WGPRBJGDMCRWHN-SFHVURJKSA-N 404.507 2.512 0 50 HFAA COc1cc(CNCCc2nc(C)c(C)s2)ccc1OC[C@@H](O)CN1CCCC1 23339921 SJUBMVWVRMIZOI-IBGZPJMESA-N 419.591 2.936 0 50 HFAA COCC1(NC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CCCC1 82137361 ZTHWPGHFSRRDKN-NRFANRHFSA-N 414.594 2.833 0 50 HFAA C[C@H](CO)N1CCN(S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 170591775 SDYQDJXNLJILGK-GFCCVEGCSA-N 403.331 2.834 0 50 HFAA C[C@H](OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ncc(Cl)cc1Cl 241171018 KDQCOQBSQUMNPU-LFZOIZTFSA-N 418.302 2.713 0 50 HFAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)c1 253370566 SNRJLFRKZDKRJP-XYPHTWIQSA-N 400.928 2.666 0 50 HFAA C[C@]1(c2cccc(-c3noc([C@@H]4CC(c5cccc(F)c5)=NO4)n3)c2)NC(=O)NC1=O 761926157 BMQMFUZSAAKHEK-HRAATJIYSA-N 421.388 2.796 0 50 HFAA O=C(OCc1cc(Br)c2c(c1)OCO2)c1ccccc1-n1cnnn1 920147996 PGYVLASTZRIRIS-UHFFFAOYSA-N 403.192 2.511 0 50 HFAA COc1ccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1OCc1ccc(F)cc1 1704314102 OCHOJLSOFOJOTN-SZPZYZBQSA-N 415.417 2.775 0 50 HFAA COc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1Cn1cncn1 1772818464 FRTVBXOEXQWOEB-UHFFFAOYSA-N 401.430 2.556 0 50 HFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)c2c1 1857701296 OMSYSDRIYRYSAW-VXKWHMMOSA-N 416.481 2.677 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCc4cccnc4)CC3=O)sc2c1 1857714273 XSDLHJRTEUKHAQ-OAHLLOKOSA-N 410.499 2.802 0 50 HFAA O=C(c1cccnc1C(F)(F)F)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857722264 FDLADQRHAXWDFC-LPHOPBHVSA-N 412.383 2.668 0 50 HFAA CCCOc1ccc([C@H](C)NC(=O)C2(n3cc(C(C)(C)O)nn3)CC2)cc1OC 2325860842 XCGONOOQILUTOO-AWEZNQCLSA-N 402.495 2.669 0 50 HFAA CCOC(=O)C1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)CC1 991168 FOYGQSZNXSFQSC-UHFFFAOYSA-N 422.528 2.964 0 50 HFAA COc1ccccc1CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 1068963 IPGVZZZKRABWQF-UHFFFAOYSA-N 416.421 2.796 0 50 HFAA O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCC2)o1 3959262 LWUDLDAAAFUHGH-UHFFFAOYSA-N 424.910 2.569 0 50 HFAA NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 4757705 PGVZWKVMOBFPRL-UHFFFAOYSA-N 405.277 2.980 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 10335593 WUJBYWSXGBHDHM-UHFFFAOYSA-N 403.504 2.936 0 50 HFAA CC(C)Oc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 20454411 QIEPGBVMTPIBFO-UHFFFAOYSA-N 411.550 2.582 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)C1CCC1 20995113 HAWQVQJYFSEDPU-UHFFFAOYSA-N 403.530 2.948 0 50 HFAA CC(C)OCCCNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760272 DCPXEKWDOSXVMN-UHFFFAOYSA-N 422.529 2.968 0 50 HFAA Cn1cccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777550 KVKUUHPKUPXPMB-UHFFFAOYSA-N 403.446 2.811 0 50 HFAA CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 170591727 SPFWFLMGZCIGAX-FQEVSTJZSA-N 420.556 2.778 0 50 HFAA CC(C)(C)OC(=O)N1CCN(c2ncc(F)cc2I)CC1 170597214 SQOJQHGCIFWVRP-UHFFFAOYSA-N 407.227 2.882 0 50 HFAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239310268 IGYYVFKJOWGYIP-IUALHNSWSA-N 402.450 2.534 0 50 HFAA Cc1csc(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCC(C)CC2)n1 241161368 KAHIADSDPHTNEU-UHFFFAOYSA-N 415.562 2.673 0 50 HFAA CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2)CC1 252503365 VCLCAYMBZAAFCX-UHFFFAOYSA-N 405.506 2.504 0 50 HFAA O=C(NCCc1ccccn1)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409413934 LRACGXWFBJUKKE-OAQYLSRUSA-N 414.465 2.640 0 50 HFAA Cc1sc2nc(CCNC(=O)[C@H]3CCCN(c4ccccn4)C3)nc(O)c2c1C 827736484 ZMPJBXXYEQYLRZ-HNNXBMFYSA-N 411.531 2.984 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cccc(-n3cnnc3)c2)CC1 1506423055 BZHFLIPXTGRZQC-UHFFFAOYSA-N 404.518 2.832 0 50 HFAA O=CN1CCN(C(=O)C[C@@H](c2ccccc2)c2cc(Br)ccc2O)CC1 2841048 VOTYFDBXRIDQFU-KRWDZBQOSA-N 417.303 2.977 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1C 4413948 FZJGQNRLMOJAFP-GOSISDBHSA-N 417.531 2.506 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)c(C)c1 4840699 PBPPYKZGIGTZNY-LJQANCHMSA-N 401.532 2.724 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cccs1 8767654 AFSPWBARRDYUGD-DKGMDFAASA-N 416.549 2.921 0 50 HFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 9143572 RWHYSHHUQZTZNO-UHFFFAOYSA-N 405.530 2.953 0 50 HFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1 9620682 ROARIYRZWYUWQS-LJQANCHMSA-N 409.534 2.891 0 50 HFAA CC(=O)Nc1cc(CNCc2ccc3c(c2)OCCO3)cc(C(=O)N2CCCC2)c1 12121707 ORQMKIMBEOGRRW-UHFFFAOYSA-N 409.486 2.942 0 50 HFAA COc1ccc(OC)c(CC(=O)NC[C@@H]2Cc3cc(-c4cnccn4)ccc3O2)c1 12158002 AGNTWVUJOCCARY-IBGZPJMESA-N 405.454 2.823 0 50 HFAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccnc2)n2nc(CCCO)nc2N1 13124771 NILCLVBKMCUPGE-FQEVSTJZSA-N 404.474 2.834 0 50 HFAA Cc1cc2ccccc2n1CCNCc1c(C(=O)N2CCOCC2)nc2ccccn12 13596591 UYCJRPZVILVHKU-UHFFFAOYSA-N 417.513 2.860 0 50 HFAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 14537931 DSMAADPDVANKKA-QGZVFWFLSA-N 408.502 2.941 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1NC(C)=O 16121236 SXMNVPVJKZPSMT-UHFFFAOYSA-N 417.487 2.690 0 50 HFAA CCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(Br)cc31)C2=O 19323285 LXUJUKFRMRFEKH-UHFFFAOYSA-N 418.335 2.585 0 50 HFAA biogenic O=C(c1nnc[nH]1)N1CCN(c2nncc(-c3ccc(C4CCCCC4)cc3)n2)CC1 20601162 SGHHSGAGDFHYAD-UHFFFAOYSA-N 418.505 2.667 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3csc(C)n3)C2)CC1 61969710 DKMWIMYQDZKLEU-KRWDZBQOSA-N 400.548 2.887 0 50 HFAA CC(C)CN(C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95505705 IZDUDYNSRGPORT-UHFFFAOYSA-N 402.944 2.871 0 50 HFAA C[C@H]1Cc2cc(S(=O)(=O)N(C)[C@@H](C(N)=O)c3cccc(F)c3)cc(Cl)c2O1 195530531 KUIINJXCOMHQFY-MGPLVRAMSA-N 412.870 2.650 0 50 HFAA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)N1CCOCC1 239433672 YHFJHTLJRUEAGH-DARAHFNDSA-N 418.515 2.553 0 50 HFAA O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)[C@@H]2N1 334161837 JMNDZEYPZARKOQ-QWFCFKBJSA-N 416.522 2.918 0 50 HFAA Cc1ncn(CCNC(=O)c2ccc(-n3nc(C)c4ccccc4c3=O)cc2)c1C 828161199 LPUMGIXOHLCMDB-UHFFFAOYSA-N 401.470 2.937 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2)CC1 952976800 HEDUSANJHBKFPJ-UHFFFAOYSA-N 402.516 2.962 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cs1 952982684 QPLUVWCPFOCPAS-UHFFFAOYSA-N 422.507 2.691 0 50 HFAA Cn1nc(-c2ccccc2)c2c1CCN(S(=O)(=O)N1CCC(C)(C)CC1)CC2 1857668444 ULSVFCQJCRROAP-UHFFFAOYSA-N 402.564 2.855 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4nn[nH]c4c3)C1)CC2 1857701001 NUAQZSQGVZVSMS-QFIPXVFZSA-N 406.490 2.871 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCc4n[nH]c5c4CCC5)C3)nc2c1 1857708291 ZQSXUSWIJAVOMD-CQSZACIVSA-N 409.490 2.971 0 50 HFAA O=C(c1cnc2ccccc2n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857740976 WACGTSXLVZFKOH-MZKRTTBSSA-N 400.438 2.544 0 50 HFAA Cc1cc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)ccc1Br 1141389 ZXJRPDGBIZNHRH-UHFFFAOYSA-N 423.288 2.931 0 50 HFAA Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc2c3c(c(=O)oc12)CCC3 2146194 WIEAECBLYFKUAS-IBGZPJMESA-N 421.449 2.781 0 50 HFAA biogenic CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 11844250 UJVXYKFATONGER-UHFFFAOYSA-N 411.520 2.838 0 50 HFAA O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12314359 RHPVCKXZFHTTBP-OAQYLSRUSA-N 420.557 2.822 0 50 HFAA CS(=O)(=O)c1ncc(CN(Cc2ccccc2)CC2CC2)n1C[C@@H]1CCCO1 12316942 PFWRXZZCHNJFSS-FQEVSTJZSA-N 403.548 2.878 0 50 HFAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)c(C)c1 12587760 XEAVNSKPZINLNN-GOSISDBHSA-N 415.534 2.973 0 50 HFAA O=C(CCOc1ccccc1)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 15000627 FNFYBVPCSRKNRC-NRFANRHFSA-N 423.513 2.821 0 50 HFAA O=C(c1cc[n+]([O-])cc1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 15074972 PJPPWLIRMPCJOI-GOSISDBHSA-N 401.457 2.973 0 50 HFAA CC(=O)N1CCC(NCc2cccnc2N2CCN(c3ccccc3C)CC2)CC1 19227888 MRVYXTMTRCKJSJ-UHFFFAOYSA-N 407.562 2.817 0 50 HFAA COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC[C@H](O)CN1CCCC1 19867696 VZTJLHJUGXYHAH-JOCHJYFZSA-N 417.594 2.591 0 50 HFAA COc1cc(CN2CCN(Cc3ccccc3OC)C[C@@H]2CCO)cc(OC)c1 20998178 XDCHINXGTFVOLA-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(C3Cc4ccccc4C3)CC1)C2 67655065 GGLDBWXKAJHGCM-IBGZPJMESA-N 408.546 2.634 0 50 HFAA O=C(c1ccccn1)N1CCc2ccc(S(=O)(=O)NCc3cccs3)cc2C1 77355170 LOCSCBCDINSPHT-UHFFFAOYSA-N 413.524 2.820 0 50 HFAA CCc1c(C)sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C(=O)N1CCOCC1 101441078 YHFJHTLJRUEAGH-UGQVUOCMSA-N 418.515 2.553 0 50 HFAA Cc1ccc2c(c1)CN(CC(=O)NC[C@H]1COCCO1)C[C@H](c1ccsc1)O2 104352987 JZXZWMHOAUDOFO-AZUAARDMSA-N 402.516 2.524 0 50 HFAA CN(C)C(=O)N1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 170596655 WUWHUGLFDFABRR-UHFFFAOYSA-N 410.559 2.678 0 50 HFAA NC(=O)c1noc([C@H]2CCCN2Cc2cc(Br)cc3cccnc23)n1 170610867 OUVGLHLTTGDQEV-CYBMUJFWSA-N 402.252 2.816 0 50 HFAA CC(C)(C)OC(=O)N1CC(NC(=O)COc2ccc(Br)cc2F)C1 170631578 QABPLRZYDHQXCQ-UHFFFAOYSA-N 403.248 2.703 0 50 HFAA C[C@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@@H](C)O1 229718258 CDZJPQDNQHEVBY-XHSDSOJGSA-N 407.942 2.697 0 50 HFAA O=C(O)c1cnn(-c2ccc(C(=O)N3CC[C@@]4(CCOC4)C3)cc2)c1C(F)(F)F 238089949 KXRBZSRYLNZGSH-GOSISDBHSA-N 409.364 2.842 0 50 HFAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)c2C(N)=O)C1 239173972 PAJFERHLFUXCEV-OBOJTPGXSA-N 406.504 2.569 0 50 HFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C(=O)O)C1=CC[C@H]2C1=CC(=O)OC1 254481796 MXFWAFDRZXOGBT-AWKUXTDOSA-N 402.487 2.589 0 50 HFAA COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)NCc1ccc3nsnc3c1)C2 299777946 LMCHJUFPRBQYEK-CQSZACIVSA-N 412.515 2.989 0 50 HFAA Cc1ccc(-c2nnc(CN3CCC[C@@H](n4ncc(N5CCC5)cc4=O)C3)o2)cc1 328604635 KMEAVRAWLGHARQ-GOSISDBHSA-N 406.490 2.649 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 426193482 IPABTMMDVOCIPX-VJBCGDRYSA-N 413.949 2.727 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)CC3 491491270 DCJDQLRMYVLMAY-FYSMJZIKSA-N 416.481 2.818 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(c2cncc(C(=O)N3CCCC3)n2)CC1 1704325311 HQUWQLLFUGAXEP-UHFFFAOYSA-N 408.502 2.790 0 50 HFAA Cc1nn(C)c(Cl)c1CN1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 1772805108 HNTIXBJTLVYQRF-UHFFFAOYSA-N 404.898 2.501 0 50 HFAA O=C(CCCN1CCCCC1=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857710042 FIPVGVWGUPXHRJ-SLFFLAALSA-N 419.953 2.763 0 50 HFAA Cc1ccc2nc(O)c(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 1857797676 BUEXFBBKPQMFRF-UHFFFAOYSA-N 400.456 2.541 0 50 HFAA CO[C@@H]1C[C@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C3CC3)Cc3cccnc3N2C1 1875329820 FKXICHUQRVDJLT-LSDHHAIUSA-N 421.423 2.882 0 50 HFAA Cc1cc(C)nc(-c2cn(CCCCCCCC(=O)N3CC[C@@H](C(=O)O)C3)nn2)n1 1875353705 CXLOCCLLODQMPD-QGZVFWFLSA-N 414.510 2.626 0 50 HFAA Cc1cnn(C[C@@H](NCc2c[nH]nc2-c2ccc(Br)s2)C(=O)O)c1 2325851059 OEFUAPZJVNGCID-LLVKDONJSA-N 410.297 2.649 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 2325889559 WKKXGEMIHORLAX-UKRRQHHQSA-N 407.312 2.717 0 50 HFAA CCOC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 979769 SYUUHAJOLUBMPT-QCDXTXTGSA-N 414.233 2.777 0 50 HFAA COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1OC 2722842 PDBXYTOANIOVHO-UHFFFAOYSA-N 409.467 2.899 0 50 HFAA CCOC(=O)N1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 4676985 CNKVBUOGZDGJPS-UHFFFAOYSA-N 411.905 2.992 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697537 XEKSLRLMDKVEGG-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA C[C@H](CNC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)Oc1cccnc1 11818029 FVYULYFBDSCWRR-CYBMUJFWSA-N 405.380 2.938 0 50 HFAA Cc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1nccc(-c2ccccc2F)n1 11977283 UOLWRKLOEDOXNQ-UHFFFAOYSA-N 422.464 2.519 0 50 HFAA COc1ccc(-c2cccc3c2O[C@H](CNC(=O)Cc2ccc4c(c2)OCO4)C3)nn1 11995959 LCHBUAZIFOMGST-INIZCTEOSA-N 419.437 2.543 0 50 HFAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccnc2)n2nc(CCCO)nc2N1 13124770 NILCLVBKMCUPGE-HXUWFJFHSA-N 404.474 2.834 0 50 HFAA O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 14990791 FSABYTRMLOZMSO-QGZVFWFLSA-N 415.925 2.649 0 50 HFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccn1 16213522 LRHUEJBGGQFZJW-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)Cn2cncn2)C1)Nc1ccc(C(F)(F)F)cc1 39510165 WIOMKEYVDZSYFU-CQSZACIVSA-N 409.412 2.954 0 50 HFAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77391738 LONOGFHDDTUGKD-SRYPRDQNSA-N 413.518 2.755 0 50 HFAA C[C@H]1CN(C)[C@H](C)C[C@@]1(O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 224777791 URNGAGFSEVYAOW-VVZHRXSXSA-N 401.626 2.787 0 50 HFAA Cc1nc([C@H](C)NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n[nH]1 426430727 LDXFTPZEJSPRJM-NSHDSACASA-N 400.508 2.829 0 50 HFAA CCNS(=O)(=O)c1ccc(CNC(=O)c2csc(Nc3ccccn3)n2)cc1 478289022 YPXSBLCDLGEZLX-UHFFFAOYSA-N 417.516 2.510 0 50 HFAA C[C@@]1(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCc2ccccc21 751093517 CGHRVAIRJMGWTE-HSZRJFAPSA-N 423.538 2.574 0 50 HFAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 952965995 GKZOKXBYFJXMGJ-AWEZNQCLSA-N 401.444 2.922 0 50 HFAA COc1cccc([C@H]2CCN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C2)c1OC 952971191 NFZFPJZBSUWOFO-KRWDZBQOSA-N 407.474 2.547 0 50 HFAA COc1cc2c(cc1CN1CCCN(C(=O)c3nn(C)cc3Cl)CC1)CCC2 1800413426 HHOLEBUFIQFYRP-UHFFFAOYSA-N 402.926 2.919 0 50 HFAA C[C@H](C(=O)N(C)c1ccccc1)N1C[C@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 1857528824 RYJSAVWNABQCHJ-QZMQVMSPSA-N 418.501 2.932 0 50 HFAA Cc1ccc(CC(=O)NC[C@H]2[C@H]3CN(Cc4[nH]cnc4C)C[C@]34CC[C@H]2O4)cc1C 1857717864 CDJRIEVZIRGHLH-LNGMVNIQSA-N 408.546 2.673 0 50 HFAA Cc1c(O)cccc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857719855 XEGJFGZFAKFUTN-GOTSBHOMSA-N 410.514 2.740 0 50 HFAA Cc1nnc(N2C[C@@H](C(=O)NCCc3cccc(OCCC(C)C)c3)CC2=O)s1 1857723115 UBYIEDFGNSHHBC-KRWDZBQOSA-N 416.547 2.983 0 50 HFAA CN(C)C(=O)CCCn1ccc(=NC(=O)Nc2ncc([C@H]3CCCCO3)s2)[nH]1 1875352946 GWFHWWBGTJFMDU-CYBMUJFWSA-N 406.512 2.516 0 50 HFAA O=C(CCc1cnccn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356154112 IKOHHQDJXUZCOA-VAPSRWTKSA-N 418.541 2.880 0 50 HFAA O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1141783 IQHNMKDLSRSMTI-UHFFFAOYSA-N 411.391 2.607 0 50 HFAA Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 1419227 XAPUHHALCZTLTF-UHFFFAOYSA-N 401.518 2.860 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@@H]1CCCC[C@H]1O 1461710 IOJHDRPICYLNGH-UYAOXDASSA-N 402.516 2.686 0 50 HFAA O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccccc2F)CC1 5099716 BERUPTDTXRSODQ-UHFFFAOYSA-N 417.506 2.718 0 50 HFAA COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 6645448 STRFQIOAEDHQFM-HOTGVXAUSA-N 410.536 2.533 0 50 HFAA COc1ccc(CCN2C[C@H](C(=O)NCCCc3scnc3C)CCC2=O)cc1 12432349 NJMSKBBOOHAIEC-GOSISDBHSA-N 415.559 2.990 0 50 HFAA O[C@H](COc1cccc(CNCCCn2ccnc2)c1)CN1CCc2ccccc2C1 12433282 CSAFTODEJJPDLQ-DEOSSOPVSA-N 420.557 2.861 0 50 HFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1)NC1CCCC1 16623223 HBXKMBAQBAMMHW-UHFFFAOYSA-N 423.922 2.651 0 50 HFAA O=C(O)COCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 17082403 ZMKKPMNSTMOSNN-UHFFFAOYSA-N 402.472 2.597 0 50 HFAA Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 20045061 AZQAMYIRQQJVIP-UHFFFAOYSA-N 403.335 2.542 0 50 HFAA O=C(c1ccc(O)nn1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 20536301 NSTKKYGINSKATR-OAHLLOKOSA-N 402.445 2.835 0 50 HFAA COCCn1c(CN(C)Cc2ccno2)cnc1S(=O)(=O)CC1CCCCC1 20994024 FCSVQMWCLOFIBT-UHFFFAOYSA-N 410.540 2.504 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)c1 170596684 PXTCOCZHRWMEHS-SFHVURJKSA-N 424.563 2.552 0 50 HFAA CC(C)(C)n1ncc2c(N3CCOC[C@H]3c3ncnn3-c3ccccc3)ncnc21 253419411 OXDBTDURYOQAHF-KRWDZBQOSA-N 404.478 2.740 0 50 HFAA COCCCN(C)C(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 253419442 NASLCQVIHADGRP-UHFFFAOYSA-N 422.327 2.535 0 50 HFAA COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2n[nH]c4c2CCC4)CC3)c1 299756039 BUNYWIMHMLTKKS-IBGZPJMESA-N 422.529 2.508 0 50 HFAA O=C1C[C@@]2(CCN(C(=O)c3ccsc3NC(=O)c3ccc4c(c3)CCC4)C2)CN1 447700385 UZGPEOBFDZZVBK-QFIPXVFZSA-N 409.511 2.841 0 50 HFAA NC(=O)N1CCC[C@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 731784733 HBYBDLOUZYIXMR-IBGZPJMESA-N 421.541 2.952 0 50 HFAA COCCOc1cccc(CNC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c1 731974939 KZCMDEAUDPDIJA-UHFFFAOYSA-N 409.479 2.963 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 888090211 JZAQFHCWABWOEZ-LJQANCHMSA-N 417.469 2.628 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCCN([C@@H]2CCN(c3ccc(F)cc3)C2)CC1 1775984248 LCQIUTPGPZFZBF-HXUWFJFHSA-N 400.498 2.786 0 50 HFAA CCN(CC)c1ccc(C(=O)N2CCC(Nc3ccccc3)(C(N)=O)CC2)c(O)c1 1875343944 ZFCFWFNEFWFOGC-UHFFFAOYSA-N 410.518 2.811 0 50 HFAA Cc1sc2nc(SCC(=O)NCCCO)n(-c3ccccc3)c(=O)c2c1C 2281639 HBJPUCHTRJPPGR-UHFFFAOYSA-N 403.529 2.655 0 50 HFAA CC(=O)c1cccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 2870533 PPCXIJCVOXAPNJ-UHFFFAOYSA-N 412.577 2.837 0 50 HFAA O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1nc[nH]n1 4834456 USJZXWCWBGERFM-UHFFFAOYSA-N 416.894 2.734 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C)cc2)cc1OC 4974036 FAIYACVCTFOSBZ-UHFFFAOYSA-N 406.504 2.732 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C 11698007 NMUVAPKXONLGMB-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cc(C)on2)C1 12073731 UWQIVFMGGIMAMT-LJQANCHMSA-N 414.550 2.908 0 50 HFAA COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12438283 BBYSPYHSEKAYEE-JOCHJYFZSA-N 406.498 2.992 0 50 HFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(CCc3ccccc3)C2)cn1 14539704 YCYQTHQGYUGDDQ-XZOQPEGZSA-N 424.589 2.627 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 14999374 HITCXYGHMKDNMS-NBVRZTHBSA-N 405.502 2.692 0 50 HFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)CSc3ccccc3)CC2)C1 15080562 ZWIVTMDRGWFJRE-KRWDZBQOSA-N 401.576 2.760 0 50 HFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 19744693 VYCKYCQVVNRZER-HXUWFJFHSA-N 413.566 2.803 0 50 HFAA COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 32089481 KJXQSADKSYIWGB-QGZVFWFLSA-N 408.506 2.789 0 50 HFAA CC[C@@H](O)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72411279 JRDZPXSHBOMTLY-QGZVFWFLSA-N 412.465 2.769 0 50 HFAA Cc1c(O)cccc1C(=O)N1CCC2(CC1)CN(CCN(C)CC(C)C)C(=O)O2 77408186 HAKJTDRYEOQCHR-UHFFFAOYSA-N 403.523 2.715 0 50 HFAA CCc1ocnc1C(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 77438184 YWQPSXPOKHZAGU-UHFFFAOYSA-N 412.471 2.631 0 50 HFAA O=C(CCc1ccc(O)cc1)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91643610 VPZUKGAQTGILGI-HXUWFJFHSA-N 400.519 2.735 0 50 HFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2)C2=C1C(=O)OC2 169758150 ZLLGCYGOLWGZKE-HXUWFJFHSA-N 407.426 2.601 0 50 HFAA CCOC(=O)[C@](C)(CNC(=O)c1ccccc1SCC(N)=O)c1ccccc1 170605698 JZXADNRKEVSFHJ-OAQYLSRUSA-N 400.500 2.515 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)nn2)cc1C(F)(F)F 225397231 XSLKCYUXBCTVAA-UHFFFAOYSA-N 409.773 2.761 0 50 HFAA Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)cc1 470536734 FLUADHURFNJOII-CRAIPNDOSA-N 408.458 2.951 0 50 HFAA O=c1ccc2cc(S(=O)(=O)N3Cc4ccc(Br)cc4C3)ccc2[nH]1 765161152 DGJFQJKYISMREE-UHFFFAOYSA-N 405.273 2.995 0 50 HFAA Cc1nc([C@@H](C)N(C)C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)s1 1506419542 SAWBTCXGQQKOQD-LLVKDONJSA-N 407.517 2.514 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(c3ccc(CNC(C)=O)cn3)CC1)OCC2 1704311498 LYPYQHFRQZXPJV-UHFFFAOYSA-N 411.502 2.803 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@@]3(C(=O)N4CCCC4)CCN(C)C[C@H]23)n1C(F)F 1775980038 RKXPQEURIRDUAM-LAUBAEHRSA-N 408.493 2.741 0 50 HFAA CN1C(=O)NC[C@H]1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1875343082 PIBJJHPTCQIMNX-PMACEKPBSA-N 412.921 2.597 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)C1 2325889478 SIBDPTRJYXFNJW-INIZCTEOSA-N 401.532 2.547 0 50 HFAA COCCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(OC)c1 2356158339 YINOTQNQMKHWTB-ZFMNYDKASA-N 400.519 2.502 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCc1ccccc1 1133331 XJQWTYBDBBSOKY-UHFFFAOYSA-N 424.522 2.903 0 50 HFAA CCn1nc(C)c(CNCc2ccc(OC[C@H](O)CN3CCCC3)c(OC)c2)c1C 11879607 LRFHAJKLIFKCQF-HXUWFJFHSA-N 416.566 2.654 0 50 HFAA CN1CCC(N(C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)CC1 12005268 VUTLKKAXHOLIRO-INIZCTEOSA-N 407.942 2.976 0 50 HFAA CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCC 27416437 PELYUHWUVHDSSU-OAHLLOKOSA-N 411.432 2.694 0 50 HFAA in-vitro COc1cc(CN2CCN(Cc3ccccc3OC)C[C@H]2CCO)cc(OC)c1 39430506 XDCHINXGTFVOLA-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 169760414 WVPGYZOUJYIDAT-UHFFFAOYSA-N 418.453 2.693 0 50 HFAA CCc1noc(-c2cccn3c(CNC(=O)CCc4ccc(OC)cc4)nnc23)n1 169776004 XSXSHPUKYDCZEW-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA Cc1cccc(NC(=O)N2CCC(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)CC2)c1 170602676 DVXDRHZJOJMVSH-GOSISDBHSA-N 416.566 2.543 0 50 HFAA CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2n1C 223227884 ZIKPDEOQSFVUQR-JOCHJYFZSA-N 407.518 2.912 0 50 HFAA Cc1ccc(-c2nnc(NCc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)o2)c(C)c1 225430786 QVQTZEAGGOIYCS-IBGZPJMESA-N 401.492 2.696 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(NN=C2C(=O)N(c3ccccc3)N=C2C)c1 252427959 LTMYULHXCFXWND-UHFFFAOYSA-N 413.503 2.908 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 253410916 NYCIXQRVEYXLSB-FHJLPGHOSA-N 413.518 2.779 0 50 HFAA biogenic O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1OC(F)F 670444508 YTYVHOQJJWTENG-UKAYHFCDSA-N 413.468 2.585 0 50 HFAA O=C(CCCC(=O)c1ccccc1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670450028 FRCCDQPHFBUPTO-DKEBNAFJSA-N 417.553 2.723 0 50 HFAA COc1ccccc1[C@H](NC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)c1nccn1C 888093289 OSLHJDIKNOTRMT-RUENVJTFSA-N 412.490 2.945 0 50 HFAA O=C(CN1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1)NCC(F)F 952891775 CCPOIGMAYBOQOA-MRXNPFEDSA-N 422.329 2.763 0 50 HFAA Cn1cc(C(=O)N2CC[C@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)nc1O 1775960570 SSRAUNAYZKJCNG-KRWDZBQOSA-N 407.352 2.522 0 50 HFAA O=C1CC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)OCCN1Cc1ccccc1 1857685080 OKEUAUPTAIRWIP-JOCHJYFZSA-N 408.498 2.530 0 50 HFAA Fc1ccc(-n2cccn2)c(CN2CCO[C@@]3(CCN(Cc4ccncc4)C3)C2)c1 1857688534 OOGIUYFZFYSNNP-HSZRJFAPSA-N 407.493 2.883 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@@H](C)N(C)C)CC1 1857703144 VNNHFLSPVIBHSP-QGZVFWFLSA-N 407.562 2.754 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc4ncccc4c3)C1)CC2 1857732380 OAIJABUFCSPZDX-HSZRJFAPSA-N 403.486 2.917 0 50 HFAA OCC1(CN=c2[nH]c(C3CC3)nc3c2CC[C@@]32CCCN(Cc3ncc[nH]3)C2)CCC1 1875244543 NHKJXKBZHJDMHR-XMMPIXPASA-N 422.577 2.554 0 50 HFAA O=C(CCn1cc(-c2cccs2)nn1)NCC(=O)N[C@H]1CCCc2ccccc21 2325826328 YPFSFTXFCVVXQC-KRWDZBQOSA-N 409.515 2.707 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC2(COc3ccccc3C2)C1 2356168958 QBMSANGENYNFJB-INIZCTEOSA-N 421.950 2.642 0 50 HFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)c2c1C 1127953 CYNDSBGBPYRDQM-UHFFFAOYSA-N 413.455 2.784 0 50 HFAA CCc1ccc(OCCCNS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1 2877545 OZHBXYLFOLKOAP-GOSISDBHSA-N 402.516 2.600 0 50 HFAA CCn1c(=O)cc(OCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 5067127 HGRKZAAZVGPFLX-UHFFFAOYSA-N 410.470 2.776 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)CC1 6395744 ZMWPXANMZDQJJE-ZWKOTPCHSA-N 406.504 2.713 0 50 HFAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccoc4)CC[C@@H]32)cc1OC 11815174 AOBQCGSVQVFYAW-MJGOQNOKSA-N 412.486 2.993 0 50 HFAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C)c1 11906639 MSUOWRSNMYKIRJ-UHFFFAOYSA-N 410.517 2.734 0 50 HFAA CN(CC[C@H]1CCCCO1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F 12305340 AFYZSSMQHRIWGG-GOSISDBHSA-N 409.527 2.865 0 50 HFAA O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2cccnc2)CN1Cc1ccccc1 14732271 UHSCOQDMRSVXIT-IBGZPJMESA-N 422.510 2.608 0 50 HFAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2cscn2)CC1=O 14747502 BJOFEQVZNZHGPQ-MRXNPFEDSA-N 405.495 2.808 0 50 HFAA Cc1c([C@@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cnn1C 14979546 IJIXKHRNZOSLDN-OAHLLOKOSA-N 410.518 2.999 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1c(F)cccc1F)C3 14980386 GEMDKUVHWFKBHO-CYBMUJFWSA-N 418.513 2.945 0 50 HFAA CCCCn1c(CN(C)C[C@H]2COCCO2)cnc1S(=O)(=O)CCCC(C)C 19223863 YMOHHKRRYIOWFR-IBGZPJMESA-N 415.600 2.740 0 50 HFAA COc1ccc(OC)c(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1 19773637 CPBBBBYYMKVBLP-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1nc2ccccc2s1 22800741 LATCCXWFVMAEIK-UHFFFAOYSA-N 410.499 2.781 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccc(Cl)c3)n2)cc1OC 44920716 WUGMATIFQVESPT-UHFFFAOYSA-N 413.861 2.897 0 50 HFAA C[C@@H](C(N)=O)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 71748532 LZEJKNONKKTVFW-AWEZNQCLSA-N 405.930 2.700 0 50 HFAA CSCC[C@@H](NC(=O)c1sc2nc[nH]c(=O)c2c1C)c1nnc2ccccn12 223229802 PVMFFUCUMVWKSH-LLVKDONJSA-N 414.516 2.560 0 50 HFAA O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CN(Cc2ccccc2)CCCO1 225827314 ZDWAIQFVARNWRI-NTKDMRAZSA-N 421.497 2.507 0 50 HFAA C[C@@H]1[C@@H](N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2=O)CCC[C@H]1C 241515677 OGYWDXFIMKJTGX-OLMMMNRUSA-N 421.563 2.549 0 50 HFAA NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 263617406 NQNBBIJAAKNGKX-INIZCTEOSA-N 418.501 2.562 0 50 HFAA O=C1C[C@@H](C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)c2ccccc21 299766941 DZYMYEHAQPOIQS-YLJYHZDGSA-N 422.481 2.920 0 50 HFAA COC(=O)N1CCC([C@@H](C)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 776781999 DRVQOYIUEAAMAG-SSDOTTSWSA-N 416.368 2.527 0 50 HFAA COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1C 952971704 XOJZCKXCSFRAEH-RBUKOAKNSA-N 415.534 2.739 0 50 HFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)ccc1N1CCOCC1 1506419107 XOQYIEZKGITITQ-JOCHJYFZSA-N 403.486 2.738 0 50 HFAA Cc1ccccc1-c1ncc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)s1 1506431391 DAACOTZAPYTXKC-UHFFFAOYSA-N 420.604 2.967 0 50 HFAA O[C@@H]1CN(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1Cc1ccccn1 1529105048 VXHAEAPOZUOJFN-DNVCBOLYSA-N 406.452 3.000 0 50 HFAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccccc1)CC3 1775980473 YDKGFKARTFNZOW-JOCHJYFZSA-N 416.481 2.570 0 50 HFAA COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@H]4CO[C@@H](C(C)C)CN4C3)c(O)n2)cc1 1857713595 RLQZWKMUABRBKP-XGHQBKJUSA-N 411.502 2.690 0 50 HFAA CN(C(=O)C1CC2(CC(=O)C2)C1)[C@H]1CCCC[C@H]1N(C)C(=O)C1CC2(CC(=O)C2)C1 2325713835 IUONMQYIGHLSMZ-BGYRXZFFSA-N 414.546 2.733 0 50 HFAA CC(C)(C)n1nnc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)n1 2325870023 GJFGKKRWKDXBKQ-UHFFFAOYSA-N 405.256 2.733 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)nc(OC)n1 1750153 FCOYOOGAZIDRGF-UHFFFAOYSA-N 420.472 2.608 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC1 2803835 QDEHGBYEDMTJNI-UHFFFAOYSA-N 405.448 2.508 0 50 HFAA CCn1nc(C)c(CNCc2ccc(OC[C@@H](O)CN3CCCC3)c(OC)c2)c1C 11879606 LRFHAJKLIFKCQF-FQEVSTJZSA-N 416.566 2.654 0 50 HFAA CN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCCN(Cc4ccccc4F)C3)cc2C1=O 12453789 ORJQMWHTQMYOEN-QGZVFWFLSA-N 409.461 2.788 0 50 HFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C1(C(N)=O)CC1 12457910 DHPXRMUUWWXZCZ-KRWDZBQOSA-N 407.518 2.508 0 50 HFAA COc1cc(CNCCC2=CCCCC2)ccc1OC[C@@H](O)CN1CCOCC1 12746696 NYSPXXWVSHVDDW-NRFANRHFSA-N 404.551 2.747 0 50 HFAA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@H](C)C3)CC1 13323633 OAIQWJVXBJTNAL-LBPRGKRZSA-N 403.548 2.962 0 50 HFAA COc1ccccc1NC(=S)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(C)c1 13543688 SQACSMWDQUTHBO-QGZVFWFLSA-N 412.515 2.530 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 14535931 VICMRQCQHFKQIS-KRWDZBQOSA-N 402.539 2.878 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)c1 77299171 GJDPSCUCYQODQW-OUMCCJGNSA-N 417.509 2.639 0 50 HFAA COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)n2cc(Cl)ccc2nc1=O 205953543 QCLQDKOTTFFKNM-CYBMUJFWSA-N 418.833 2.766 0 50 HFAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 229662748 IGIVJWKZJGEROJ-WADWEFIESA-N 411.502 2.643 0 50 HFAA Cc1cccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299770833 MVSBLFWJSOFHFA-QFIPXVFZSA-N 413.493 2.800 0 50 HFAA Cc1nc(C)c(CCC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(O)n1 328607153 UWEWIJKPIYMRHX-OPAMFIHVSA-N 411.506 2.647 0 50 HFAA COc1ccc(C2(C(=O)N[C@H]3CCN(c4ccc(C)cc4)C3=O)CCOCC2)cc1 741621155 IQLIERSIAWIKQJ-NRFANRHFSA-N 408.498 2.974 0 50 HFAA O=C1C[C@@H](C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)CN1Cc1ccccn1 952872686 SKWAIGBJMIGUPI-LJQANCHMSA-N 415.497 2.807 0 50 HFAA Cc1cc(C[C@@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)C[C@@H]2O)on1 1704297819 CWDDHLLOWJTQDN-GCJKJVERSA-N 418.969 2.684 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)Nc4cccc(F)c4)C[C@]3(CO)C2)c(C)o1 1772813010 VBSALFJLIYDSCB-BTYIYWSLSA-N 401.438 2.634 0 50 HFAA COCCC(=O)N1CCC2(CCC[C@@H]2NC(=O)c2c(C)nc3sccn23)CC1 1857675787 JCURUOLOJBDMAN-HNNXBMFYSA-N 404.536 2.632 0 50 HFAA COc1cccc(CN2C[C@@H]3[C@H](CNC(=O)c4ncccc4C)[C@H]4CC[C@]3(C2)O4)c1 1857723207 YLCYGTZACBDGEV-FBHSLPMESA-N 407.514 2.808 0 50 HFAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(C(=O)c1nc(=O)n(C)[nH]1)CC2 2100482316 QHXFYBYILKRKLN-FQEVSTJZSA-N 422.485 2.694 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4c[nH]nc4C)C3)[C@@H]3CCCC(=O)N23)c1 2356141592 IIUSBIGLJFBPAM-KSCDAYEDSA-N 422.529 2.811 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 815591 XSWKDXTXUYRIEB-QAPCUYQASA-N 404.488 2.550 0 50 HFAA O=C(NCc1cccnc1)C1CCN(C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 12076235 KVPKDPIIOFJSKE-UHFFFAOYSA-N 424.520 2.854 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)Cc3ccccn3)CCC(=O)N2)c(F)c1 12156651 NNZGOLDJTZDNDG-WAIKUNEKSA-N 413.493 2.948 0 50 HFAA COCCn1c(CN(C)[C@@H](C)c2ccccn2)cnc1S(=O)(=O)CCC(C)C 12317436 HHKFQRYOWLWLCD-KRWDZBQOSA-N 408.568 2.937 0 50 HFAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc(C)cc(C)n1 12446245 XNIYNEHVYIAWEJ-MRXNPFEDSA-N 405.545 2.777 0 50 HFAA COC(=O)c1ccc(CN2CCN(C(=O)Cc3ccccc3Cl)CCC2=O)cc1 14987186 RQXMAWUZYNPGTF-UHFFFAOYSA-N 414.889 2.930 0 50 HFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)CSc3ccccc3)CC2)C1 15080559 ZWIVTMDRGWFJRE-QGZVFWFLSA-N 401.576 2.760 0 50 HFAA O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCc2ccccc2C1 24609755 XUIVTVDPNATWMY-UHFFFAOYSA-N 416.518 2.952 0 50 HFAA CC[C@@H](C)C(=O)Nc1c(C(=O)OC)sc2nc(CN(C)CC(=O)OC)ccc12 39406086 LLKTYSLRFBVUIP-LLVKDONJSA-N 407.492 2.672 0 50 HFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)c1 54146889 LBGPXMOPHXSEHF-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71479546 AUDOMFITSXACRV-OAQYLSRUSA-N 409.578 2.787 0 50 HFAA CN(C)CCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91391000 AVPYROJJJWRXJG-GOSISDBHSA-N 413.566 2.529 0 50 HFAA Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncc3)c3ncnc(N)c23)cc1 146915487 LEBSTCDZKUSVOY-UHFFFAOYSA-N 401.474 2.944 0 50 HFAA in-vitro CCOC(=O)[C@H](OC(=O)c1cnn2cc(Br)cnc12)c1ncccc1C 225526391 KXTDUPYWKJNKNG-CQSZACIVSA-N 419.235 2.656 0 50 HFAA Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 230156734 CZFOYYLZIKOPQH-AVRDEDQJSA-N 407.495 2.742 0 50 HFAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC5CC5)CC4)c3CO2)cc1 263615566 DBJJHZSCVJQKRH-HXUWFJFHSA-N 408.502 2.594 0 50 HFAA Cc1ccccc1NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O 263616368 IHYLZMQXYLVSBF-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(F)ccc(C)c2F)cc1OC 1529139785 UOOFTJFZQUJFNQ-YLJYHZDGSA-N 407.413 2.865 0 50 HFAA COc1cc(CN2C[C@@H]3CN(Cc4ccncc4Cl)C[C@]3(CO)C2)cc(OC)c1 1772806057 YDXVZDLHRQGGKD-GCJKJVERSA-N 417.937 2.679 0 50 HFAA Cn1cnnc1CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705080 RNWBGPQPJCDEFK-FQEVSTJZSA-N 411.550 2.804 0 50 HFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccccc2)CCCN1 1875240501 VNFAWCDXQAFLNL-FQEVSTJZSA-N 407.514 2.719 0 50 HFAA CC(C)(C)CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 2325794123 REJBYQIJHXXIML-YZZKKUAISA-N 405.583 2.720 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@@]34CCCN[C@@H]3CCC4)c2c1 2325840299 WYAMZNHLONHRFW-NVXWUHKLSA-N 408.287 2.991 0 50 HFAA CN(Cc1cnccn1)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 11816727 SBTIFKFEZTYDGH-XMMPIXPASA-N 418.541 2.907 0 50 HFAA CSc1nnc(CNC(=O)c2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 12152376 OMAPYBNVEXIQJC-UHFFFAOYSA-N 423.542 2.815 0 50 HFAA COCCCn1c(CN2CCC(Cc3ccccc3)CC2)cnc1S(C)(=O)=O 12439125 HHFXKWAWTFSZIA-UHFFFAOYSA-N 405.564 2.778 0 50 HFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCN2CCCCO2)C1 12577293 JOXUBBIKQPZKIO-QHCPKHFHSA-N 418.534 2.827 0 50 HFAA COc1ccc(CNCC(C)(C)CO)c(OC[C@H](O)CN2CCCCCCC2)c1 12718632 HDQRIHPCIFNPBY-HXUWFJFHSA-N 408.583 2.809 0 50 HFAA COc1ccc(CCN[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc1 14748425 OXLLYIWROCUNMJ-GOSISDBHSA-N 422.529 2.984 0 50 HFAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCN(C/C=C/c2ccccc2)CC1 19217591 CQKNPSKGWLZWBA-RMKNXTFCSA-N 405.477 2.937 0 50 HFAA CSCCCNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 20599434 BEYCMIXVKYJTJN-UHFFFAOYSA-N 404.624 2.936 0 50 HFAA CCc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(F)cc1 40391754 XSGYNUPRQFTQCG-UHFFFAOYSA-N 403.421 2.774 0 50 HFAA CC(C)Cn1c(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)cnc1S(C)(=O)=O 55166454 ZODPBJFURDANBC-LJQANCHMSA-N 417.575 2.966 0 50 HFAA C[C@@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1n[nH]c(=O)[nH]1 67817897 NKYPDBWGQPAWJB-MRVPVSSYSA-N 422.392 2.984 0 50 HFAA CO[C@H](C)c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1 71498065 ZXJWGMHWHYTDJO-CQSZACIVSA-N 405.472 2.780 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 82108214 NZRHQAJWFJNMBC-HXUWFJFHSA-N 412.578 2.981 0 50 HFAA CCc1cc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)n1 82135182 WIYKBELHUPQVEV-IBGZPJMESA-N 422.577 2.740 0 50 HFAA COC(C)(C)CNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91621043 ZDPINOKCHZMYGH-OAQYLSRUSA-N 413.606 2.871 0 50 HFAA COC(=O)[C@H](CCCN1C(=O)c2ccccc2C1=O)NC(=O)OCc1ccccc1 97756725 GYDDOVLVZQDYTI-SFHVURJKSA-N 410.426 2.531 0 50 HFAA COc1ccc(CCNC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)cc1OC 170624729 VCSILFXXHXNIGQ-CYBMUJFWSA-N 408.454 2.814 0 50 HFAA Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)c1 225433345 ZSGUDZNQDSPWJW-UNMCSNQZSA-N 407.514 2.506 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 229659227 PGMDJWKIMOFXBO-XGHQBKJUSA-N 424.545 2.772 0 50 HFAA COc1ccc(CCN(Cc2ccccc2F)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 824664764 RPOXBTCCMRLJFO-GOSISDBHSA-N 420.506 2.776 0 50 HFAA COc1cccc(CN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]2CCCc3ccccc32)c1 824776125 HJKNOOKKQBNBGA-OAQYLSRUSA-N 421.497 2.995 0 50 HFAA O=C(CCCc1nc(-c2ccncc2)no1)Nc1ccc(CC(=O)NC2CC2)cc1 952969132 BHLMQYIUCGJKMI-UHFFFAOYSA-N 405.458 2.914 0 50 HFAA Cc1ccccc1CN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCc3cnccn3)C2)C1 1857684408 MRTCWKZVYUYUFN-ISKFKSNPSA-N 408.546 2.593 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857707929 ACNPLNNCSLHBGG-QGZVFWFLSA-N 421.526 2.844 0 50 HFAA Cc1cc(C)c2c(CC(=O)N[C@@H]3CN4CCCC[C@@]4(C(=O)NC4CC4)C3)coc2c1 1875243122 QWCWZPROVWGLAJ-CYFREDJKSA-N 409.530 2.984 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cn12 1940195686 YQJRHFZKSRNDQI-UHFFFAOYSA-N 401.470 2.859 0 50 HFAA O=C1NCCC[C@]12CN(Cc1cnc(-c3cccc4ccccc34)nc1)CC[C@@H]2O 2356138430 BGFDCTOITNFJEJ-XUZZJYLKSA-N 402.498 2.760 0 50 HFAA CC[C@H](O)CNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 14990777 PXKSFWWITAGSSK-HNNXBMFYSA-N 407.474 2.716 0 50 HFAA O=S(=O)(NC[C@@H]1CCCN(CCCn2cccn2)C1)c1cccc2cccnc12 15077391 FNPDGHBLVFNESD-SFHVURJKSA-N 413.547 2.512 0 50 HFAA COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 17332929 PBJMBZHVOUZZLN-HXUWFJFHSA-N 407.514 2.701 0 50 HFAA CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1Cc1cccc2ccccc12 19526424 ZMCIQBRMDDNOOY-UHFFFAOYSA-N 420.517 2.791 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cnc(N(C)C)s2)C[C@@H]1CCO 20454304 VTVGWVRXKWMLKM-SFHVURJKSA-N 404.580 2.677 0 50 HFAA O=C(c1cncs1)N1CCC[C@@H](COc2ccc(CN3CCOCC3)cc2)C1 20781852 IVECQCUDLBHAMD-GOSISDBHSA-N 401.532 2.907 0 50 HFAA CS(=O)(=O)N1CC[C@@H](C(=O)N2CCc3ccccc3C2)Oc2ccc(Cl)cc21 38835958 JGQQVUCGVUEDFB-IBGZPJMESA-N 420.918 2.842 0 50 HFAA Cc1cnn([C@H](C)C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c1 77298820 HXXZAXCYCLSOPH-GOSISDBHSA-N 412.490 2.645 0 50 HFAA O=C(c1cnon1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 95524052 NFFZSVADNLGBQE-SFHVURJKSA-N 402.470 2.742 0 50 HFAA COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 148386687 JFYDCBQMLUGBIM-NHYWBVRUSA-N 401.290 2.866 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)N(C)c3cccc(C)c3)C3=C2C(=O)OC3)cc1 169757974 QSVADMFHWQLGQO-OAQYLSRUSA-N 405.454 2.844 0 50 HFAA CC(C)NC(=O)N1CCN(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)CC1 263639623 ARSQNNHFVQLPHK-UHFFFAOYSA-N 407.824 2.699 0 50 HFAA CCCCN(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 299757092 HORMDNRGMIEMPE-XMMPIXPASA-N 407.514 2.970 0 50 HFAA O=C([C@@H]1CCc2cccc(O)c21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 328595876 IBYMVNRJMJPYNE-OAHLLOKOSA-N 420.918 2.609 0 50 HFAA COc1ccc(F)cc1CC(=O)N1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1 328607148 UVGWLSVQRFTVLS-GOSISDBHSA-N 416.497 2.642 0 50 HFAA CS(=O)(=O)c1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1 432708425 NIMZFZWTQAMBNJ-UHFFFAOYSA-N 405.491 2.885 0 50 HFAA CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)ccc1F 732539671 JBXARAPIPVSSCP-AWEZNQCLSA-N 421.494 2.613 0 50 HFAA COc1ccccc1-c1csc([C@@H]2CCCN(Cn3nc4cnccn4c3=O)C2)n1 773346327 WWGFOQOKBVIGDG-OAHLLOKOSA-N 422.514 2.860 0 50 HFAA C[C@](O)(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1 816651833 RBOFNGNPWTXPNM-LJQANCHMSA-N 410.301 2.950 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)Nc3nnc([C@@H](C)OC)s3)CC2)c1 1506414472 QITVEJFSCODBGR-GFCCVEGCSA-N 404.492 2.745 0 50 HFAA O=C(C1CCCC1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857673613 WSAKILSLPCDAKG-HXUWFJFHSA-N 404.482 2.613 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1cccc(CN(C)C)c1 1857687149 OQIWGUPKRYLCTF-LJQANCHMSA-N 413.547 2.774 0 50 HFAA COc1ccc([C@H]2C[C@H](C)N(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)C2)cc1 1875259724 LCPRSXJNQWRGFB-HOCLYGCPSA-N 407.470 2.738 0 50 HFAA COC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1[C@H](C(=O)OC)CC2 622245 BZQPMHRJWHCVHM-ZWNOBZJWSA-N 417.439 2.516 0 50 HFAA O=C(CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 826689 QNSDMEHBHFEFDW-HNNXBMFYSA-N 402.403 2.528 0 50 HFAA COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908010 HBXVYRJXZODNTC-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 8767650 AFSPWBARRDYUGD-HFQYIWAZSA-N 416.549 2.921 0 50 HFAA CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 11859193 QHWQRSRLVPZOAH-FWDPORAESA-N 401.168 2.778 0 50 HFAA C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 12326410 AZFDXSFIMIMMEB-NSHGMRRFSA-N 412.530 2.914 0 50 HFAA CCN1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 12433865 FOOOMQOSADHZGM-FQEVSTJZSA-N 418.607 2.889 0 50 HFAA Cc1nn(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)c2ccccc12 12580210 QMDOLBOZNPUDRK-NRFANRHFSA-N 418.541 2.918 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)CC1 12705316 OIRWKTLIHYUIIR-UHFFFAOYSA-N 424.520 2.969 0 50 HFAA Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N(CCc4cccc(F)c4)C3)CC2)n1 14959526 OWNWUQWWEARSNO-FQEVSTJZSA-N 424.520 2.659 0 50 HFAA CC(C)Cn1c(CN2CCCC[C@H]2CO)cnc1S(=O)(=O)Cc1ccccc1 15074657 VLZCQMSMDKRFRX-IBGZPJMESA-N 405.564 2.860 0 50 HFAA O=C(O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1I 19788605 VKLXLVSWOZIPLZ-NTEUORMPSA-N 409.179 2.852 0 50 HFAA CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCC[C@@H]1O 72442129 SBNAYFUCWOBHDX-MSOLQXFVSA-N 414.955 2.503 0 50 HFAA O[C@@H](COc1ccccc1C(F)(F)F)Cn1ccnc1I 170613397 AIIKBOOADANJGN-SECBINFHSA-N 412.149 2.946 0 50 HFAA CCOC(=O)c1sc(NC(=O)N2C[C@H](C)N(C)C[C@H]2C)c(C(=O)OCC)c1C 252476980 FYYXKKLOKNZOFL-NWDGAFQWSA-N 411.524 2.966 0 50 HFAA Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 253400571 VLURKHBTSLQPKN-ANRCHONUSA-N 423.517 2.950 0 50 HFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 488858123 BQDVZEIIVADUJR-JOCHJYFZSA-N 421.545 2.714 0 50 HFAA Cc1cc(NC(=O)COC(=O)c2nnc(O)c3ccccc23)n(-c2ccccc2C)n1 952962070 ZJKDLMRFJVDFIZ-UHFFFAOYSA-N 417.425 2.933 0 50 HFAA Cc1ccccc1CC(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 952989303 QHHMUJPCJAASCS-HXUWFJFHSA-N 400.544 2.896 0 50 HFAA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCCN(Cc2cccnc2)CC1 1506418396 RDHSJASRZXMMIG-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COc1cc(-c2onc(NCC3(N(C)C)CCN(C)CC3)c2C(=O)O)ccc1F 1704307584 ARIIVDVQQKAHDZ-UHFFFAOYSA-N 406.458 2.625 0 50 HFAA O=C(NCc1ccccn1)[C@@]12CCCCN1C[C@@H](Nc1cnc3ccccc3n1)C2 1857684202 CRMVCUDHWNMJKG-MBSDFSHPSA-N 402.502 2.750 0 50 HFAA Cc1noc(C)c1CN1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875240799 ZXMFEJMIMAHYGT-HXUWFJFHSA-N 412.534 2.684 0 50 HFAA C[C@@H](NC(=O)[C@H](Cc1cn(-c2cncc(C(=O)O)c2)nn1)C1CC1)c1cccc(F)c1 1875327105 RBWFGQOMOOSNKK-ZUOKHONESA-N 423.448 2.946 0 50 HFAA Cc1cc(Br)cc2cc(C(=O)NCC[C@H](C(=O)O)c3cn[nH]c3)[nH]c12 2325851862 LMVPEHKJHYKPEH-ZDUSSCGKSA-N 405.252 2.950 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC[C@@H]1[C@H]1CCN(C(=O)c2cncc3nc[nH]c23)C1 2332239576 QRQHSMFBXLCMJV-MGPUTAFESA-N 419.485 2.739 0 50 HFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(OC(F)(F)F)c2)C1=O 2356144179 LXYXTVIXLUNWPG-GOSISDBHSA-N 400.397 2.829 0 50 HFAA O=S(=O)(NCCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1862599 KJQGDOJPVKOEIL-UHFFFAOYSA-N 423.343 2.640 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2cccs2)CC1 6702412 WCLNXUYJPJOIAB-UHFFFAOYSA-N 401.488 2.844 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3ccccc3)c2)CC1 11879366 VNSOZHZYBIMMQN-QFIPXVFZSA-N 412.530 2.601 0 50 HFAA C[C@@]1(C2CCN(Cc3ccccn3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O 12157105 CHNHKVJRWQOKCJ-DEOSSOPVSA-N 404.514 2.772 0 50 HFAA CN(Cc1cc(C2CC2)[nH]n1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15062141 DUUNTZNUSCFNAS-NRFANRHFSA-N 404.461 2.551 0 50 HFAA O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 19885149 FWDWSABHNKBDDJ-UHFFFAOYSA-N 417.550 2.797 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19889680 BWNOUZJRXJKPTO-JTHBVZDNSA-N 419.525 2.502 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 49604895 MFWGSYNXWRPJDO-RQXXJAGISA-N 407.857 2.771 0 50 HFAA biogenic COc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c(Cl)c1OC 67757389 OMUDBPAVWKXLDJ-RTBURBONSA-N 419.953 2.862 0 50 HFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@]4(C=C(CN(C=O)C2)[C@@H]31)OC[C@@H](C)O4 214473841 RQZZCEGUBKQEEX-YOSASSMQSA-N 422.275 2.736 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)cc2)C1 426193480 IPABTMMDVOCIPX-LGJACCSKSA-N 413.949 2.727 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1CCN(Cc2cc(F)cc(F)c2)CC1 952981929 VNNWSOXHNJFBIK-UHFFFAOYSA-N 401.457 2.759 0 50 HFAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857716277 FIPRRRMQUJXGAQ-REWPJTCUSA-N 409.461 2.644 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3ccnn3-c3ccccc3)C1)CC2 1857728707 NAJKKXDTFWGDEE-HSZRJFAPSA-N 404.518 2.914 0 50 HFAA COc1ccccc1CC(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356152368 GQNWAROUUBKMJE-YDHSSHFGSA-N 400.519 2.525 0 50 HFAA CCOc1ccc(-c2c(C)sc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 646383 VLDUASMTHBJSJQ-UHFFFAOYSA-N 413.499 2.691 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1F 1187237 CTHWWGDUPNAQSZ-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COCCCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 2814802 KIMZOPCGWZMRIT-INIZCTEOSA-N 406.504 2.786 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 4764765 FWDPWEKTTXOMLS-DBVUQKKJSA-N 411.502 2.540 0 50 HFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 4818910 FFCAWQQEPFXANX-ZWKOTPCHSA-N 400.475 2.507 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCc2cccc(F)c2)c1=O 12034362 UOTPAURXPSXTRG-UHFFFAOYSA-N 421.472 2.758 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 12091652 IQRKMJYHFIWWOL-FQEVSTJZSA-N 403.571 2.697 0 50 HFAA CC(=O)N1CCN(C(=O)Cc2c3c(n(Cc4ccccc4)c2C)CCCC3=O)CC1 12764220 CHCQYHICPRUVJS-UHFFFAOYSA-N 407.514 2.597 0 50 HFAA O=C(c1ccccc1Br)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530381 JMCRQSZOXMTIGI-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA O=C(C1CCN(Cc2nnc(-c3cccnc3)o2)CC1)N1CCc2ccccc2C1 40946591 BDDSZTZAJXGYCE-UHFFFAOYSA-N 403.486 2.929 0 50 HFAA O=C1C[C@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1CCc1ccccn1 104446160 OGWJMUACOGBEPS-HMHJJOSWSA-N 417.509 2.722 0 50 HFAA CN(C)c1ncc(Br)cc1C(=O)NCCc1nc2c(F)cccc2n1C 170626425 QEGHMTNAARHJKK-UHFFFAOYSA-N 420.286 2.908 0 50 HFAA COc1ccc([C@@H](CNC(=O)CN2CCC[C@@H](O)C2)c2c[nH]c3ccccc23)cc1 195494739 SQLHTDDHMVXOGF-WIYYLYMNSA-N 407.514 2.881 0 50 HFAA CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C[C@@H]1O 222180981 VEYOVXYWCIKBNL-TYPHKJRUSA-N 416.562 2.950 0 50 HFAA NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 263617407 NQNBBIJAAKNGKX-MRXNPFEDSA-N 418.501 2.562 0 50 HFAA COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)Nc1ccc(NC(C)=O)cc1 470035251 ZHYMIZOKMGNYPC-LJQANCHMSA-N 423.391 2.847 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 772856212 HIZOGCCHYPKULJ-JKSUJKDBSA-N 401.507 2.959 0 50 HFAA C[C@@H]1CN(c2ccnc(C(=O)N[C@H]3COc4c(F)cc(F)cc4C3)c2)C[C@@H](C)O1 1353871469 BPSKDUVFMIVSRY-XJKCOSOUSA-N 403.429 2.707 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1529152248 QXGSKJPTXBWBQM-FGZHOGPDSA-N 407.514 2.616 0 50 HFAA O=C(c1csc(-c2ncccn2)n1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704348507 WHOJJYGXKBXYJW-DNVCBOLYSA-N 417.494 2.824 0 50 HFAA COc1cccc(-c2cc(CC3(O)CCN(CC[C@H]4COCCO4)CC3)on2)c1 1775983015 XBSJLOSCTYZUPL-IBGZPJMESA-N 402.491 2.525 0 50 HFAA COC(=O)c1cncc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)c1 1857735794 BIRUQJOXPKYQEU-SFTDATJTSA-N 409.486 2.546 0 50 HFAA Cc1c([C@@H](C)NC(=O)NCc2cnn(C)n2)cnn1-c1cccc(C(F)(F)F)c1 1875257488 CNWAGDIENHESRF-LLVKDONJSA-N 407.400 2.888 0 50 HFAA COc1cc(-c2cn(C[C@@H]3CCN(C(=O)C[C@@H](C)CC(=O)O)C3)nn2)ccc1Cl 1875354243 RYOBXMNEADMRDI-ZIAGYGMSSA-N 420.897 2.957 0 50 HFAA Cc1sc2nc(-c3cccnc3)nc(N3CCN4[C@@H](CCS4(=O)=O)C3)c2c1C 1875359863 RKVLSLOPWAGFBG-HNNXBMFYSA-N 415.544 2.594 0 50 HFAA Cc1ccccc1CN1CCn2c(nn(CCCOc3ccc(F)cc3)c2=O)C1=O 2065372202 MGPATPIPFUDIPM-UHFFFAOYSA-N 410.449 2.617 0 50 HFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2sccc2Cl)CC1=O 2325819817 QUOPFLHSHQDWJH-DGCLKSJQSA-N 412.920 2.816 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)c4cncs4)[C@H]3C2)sc2nccn12 2325875913 FPMAXTSDJBSMGB-MELADBBJSA-N 415.544 2.831 0 50 HFAA Cc1c(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c1C(=O)CCC2 2356157921 SBBYDJLDTYQPDT-HSZRJFAPSA-N 407.518 2.818 0 50 HFAA O=C(NCc1cc(-c2cccnc2)no1)c1cc2c(s1)C1(CCNCC1)OCC2 2356164847 JAFQHPWWLQSZRA-UHFFFAOYSA-N 410.499 2.880 0 50 HFAA COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 686823 IRSATCWIINNKEA-UHFFFAOYSA-N 404.488 2.658 0 50 HFAA COc1cc(-n2nnnc2SCC(=O)NCc2ccccc2)c(OC)cc1Cl 1121737 IDCLPRVURBCMOP-UHFFFAOYSA-N 419.894 2.741 0 50 HFAA Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 2859650 QEIGDBUCQZDZPE-AWEZNQCLSA-N 401.536 2.765 0 50 HFAA Cc1cccc(N2CCN(C(=O)Cn3ncc4c([nH]c5ccccc54)c3=O)C[C@@H]2C)c1 6900205 VAPLURKSFHYQFR-KRWDZBQOSA-N 415.497 2.924 0 50 HFAA COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12431453 AJOAAEWXPFJSER-QFIPXVFZSA-N 423.513 2.903 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCCc1ccccn1)C2 14536753 ZCBNBCVVOIMCNT-SFHVURJKSA-N 407.493 2.574 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCSc1ncn[nH]1 20450555 XFEKISXUDYLKMT-UHFFFAOYSA-N 421.530 2.607 0 50 HFAA COc1cc(CN(C)CCN(C)C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 23361245 GSUYCLCMJUTGFO-NRFANRHFSA-N 407.599 2.693 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nc(C)cs2)[C@@H]3C1=O 77470727 VNNPZZWCAZCJOG-JWVYWZTKSA-N 403.548 2.628 0 50 HFAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 169752431 USEYKWIJXZPJCV-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1Cl 242273628 YEMXTSVNUMEDGD-JPQMIFPKSA-N 414.936 2.558 0 50 HFAA CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 431577697 KERSWZHELMSPFY-MRXNPFEDSA-N 412.515 2.973 0 50 HFAA COc1ccccc1[C@H](CNC(=O)c1cn(C2CC2)nn1)NC(=O)OC(C)(C)C 1354646801 RKAMOERSVGOQLE-HNNXBMFYSA-N 401.467 2.617 0 50 HFAA O=C1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccc(F)cc1 1506410023 QQXODTJNOAUIPF-QHCPKHFHSA-N 411.521 2.761 0 50 HFAA Cc1ccc(CN2C[C@@H]3CN(Cc4ccc5c(c4)OCCO5)C[C@@]3(CO)C2)s1 1772810274 FOFGJLFFIFWLLV-AVRDEDQJSA-N 400.544 2.754 0 50 HFAA O=C(NCCC(=O)N1CCCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857711668 BWCFSFXPCZWPFE-CQSZACIVSA-N 404.898 2.826 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCc2ccc(O)cc2)cn1 1857718654 ZHAMJTGKHXJRJD-GMAHTHKFSA-N 412.534 2.513 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Nc3ccccc3F)CC(=O)N2[C@H]1c1ccccc1 1857724302 UAZZFIUKSMVYJZ-FTRWYGJKSA-N 411.433 2.805 0 50 HFAA COCCOc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3ccsc3)nc2)c1 1875343029 DCDGMUDFCHFUIM-UHFFFAOYSA-N 418.496 2.954 0 50 HFAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1940195690 YWPNITGCNWZUIV-RTWAWAEBSA-N 411.502 2.700 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 783944 QYXLIAXSJINTIV-MRXNPFEDSA-N 402.516 2.973 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccccc2-n2cccn2)CC1)C1CC1 12584950 DWPSLIJJCYGKMZ-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA O=C(Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13322679 FTXKGWUXFKXLFH-UHFFFAOYSA-N 424.320 2.988 0 50 HFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cccc(OC)c1)CC2 14744130 FTXMAUOXPNVQEB-UHFFFAOYSA-N 414.550 2.872 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N(Cc1ccccc1)CC1CC1 55182820 IYRRKYJHWLIERN-QFIPXVFZSA-N 409.505 2.955 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccoc3)[C@@H]4C2=O)cc1C 77285258 ICYWYEJURZRFOT-JCUDRXCFSA-N 406.482 2.837 0 50 HFAA C[C@H]1CCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95505966 GMZXMHVFZIRNRF-ZDUSSCGKSA-N 400.928 2.767 0 50 HFAA Cc1cccc2c1ccn2CCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 170622171 NLUFSPUIDNHMFN-MRXNPFEDSA-N 401.470 2.995 0 50 HFAA COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)n2cc(Br)ccc2nc1=O 205960060 VLUXGMQTNPGKRA-CYBMUJFWSA-N 419.231 2.563 0 50 HFAA CC(C)(C)[C@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 239174306 PSXHFTHTVFDMEV-VIZYAEIXSA-N 402.516 2.706 0 50 HFAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccccc1N1CCOCC1 952973830 GNXYKKHHDZCZOU-WVKNIADZSA-N 407.518 2.593 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)c(C)s2)n[nH]1 1506411114 ZITIUNQDNKGRGX-CYBMUJFWSA-N 406.537 2.750 0 50 HFAA O=C(CC[C@@H](C(=O)OCc1ccccc1)N1C(=O)CCC1=O)OCc1ccccc1 1857799002 IZLXFNWEJLNTHM-IBGZPJMESA-N 409.438 2.771 0 50 HFAA O=C(O)c1cccc(-c2cn(C[C@H]3CCCN(C(=O)Cc4cccs4)C3)nn2)n1 1875355717 OFBDSTGXXGNFEO-AWEZNQCLSA-N 411.487 2.581 0 50 HFAA COc1csc(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2)c1OC 2325874367 KBNCJYQAKFGDLR-NSHDSACASA-N 400.250 2.911 0 50 HFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2cccc(Cl)n2)c2c1[C@@H](C)CC2=O 2325900848 LHNXEJXEPYZEOD-NSHDSACASA-N 408.863 2.617 0 50 HFAA Cc1ccc2nc(O)cc(C(=O)N3CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C3)c2c1 2356136738 HMXVPVTZQANFKG-PGRDOPGGSA-N 400.475 2.963 0 50 HFAA COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)o2)cc1OC 792128 JTLDVTFGFXLPMV-UHFFFAOYSA-N 400.460 2.600 0 50 HFAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 1072677 WIZLOTVFVRXCHK-GOSISDBHSA-N 418.515 2.778 0 50 HFAA CCN(c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 2900750 OEESGKMREZFWLR-QGZVFWFLSA-N 417.405 2.825 0 50 HFAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)O)cc1 6624413 ITGGGKCDGOWUFJ-NRFANRHFSA-N 414.458 2.844 0 50 HFAA biogenic O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCCc1cn2ccsc2n1 11785096 JDMFMLWHKDYUJD-IBGZPJMESA-N 402.545 2.788 0 50 HFAA Cc1nc(N2CCC(NCCc3ccco3)CC2)nc2cc(S(C)(=O)=O)ccc12 11841357 RWPHOKZLACDEQG-UHFFFAOYSA-N 414.531 2.736 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(c4cc(OC)ncn4)C3)C2=O)c1 12297861 KIBRFINZFROLNY-NRFANRHFSA-N 400.454 2.652 0 50 HFAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1cncs1)C2 14533320 HDQZZTVNIGVEAO-UHFFFAOYSA-N 401.536 2.867 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccco1 32102407 UTVOCTBBLBZACF-OAHLLOKOSA-N 402.878 2.792 0 50 HFAA COCCn1c(CN(C)[C@@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC1CC1 55182951 IGWCKBYKRHUMQY-INIZCTEOSA-N 421.563 2.915 0 50 HFAA CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)nc(C)n1 72437577 VSYBDXLLPBFPQD-UHFFFAOYSA-N 419.489 2.762 0 50 HFAA CCN1CCN(CCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CC1 170599566 BPSNPEFFJLUZFI-UHFFFAOYSA-N 402.539 2.950 0 50 HFAA O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccc(O)cc1 263587111 CGOBNYNLZUEMPZ-IBGZPJMESA-N 403.438 2.719 0 50 HFAA COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)nc(CO)n4C)cccc21 263588188 QEVLUXZTXPJTHI-UHFFFAOYSA-N 408.458 2.684 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(OC)cc4OC)c3CO2)cc1 263617927 QLRWXICCZRKCJX-IBGZPJMESA-N 410.430 2.828 0 50 HFAA CC[C@@H]1CN(CCC(=O)N2CCN(c3ccncc3)CC2)Cc2cc(OC)ccc2O1 299775262 AYTLFDLJGNOBJI-OAQYLSRUSA-N 424.545 2.802 0 50 HFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cn2ccsc2n1 1857691840 FIFFNKHFFVVREM-HLLBOEOZSA-N 402.907 2.993 0 50 HFAA Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)C2)cc1 1857715901 NKUDUXUYROOZEJ-CQSZACIVSA-N 400.504 2.613 0 50 HFAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CC=C(c2ccccc2)CC1 2100483219 BNJIUUCIGFMIQH-PKTZIBPZSA-N 403.482 2.828 0 50 HFAA Cn1cc(Oc2ccc(NC(=O)COc3ccc(-c4nc(=O)o[nH]4)cc3)cc2)cn1 2325850100 LVTPSWZDLKBNOM-UHFFFAOYSA-N 407.386 2.573 0 50 HFAA Cc1c(CC(=O)NC2(C(=O)O)CCC(F)(F)CC2)nnn1-c1cccc(Cl)c1 2325876288 PROPOBOAGUTRCO-UHFFFAOYSA-N 412.824 2.921 0 50 HFAA CCc1nc(C)c(CC(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)c(O)n1 2356142177 HNRDGJYWHGOMTD-UHFFFAOYSA-N 411.502 2.695 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2cccc(OCCN)c2)CC1 2356160147 FOKLXKQCPCAVPP-UHFFFAOYSA-N 410.514 2.666 0 50 HFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(OC(C)C)c(OC)c2)C1=O 2356169245 XRMUAWSPIMHFTQ-JOCHJYFZSA-N 404.507 2.726 0 50 HFAA CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)c(C(N)=O)c1C 995824 ADNWGJIMKLZGDM-UHFFFAOYSA-N 401.238 2.940 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2Cl)cc1 1126947 NAFRJKCCXRTCOE-UHFFFAOYSA-N 422.934 2.698 0 50 HFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c3cccnc23)C1 2808010 HTAWKTAMGBECOD-NSHDSACASA-N 412.309 2.607 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CN2CCCCC2=O)C1 12573272 JTCMSEXJBIENKO-QHCPKHFHSA-N 400.519 2.722 0 50 HFAA COc1cc(CNC(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)cc(OC)c1 14970077 SYACQYNQFCZWQU-UHFFFAOYSA-N 411.414 2.732 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 14977330 QLSPOZBGOBIKLH-QGZVFWFLSA-N 416.518 2.916 0 50 HFAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 14994391 DKSRHKUJDIFMPC-UHFFFAOYSA-N 414.535 2.609 0 50 HFAA COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 16029955 WBDKJCSXUBZDLL-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CCOC(=O)N1CCN(Cn2nc(COc3ccc(C)c(C)c3)n(C)c2=S)CC1 19854037 OJEQLUQENOZCQD-UHFFFAOYSA-N 419.551 2.879 0 50 HFAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)c2C)cc1 39461499 YQKFDBYBTLCKIT-LBPRGKRZSA-N 403.508 2.579 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccncc4)C3)C2=O)c1OC 72160972 QXZDFMXDCNPESB-HSZRJFAPSA-N 409.486 2.754 0 50 HFAA COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)C(=O)[C@@H]3O2)cc1 252430955 VQDQWTWFTKEJMK-NDYOWHOSSA-N 400.427 2.635 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(N2CCOCC2)c1 252537471 LHEQWKFIRWAXFI-LJQANCHMSA-N 408.458 2.642 0 50 HFAA CSc1ncccc1C(=O)N1CCC[C@H](CNC(=O)Cc2c(C)noc2C)C1 952962673 GRMILBCAHSDIDF-OAHLLOKOSA-N 402.520 2.619 0 50 HFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cnc(N)nc2-c2ccccc2)n1 1506418797 TUMUYCPCOFNLKJ-INIZCTEOSA-N 408.462 2.665 0 50 HFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cccnc1C(F)(F)F 1857678364 WPEYUTSEHIXAHI-NORZTCDRSA-N 406.426 2.985 0 50 HFAA CC(C)c1nc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccncc2F)cs1 1857684370 LJLPNHPKAFAOMV-IRXDYDNUSA-N 402.495 2.859 0 50 HFAA COc1ccc(-n2ccnc2CN2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)cc1 1857713151 YZUQBZHBUFIWIJ-VWNXMTODSA-N 407.514 2.669 0 50 HFAA C[C@@H](OC(=O)/C=C/c1cncs1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 1875264875 ZNJLWSHRVOHLPQ-ZHOHCUKTSA-N 403.504 2.883 0 50 HFAA C=CC(=O)NCCC(=O)N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1875372180 YOXOOGISLXVMPX-WLRWDXFRSA-N 409.845 2.797 0 50 HFAA COC(=O)c1cc(O)cc(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)c1 1940193537 PQZZKWNUDSYZCA-UHFFFAOYSA-N 423.469 2.672 0 50 HFAA Cc1cc(N2CC[C@@H]3C[C@@H](N4CCOCC4)CC[C@@]3(C(=O)NCC3CC3)C2)ccn1 2100483372 OTXHPFWRNHNFCJ-ZFGGDYGUSA-N 412.578 2.614 0 50 HFAA O=C(CCc1cn[nH]c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356153434 GWQULMLSELJUGU-MLNNCEHLSA-N 406.530 2.813 0 50 HFAA CC(C)(C)c1nnc2sc(SCC(=O)c3ccc4c(c3)OCCO4)nn2c1=O 623036 GBODLDMNXWLBRB-UHFFFAOYSA-N 418.500 2.590 0 50 HFAA COc1ccc(C(=O)COC(=O)Cn2nnc3ccccc32)cc1Br 2318969 XHZJGWJNPLASDZ-UHFFFAOYSA-N 404.220 2.629 0 50 HFAA COc1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl 4827784 BHIRSHFWGAKQTN-UHFFFAOYSA-N 410.879 2.956 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 13544892 LNBOYXKVWUAFFX-UHFFFAOYSA-N 418.544 2.769 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(OC)cc2)CC3)CC1 14951280 ZMTZEJOCEUPSFX-HXUWFJFHSA-N 415.534 2.598 0 50 HFAA COCCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccon2)n1Cc1ccccc1 19742314 XJDYQNFVQZSARA-MRXNPFEDSA-N 418.519 2.533 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CC1 55182819 IYRRKYJHWLIERN-JOCHJYFZSA-N 409.505 2.955 0 50 HFAA O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(Cl)cc1 64007114 MAAMEBMNKJKOLB-WBVHZDCISA-N 402.911 2.520 0 50 HFAA CN(Cc1ncc[nH]1)C(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71479547 AUDOMFITSXACRV-NRFANRHFSA-N 409.578 2.787 0 50 HFAA CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(F)c(F)cc1NC(C)=O 225522691 LBPSFPSUBVCEMI-LLVKDONJSA-N 401.410 2.792 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 252536332 IEKOVMKHDPVVEZ-SCLBCKFNSA-N 405.458 2.848 0 50 HFAA O=C(NCCN1CCCCC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263616668 JZNOMJZGTFRQQB-UHFFFAOYSA-N 407.514 2.824 0 50 HFAA Cc1ccc(SCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)cc1 426412868 ZTEBKIWZXRQJFQ-NRFANRHFSA-N 411.571 2.902 0 50 HFAA COc1ccc2nc(CNC(=O)c3cnn4c(C(F)(F)F)cc(C)nc34)[nH]c2c1 670455059 GZYXCIKWUDVWDU-UHFFFAOYSA-N 404.352 2.871 0 50 HFAA CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C)c3c[nH]nc3c2)c1 1320431279 LRXNIXGPJGGXFB-UHFFFAOYSA-N 423.292 2.794 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 1506416961 HCZACAUBECHJTP-CYBMUJFWSA-N 420.516 2.729 0 50 HFAA CCn1ncnc1CN1C[C@H]2CN(CCC3=C(C)CCCC3(C)C)C[C@@]2(CO)C1 1772708546 HZBAITONCUUHKY-XXBNENTESA-N 401.599 2.941 0 50 HFAA C[C@H]1COC[C@H]2CN(Cc3cc(Cl)ccc3OCCCn3ccnc3)CCN12 1875246067 YDSZDINGSIFYRP-FXAWDEMLSA-N 404.942 2.911 0 50 HFAA C[C@@H](NC(=O)c1cnc2[nH]c(O)nc2c1)c1csc(NC(=O)OC(C)(C)C)n1 1875358939 NUDXYXQPNCUMJL-MRVPVSSYSA-N 404.452 2.958 0 50 HFAA O[C@@H]1CN(Cc2ccncc2Cl)C[C@]12[C@H](c1ccccc1)[C@H]2CN1CCOCC1 2100534465 JRFUVNREOCSIBN-JMJGKCIBSA-N 413.949 2.644 0 50 HFAA O=C(NCc1nc2ccccc2o1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356146017 NYGZNADFYXHDRC-SWHMAYCHSA-N 402.454 2.776 0 50 HFAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 1068013 SAKYTNRXGXRXBW-NRFANRHFSA-N 421.453 2.649 0 50 HFAA Cc1ccc([C@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 11869482 HIZKWWSOKIZBNV-QGZVFWFLSA-N 422.533 2.599 0 50 HFAA CCCN1CCC([C@@]2(CC)NC(=O)N(C[C@@H]3COc4ccccc4O3)C2=O)CC1 12154495 XFBHYEJUJQQMSX-VGOFRKELSA-N 401.507 2.649 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CCc1ccccc1 12433308 SNQHKUKBOAFCSI-UHFFFAOYSA-N 402.520 2.928 0 50 HFAA COCCCn1c(CN(C)Cc2cc3cc(F)ccc3[nH]2)cnc1S(C)(=O)=O 12440201 JCKXFTYJSCRBPX-UHFFFAOYSA-N 408.499 2.576 0 50 HFAA COc1ccccc1NC(=S)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc(C)c1 13543686 SQACSMWDQUTHBO-KRWDZBQOSA-N 412.515 2.530 0 50 HFAA Cc1cc(C)cc(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 15006035 UJUPKAQMAJLZFF-UHFFFAOYSA-N 400.544 2.812 0 50 HFAA CSc1ccc2c(c1)CCN(Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)C2 19771025 JWRZCKDIBYPEJF-SFHVURJKSA-N 421.588 2.746 0 50 HFAA CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cn1 19938848 GPEZTPKOWWBHEV-LJQANCHMSA-N 404.518 2.904 0 50 HFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2C)CN1C1Cc2ccccc2C1 20323264 CNQQZTNXWDDJPP-GGAORHGYSA-N 407.558 2.758 0 50 HFAA Cc1occc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 22852461 AJJZGFDEARQKFQ-LJQANCHMSA-N 411.502 2.739 0 50 HFAA O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 46450373 AEBPYOVBCWQPBR-UHFFFAOYSA-N 402.607 2.941 0 50 HFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169619869 CIVPYIYPPGXZPD-CZYKHXBRSA-N 418.493 2.574 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NCc1ccccc1Cl 169752484 VVHYJSODAORODN-UHFFFAOYSA-N 422.872 2.625 0 50 HFAA COc1cc(CC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 170601176 CTPBTUFXACJHMD-UHFFFAOYSA-N 420.506 2.938 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Oc1ccc(Br)cc1 239434041 YXLOWKBVOAIKOB-OZINRZGZSA-N 416.271 2.798 0 50 HFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cnc2ccccc2n1 241588562 PEBXVVBEAYAVJU-HXUWFJFHSA-N 409.471 2.699 0 50 HFAA CN(C)C(=O)[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 252486911 OAVXFJLFGPXSRB-OTWHNJEPSA-N 403.429 2.924 0 50 HFAA Cc1ccc2c(c1)cc(CN[C@H]1CCS(=O)(=O)C1)c(=O)n2Cc1cccc(F)c1 299780792 CRCKZASSQZJKLG-FQEVSTJZSA-N 414.502 2.774 0 50 HFAA CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1 328590457 DCLCLWMNLWPZMX-UHFFFAOYSA-N 402.472 2.691 0 50 HFAA COC(=O)C1=C(COC(=O)/C=C/c2ccc(O)cc2)N(C)C(=O)N[C@H]1c1ccccc1 914621364 FOLFPMALRXQIEL-BGVYSJOJSA-N 422.437 2.772 0 50 HFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCN(c2ncnc(C)c2C)CC1 952962249 CVVBWYSAILHYLU-UHFFFAOYSA-N 413.503 2.568 0 50 HFAA CCn1ncnc1[C@H](C)NC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704316032 IYERIJPSCMMAHB-NSHDSACASA-N 402.430 2.658 0 50 HFAA O=C(CCc1ccncc1)N1C[C@H]2CN(CCSc3ccccc3)C[C@@]2(CO)C1 1772712599 VCPFHOHCJNVXQV-OFNKIYASSA-N 411.571 2.559 0 50 HFAA CC(=O)N1C[C@H]2CN(C(=O)CSCc3ccccc3Cl)C[C@@]2(CCC(=O)O)C1 1772805322 KLCRYWARKSCQEN-OXJNMPFZSA-N 424.950 2.745 0 50 HFAA COCc1noc(CN2CC[C@]3(C2)CN(Cc2csc4ccccc24)CCO3)n1 1857699084 HEIOHJHWGLILEI-NRFANRHFSA-N 414.531 2.908 0 50 HFAA CCn1c(-c2cc(Br)cc3[nH]ncc23)nnc1N1CCC(F)(CO)CC1 1875316206 ANQAGGCVJCLAEP-UHFFFAOYSA-N 423.290 2.905 0 50 HFAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc2n(n1)CCOC2 1875383401 SFPMGETZCCVDNC-DENIHFKCSA-N 422.529 2.569 0 50 HFAA COc1ccc(-n2cnnc2SCC(=O)N[C@H](CC2CCCCC2)C(=O)O)cc1 2325851812 KHEGSDKGKCEGDV-QGZVFWFLSA-N 418.519 2.908 0 50 HFAA O=C(NCCOc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 2813978 CFPBCCZTQBOLAG-CQSZACIVSA-N 403.276 2.997 0 50 HFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)c1OC 4113557 LXDLUGBBUIECNR-LJQANCHMSA-N 412.442 2.954 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@]1(CC(=O)O)CC(c2ccc(F)cc2)=NO1 4785006 HZVJFCNVKYGWON-FQEVSTJZSA-N 400.362 2.589 0 50 HFAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 12073220 FYNISAASYINGJU-QHCPKHFHSA-N 405.542 2.858 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)NCCn3ccnc3C)nc(C)c2c1 14989327 YFFFDMNMYRSOOT-FQEVSTJZSA-N 408.506 2.627 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccccn1 16474946 PBAUOMAKPUBERH-UHFFFAOYSA-N 423.494 2.528 0 50 HFAA O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@H](CN2CCOCC2)C1 19638090 INKDBCNOGTWMLL-OAHLLOKOSA-N 421.444 2.716 0 50 HFAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(NCCCN3CCOCC3)c12 20256768 YINPTDFVUHFWPK-UHFFFAOYSA-N 405.568 2.910 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1OC 39362813 XKUKMCAKUJDKMV-UHFFFAOYSA-N 405.516 2.710 0 50 HFAA Cc1c(CN[C@@H](CCn2cncn2)c2ccccc2)c2ccccc2n1CC(N)=O 55271593 DBXZZWXAHOFUQT-NRFANRHFSA-N 402.502 2.948 0 50 HFAA COc1ccccc1-c1noc(CCC(=O)N2CCC(Cc3noc(C)n3)CC2)n1 65372279 ZGAXVDAGKAXNJZ-UHFFFAOYSA-N 411.462 2.851 0 50 HFAA C[C@H]1CN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CCN1C 71765156 VGRSQNQEEJQQLZ-KRWDZBQOSA-N 411.575 2.846 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 169772322 TYLDKFBABQCNEV-UHFFFAOYSA-N 410.396 2.783 0 50 HFAA CCN(CC)[Sn](N(CC)CC)(N(CC)CC)N(CC)CC 170153605 IFVSPCQTOMZHOP-UHFFFAOYSA-N 407.235 2.789 0 50 HFAA O=C(CN[C@]1(CO)CCCc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 225648830 DLCXMHNXOTUKBT-BWKNWUBXSA-N 422.525 2.935 0 50 HFAA CN(Cc1ccccc1)C(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 253535976 ZWSPLEXQJUFOEM-HXUWFJFHSA-N 404.470 2.884 0 50 HFAA Cc1nnc(SCCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 827758086 IQGXFZZWXOWASP-UHFFFAOYSA-N 408.524 2.746 0 50 HFAA OCCN1CC2(CCN(c3nc(O)c4c(n3)CCCC4)CC2)c2c(F)cc(F)cc21 1772768810 FZQYCOUBRJEYBC-UHFFFAOYSA-N 416.472 2.690 0 50 HFAA O=C(Cn1nnnc1-c1ccccc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 1875340545 HKFQCJUYVOYXQE-NRFANRHFSA-N 412.453 2.836 0 50 HFAA O=C(O)CN(Cc1cccc(Br)c1)C(=O)Cc1ccc2c[nH]nc2c1 2325875798 CBKCVADFXJKMDP-UHFFFAOYSA-N 402.248 2.981 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1 879002 LRSMBQLBEQFTSK-UHFFFAOYSA-N 400.456 2.800 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1C 1051078 IEKUMBKPYAGURF-IBGZPJMESA-N 416.543 2.763 0 50 HFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1214670 WPSNYBJHGINVGW-UHFFFAOYSA-N 417.270 2.836 0 50 HFAA CCOC(=O)c1sc(NC(=S)NCc2cc(C)n(C)n2)c(C(=O)OCC)c1C 2855938 FUUJDHJWRJTRTJ-UHFFFAOYSA-N 424.548 2.938 0 50 HFAA Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 4434708 NUEKZDFFDZIKIO-OAHLLOKOSA-N 404.488 2.868 0 50 HFAA CCOc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 8464240 RFFOFZKBTVPUGU-UHFFFAOYSA-N 415.453 2.741 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cn(C)nc2C)n1CCc1ccccc1 11662053 BJSJWHVDHGKVSY-UHFFFAOYSA-N 415.563 2.593 0 50 HFAA O[C@H](COc1ccc(Cl)cc1CNCCn1cccn1)CN1CCCCCC1 11813862 RTSZFPKHPCVIFM-FQEVSTJZSA-N 406.958 2.942 0 50 HFAA O=C(c1nc2sccn2c1CNCC[C@H]1COc2ccccc2O1)N1CCCC1 11819892 BBDNZSBVLNVRAD-HNNXBMFYSA-N 412.515 2.952 0 50 HFAA O=C(COc1ccccc1)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2 11910667 VLQVRFBTXUWKRC-JXMROGBWSA-N 417.513 2.545 0 50 HFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 12073643 JCPTUVBOKCVQKB-QGZVFWFLSA-N 421.453 2.784 0 50 HFAA Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 12653560 IUAWHBRJFSTJIF-OAHLLOKOSA-N 406.515 2.876 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)CN1CCc1ccccc1 12710208 MDRRELOWNBIWNU-OAQYLSRUSA-N 406.526 2.978 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1)NCc1ccc(F)c(F)c1 14981651 XPTOJWKHZZZGKC-INIZCTEOSA-N 419.476 2.672 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nn1 14993255 HIBHFLKKJFKFSJ-LJQANCHMSA-N 412.538 2.631 0 50 HFAA COc1ccc(-n2nnc(C(=O)Nc3nc(CC(C)=O)ns3)c2C(C)C)cc1 16624559 RQADWOLOOQGPDR-UHFFFAOYSA-N 400.464 2.635 0 50 HFAA O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2cccc(Cl)c2)CC1 22298837 PQHNHESRVGOBCN-WOJBJXKFSA-N 418.921 2.680 0 50 HFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 49543793 ZZQHTMSZVCPXIA-FXAWDEMLSA-N 400.519 2.871 0 50 HFAA biogenic Cc1cc(N2CCC3(CC2)CN(CCCN2CCN(C(C)C)CC2)C(=O)O3)ccn1 77453418 LBRRPRJKTKJSQA-UHFFFAOYSA-N 415.582 2.597 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc(Cl)c1O 104498967 NLGOLFGJZMOAJG-GOSISDBHSA-N 405.926 2.826 0 50 HFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(OC)c2OC)CNC3=O)c1 263615954 GFOFXKPKCWIUGI-FQEVSTJZSA-N 408.458 2.608 0 50 HFAA C[C@H]1CN(c2ccnc(C(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)c2)C[C@@H](C)O1 1353871470 BPSKDUVFMIVSRY-ZENOOKHLSA-N 403.429 2.707 0 50 HFAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)c1 1506405858 OGGILFMQHRRCIL-FQEVSTJZSA-N 406.429 2.926 0 50 HFAA COC(=O)COc1ccc(CN2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857739155 DRCDZTFHEKRSSY-IMSXRSKXSA-N 422.481 2.513 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 1875371828 MVBQGVQZNQAAKM-NVXWUHKLSA-N 407.308 2.774 0 50 HFAA COc1ccc2[nH]c(CNC(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3ccccc3C)cc2c1 1940195128 MQHMBJDEYVNOBW-YADHBBJMSA-N 407.470 2.700 0 50 HFAA O=c1c2ccccc2ncn1CCS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325742293 AHWFVMRDZVDFSV-JCNLHEQBSA-N 417.918 2.916 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc(C)c1O 2356151883 DZBROAAUJFJAMH-DNVFCKCGSA-N 400.519 2.910 0 50 HFAA COc1ccc2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c(=O)oc2c1 1460495 FKXSEILPFAIIHV-UHFFFAOYSA-N 406.438 2.967 0 50 HFAA O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O 4838515 DCVGDTCQGDQKSA-GFCCVEGCSA-N 407.245 2.967 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 6701794 GGQBYNIHXSMNIA-UHFFFAOYSA-N 412.895 2.659 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1C 11697705 NHYHCPZJVGKLLI-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA Cc1cccc(CC(=O)N2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c1 11783159 PKVHQUPPSGRELD-DEOSSOPVSA-N 423.488 2.736 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCCc1ccc(Cl)cc1 14971156 OBGZZRRBYMORTA-SFHVURJKSA-N 421.875 2.668 0 50 HFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 20906906 GVNZYZXYYPWRPG-GOSISDBHSA-N 420.469 2.571 0 50 HFAA CCCn1ncc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C 39364982 HSRIPWMJYDVAQK-OAQYLSRUSA-N 416.566 2.688 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1scnc1-c1ccccc1 55153291 KWKRWLFWOBVLJN-LJQANCHMSA-N 420.538 2.817 0 50 HFAA COC(=O)c1ccc(N2C(=O)C[C@@H](NCc3ccc(OC(F)(F)F)cc3)C2=O)cc1 95482834 ANOKVKLNJXKYDP-MRXNPFEDSA-N 422.359 2.794 0 50 HFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169619766 XAHTVKKXHADIMC-YUMYIRISSA-N 420.509 2.798 0 50 HFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 170638275 NKYGDCHEYRWFFU-OIISXLGYSA-N 406.914 2.909 0 50 HFAA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1Cl 242273629 YEMXTSVNUMEDGD-NDHGSNPTSA-N 414.936 2.558 0 50 HFAA O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H](Cc1ccccc1)n1cnnn1 252536738 JKIPNYWMWVROQS-LJQANCHMSA-N 404.499 2.939 0 50 HFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@]12C(=O)Nc1ccc(C3CCCC3)cc12 811638044 QZGMWTHCIFLZDD-DEOSSOPVSA-N 418.497 2.787 0 50 HFAA CCOc1cc(S(=O)(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)ccc1Cl 952971440 JVXYBJHDSKUOFT-HNNXBMFYSA-N 423.922 2.603 0 50 HFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H]3C(=O)Nc4c(F)cccc43)C2)n1 1291767209 SYKUBIVOZNCCLG-ZBFHGGJFSA-N 410.449 2.832 0 50 HFAA O=C(N[C@@H]1CCCc2c1cnn2CCO)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 1466632769 PLXSLDCWCKTZAE-QAPCUYQASA-N 407.392 2.776 0 50 HFAA Cc1c(CN(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)cnn1C 1506415185 WMTWVWYHGWBPJQ-UHFFFAOYSA-N 403.386 2.551 0 50 HFAA C[C@]1(NC(=O)C2CCC2)CC2(CCN(Cc3cccc4[nH]ccc34)CC2)OC[C@@H]1O 1704310799 SZMQOAMXLQACBX-GMAHTHKFSA-N 411.546 2.959 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)CC2 1704316576 VRIYKYCRKYQSFA-QHCPKHFHSA-N 407.566 2.803 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 1875369596 XMUURZTWZLIQBG-JTSKRJEESA-N 405.539 2.564 0 50 HFAA Cc1nc(CNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)nc2c1CCCC2 1940196312 AWGBVXWUPOPXET-UHFFFAOYSA-N 418.497 2.872 0 50 HFAA CN(Cc1cscn1)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O 2356164875 KFHLTFIKKXYNBM-NPDDRXJXSA-N 407.543 2.646 0 50 HFAA COc1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 824149 QHQXAIFEXJTVOP-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1 4477097 UDFDAAVLLCLNEY-LAUBAEHRSA-N 423.513 2.942 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cccc(Br)c1 4701744 RAUIGOZJNDTSIT-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCc1nc(-c2ccccc2)cs1 12003573 NLEZEYTXCOFRII-IBGZPJMESA-N 412.559 2.602 0 50 HFAA Cc1nnsc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 15066133 LOMWVZMSSKMQCD-UHFFFAOYSA-N 416.503 2.889 0 50 HFAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1 19908646 MYVDCKYDAGPECN-UHFFFAOYSA-N 417.893 2.663 0 50 HFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(CCO)[C@H]1CCS(=O)(=O)C1 20452378 GCHDOSFBQNQGJO-IBGZPJMESA-N 400.500 2.785 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)ncn2)n1 67613608 CLEQSBFZFLNTPW-UHFFFAOYSA-N 404.518 2.951 0 50 HFAA CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2ccc(F)cc2Br)C1 225852228 QPNXKRJKFUWQBH-UHFFFAOYSA-N 418.263 2.692 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239174108 PHFVBFGLQBLXIV-QYVNXHJBSA-N 407.466 2.553 0 50 HFAA CC(C)C[C@@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2n1C 248244970 GPDIKRVGDMRFLV-QGZVFWFLSA-N 408.506 2.777 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(OC)cc1 252346805 DOMWJOMKBNBKDW-USCONSEESA-N 409.530 2.557 0 50 HFAA CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn12 252484443 FWJGTQIZORNHFP-LJQANCHMSA-N 416.485 2.857 0 50 HFAA COc1ccccc1C(=O)N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1 334158442 OILJALUHBKEZIR-MRXNPFEDSA-N 411.483 2.593 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N(C)[C@H](CC)C(N)=O)csc3C2)nc1 426641433 DJWMJEBRYVNHLD-GOSISDBHSA-N 400.548 2.600 0 50 HFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccnc(-n2cncn2)c1 474268869 YBHHQLDTJUJQGC-UHFFFAOYSA-N 416.363 2.756 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)s1 474422327 QPXLXJCMROVDRL-KVWFATIISA-N 420.600 2.789 0 50 HFAA Cc1ccc(S(=O)(=O)N2CC(N[C@H](C)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)C2)cc1 952869607 WNPUNMIYLPBMPE-UCQMYNMFSA-N 404.576 2.677 0 50 HFAA O=C(CN1CCOc2ccccc2C1)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952972479 DBWSJHFJKPMUFY-UHFFFAOYSA-N 407.474 2.702 0 50 HFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cc(-c2ccno2)cs1 952991247 VOWUXBNYEZFBNW-CYBMUJFWSA-N 409.533 2.815 0 50 HFAA O=C(O)c1cn([C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)CC2)nn1 2325870957 WOEQALOLZCBXGJ-HNNXBMFYSA-N 400.460 2.545 0 50 HFAA CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccc(Cl)cc2)C1 866261 PSZLALONARSCAZ-FQEVSTJZSA-N 402.834 2.716 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)CC1 6395705 ZMWPXANMZDQJJE-MSOLQXFVSA-N 406.504 2.713 0 50 HFAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(Cl)cc1 11662074 RQAFJYMSZSRWEV-IBGZPJMESA-N 415.921 2.746 0 50 HFAA CN(C)C(=O)c1ccc(N2CCC(NC[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 11790280 SHUJNSPEYVPLQT-IBGZPJMESA-N 422.577 2.653 0 50 HFAA O=C(c1ccccc1OC1CCN(Cc2ccccn2)CC1)N1CCC(CO)CC1 11874488 HIRWOQMEZLXKTN-UHFFFAOYSA-N 409.530 2.970 0 50 HFAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 11879209 OGEHAQOFMSRTIY-HNNXBMFYSA-N 405.445 2.999 0 50 HFAA CCOC(=O)N1CCC(N2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)CC1 11966162 QYARWSYBBSVGRT-QFIPXVFZSA-N 411.502 2.979 0 50 HFAA CN(Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)Cc1cccs1 12217801 ANVPSSCOBGTTBU-UHFFFAOYSA-N 411.483 2.727 0 50 HFAA CC1=C(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)OCCO1 12471218 YMKHNAIDRPEKBL-HNNXBMFYSA-N 408.445 2.878 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 12573220 ZHLRWXIUIACMCP-CYBMUJFWSA-N 408.442 2.555 0 50 HFAA Cc1c(CC(=O)N[C@H]2CCCCNC2=O)c2c(n1CC(C)C)CC(C)(C)CC2=O 12704335 ANYMYRUDWCHEBM-KRWDZBQOSA-N 401.551 2.935 0 50 HFAA Cc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)no1 14542129 NEPLDRMVULEVGL-QGZVFWFLSA-N 403.454 2.648 0 50 HFAA C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607518 CNKMKGOQHWXCJF-VIFPVBQESA-N 409.334 2.811 0 50 HFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1cccc(Cl)c1 23374103 KFSKZLADBHLFDI-UXHICEINSA-N 415.921 2.605 0 50 HFAA C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 47416239 ZDMUIVGFRUUFQG-QZTJIDSGSA-N 407.580 2.569 0 50 HFAA CN(CCC(N)=O)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 71763650 AJQSLEGRLCDADL-UHFFFAOYSA-N 405.930 2.701 0 50 HFAA CCCCC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3cccnc3)cc2C1 77427820 FPQLHVCGLKNKIL-UHFFFAOYSA-N 401.532 2.977 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 100129032 ZWHRMMUURXOJKE-SFHVURJKSA-N 422.510 2.759 0 50 HFAA Cc1cn2nc(C(=O)N3CCN(c4ccccc4F)CC3)cc2c(N2CCCC2)n1 169768779 YCZXQHORFLJNPX-UHFFFAOYSA-N 408.481 2.739 0 50 HFAA COc1ccc(CN2CC[C@H](N(C)CCc3ccccn3)[C@@H](O)C2)c(Cl)c1OC 212592177 OMUDBPAVWKXLDJ-OALUTQOASA-N 419.953 2.862 0 50 HFAA C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ncc(Cl)cc1Cl 241171019 KDQCOQBSQUMNPU-VCAYMJSRSA-N 418.302 2.713 0 50 HFAA CCn1c(SC[C@@H]2CCC(=O)N2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 241515596 OGKPOEYPKYTANJ-AWEZNQCLSA-N 422.576 2.602 0 50 HFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CNC(=O)NC(C)(C)C)O2)cc1Cl 245230591 VAMPMQGOGIZPGR-KQDGPHEJSA-N 417.893 2.559 0 50 HFAA Cc1nc2ccc(NC(=O)[C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)cn2n1 253417735 HBUOUXYPUIFJOR-PZJWPPBQSA-N 402.458 2.999 0 50 HFAA COc1cc(OC)cc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)c1 253432841 ORIZPDVYMKQRNT-SFHVURJKSA-N 406.232 2.879 0 50 HFAA O=C(NCCCN1CCCC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263615136 ATKJTUDWLGUNAZ-UHFFFAOYSA-N 407.514 2.824 0 50 HFAA CN(C)[C@H](CNC(=O)N1CCC2(CC1)CNC(=O)C2)c1cccc(C(F)(F)F)c1 470291948 VNAXEDLSTNAABA-MRXNPFEDSA-N 412.456 2.620 0 50 HFAA Cc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)ccn1 789023204 SVECEKDZMWDSLY-UHFFFAOYSA-N 405.336 2.785 0 50 HFAA Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1252671186 NYMSAJOTFRLKCK-SFHVURJKSA-N 409.458 2.967 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2c(F)cccc2Cl)cc1OC 1529181333 MGXYMDSPUWOSEM-TZIWHRDSSA-N 423.868 3.000 0 50 HFAA N[C@@H]1CCCO[C@H]1C1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 1775988711 BYXJMBBUFNJFJJ-BEFAXECRSA-N 424.879 2.887 0 50 HFAA CO[C@@H]1CC[C@H](C(=O)N2CCc3nocc3C2)C[C@H]1Nc1ncnc2sccc12 1857686594 CXBHMHGJASSKQD-JCURWCKSSA-N 413.503 2.860 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccccc2OC)C1 1857694113 BEQVBKHNMRHIFE-ZFGGDYGUSA-N 415.578 2.524 0 50 HFAA O=C(CCn1cnnc1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857705914 AIZNPYRBMBXKGX-NRFANRHFSA-N 411.550 2.767 0 50 HFAA CN1CCOC[C@@H]1c1nc(COc2ccc(C(C)(C)C)cc2)nn1-c1ccnn1C 1857719905 XASOXVCBQIPMCN-GOSISDBHSA-N 410.522 2.880 0 50 HFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 2846356 WGGRYYCRIFYASW-UHFFFAOYSA-N 404.488 2.921 0 50 HFAA Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@@H]43)n2)cc1 4594092 TZMMNMNLKAIQRX-CTNGQTDRSA-N 402.502 2.791 0 50 HFAA CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1=O 9426668 SHYZHBRWBUSMEG-INIZCTEOSA-N 423.469 2.906 0 50 HFAA C/C=C(\C)CN1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 12024252 MFXMSMAHIGEVND-COCFBSJVSA-N 412.534 2.686 0 50 HFAA COc1cc(C(=O)NCc2cn3nc(C)sc3n2)ccc1OC1CCN(C)CC1 12207903 YYYDVQLYBDAJHW-UHFFFAOYSA-N 415.519 2.511 0 50 HFAA O=C1CCCN1C[C@@H]1CCCN(c2nc3nonc3nc2NCc2cccs2)C1 14973110 HLSXJRAFYNHZKT-ZDUSSCGKSA-N 413.507 2.525 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1N1CCNC1=O 15064494 DWOPVNRQOUCJPW-XMMPIXPASA-N 407.514 2.982 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(O)c3)C[C@@H]2CCO)cc1 19836542 NWKOWRFSIXISLT-FQEVSTJZSA-N 400.519 2.868 0 50 HFAA O=C(Nc1nc(-c2ccccc2F)n[nH]1)N1CCN(C(=O)c2cccs2)CC1 23310905 KVXYAFOOQOPYTF-UHFFFAOYSA-N 400.439 2.662 0 50 HFAA CCOc1ccc(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1 72437267 UOHRFXYTVITOSK-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA O=C(CCC(=O)N1CCC[C@H]1C(=O)O)NC(Cc1ccccc1)Cc1ccccc1 95918257 DPIKMMXEDSJNGA-NRFANRHFSA-N 408.498 2.812 0 50 HFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)cc1OC 170619985 SMSDXDPOZJXOOG-GOSISDBHSA-N 406.232 2.879 0 50 HFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 238997287 ADDPCWMDRBWVFT-PSJNWGMYSA-N 413.857 2.509 0 50 HFAA COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 248149598 VFSPTJATRPQFKQ-CVDCTZTESA-N 405.454 2.880 0 50 HFAA Cc1ccccc1Cc1nnn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 435142553 WUGYBKGTVJMTPD-IBGZPJMESA-N 419.485 2.707 0 50 HFAA COc1cccc([C@H]2CCN(S(=O)(=O)c3cc(C(=O)O)ccc3C)C2)c1OC 1506418061 NTIRTRJPTPUSAQ-HNNXBMFYSA-N 405.472 2.889 0 50 HFAA Cc1cnnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1C 1857700020 IYQZZDZORHCTLM-HXUWFJFHSA-N 414.481 2.508 0 50 HFAA CC(C)(NC(=O)COc1ccc(-n2cnnn2)cc1)c1nc2cc(Cl)ccc2o1 1875340706 OASNKXDTGDVJDK-UHFFFAOYSA-N 412.837 2.887 0 50 HFAA COCc1ccc(S(=O)(=O)NC(=O)Cc2cccc(Br)c2)c(C)c1 1875350486 PHHBDTVGAYECRI-UHFFFAOYSA-N 412.305 2.952 0 50 HFAA Cc1ccn2c(=O)c(C(=O)N[C@H]3C[C@@H](CNC(=O)OC(C)(C)C)C3(C)C)cnc2c1 1875351880 MJJUIPLLQNXJRT-HOCLYGCPSA-N 414.506 2.672 0 50 HFAA CCOCCn1nc(CC)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2356141601 IUEBSUNDDSYYIX-RTWAWAEBSA-N 414.506 2.689 0 50 HFAA CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 2859496 FULZDUBPXILOLA-UHFFFAOYSA-N 413.293 2.717 0 50 HFAA COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1 2861721 QLJHMUHQQSCXHS-UHFFFAOYSA-N 409.280 2.557 0 50 HFAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 4810663 NKTZNFSZHMWHDK-UHFFFAOYSA-N 413.908 2.513 0 50 HFAA O=C(NCCc1nnc2n1CCN(CCCc1ccccc1)CC2)c1ccc(F)cc1 11814353 VPULVTDKQCTLKI-UHFFFAOYSA-N 421.520 2.881 0 50 HFAA COc1cc(C(=O)N(Cc2nccn2C)C(C)C)ccc1OC1CCN(C)CC1 12437981 LRUQTQVLGHQIOP-UHFFFAOYSA-N 400.523 2.953 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(CO)o1)CC2 14754735 IAGSNLRHPYLMHL-UHFFFAOYSA-N 423.513 2.558 0 50 HFAA COc1ccc(Cn2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)nn2)cc1 19740126 UQYKKDQMWSPQFC-VMPITWQZSA-N 417.513 2.806 0 50 HFAA Nc1ncncc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 170595911 FKENISBXPPUPNU-UHFFFAOYSA-N 409.440 2.884 0 50 HFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 827654469 RCXXLELAHWXCKA-NRFANRHFSA-N 408.502 2.638 0 50 HFAA O=C(Cc1ccn(CC(F)(F)F)n1)NC[C@H](O)c1ccccc1Br 1468988479 YKJFYDFXLUUYJA-ZDUSSCGKSA-N 406.202 2.600 0 50 HFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NC1(C(N)=O)CCCCC1 1704332512 YUGVMVBDWYDRMO-UHFFFAOYSA-N 420.897 2.971 0 50 HFAA O=C(N[C@@H](Cc1nccc(O)n1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1772717287 PETVPSRFBVZTMN-SFHVURJKSA-N 405.410 2.717 0 50 HFAA O=C(C1CCCCCC1)N1CC[C@]2(CN(Cc3nc(C(F)(F)F)no3)CCO2)C1 1857693821 OBZHHGWMTVIXMX-SFHVURJKSA-N 416.444 2.862 0 50 HFAA COC(=O)CCC1CCN(C(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)CC1 1857728923 FRQDVAYTEISUGK-OAHLLOKOSA-N 415.515 2.841 0 50 HFAA CCCc1[nH]c(=NCCn2cc(Br)ccc2=O)sc1C(=O)OCC 1875317342 VRFNORGNXYZDFI-UHFFFAOYSA-N 414.325 2.731 0 50 HFAA CN1CC=CC[C@@H]1CC(=O)NCCNc1nc(-c2ccccn2)nc2sccc12 1875326763 UBNLVBZCDXAOOM-OAHLLOKOSA-N 408.531 2.932 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2Cc2cccc(C)c2)cc1OC 2100548118 UXWJCMVEQWMXBY-YADHBBJMSA-N 422.485 2.889 0 50 HFAA CN(Cc1ccc(S(N)(=O)=O)cc1)C(=O)COc1ccc(Cl)cc1Cl 2325735937 BTFOMOQMYQIKJA-UHFFFAOYSA-N 403.287 2.678 0 50 HFAA CCOC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(C)cc1 4594051 HJFSROJXSJUUPO-HNNXBMFYSA-N 405.501 2.973 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)c(C)c1 4840698 PBPPYKZGIGTZNY-IBGZPJMESA-N 401.532 2.724 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1 11818160 BPBPQZYSRQZZQC-QGZVFWFLSA-N 404.507 2.674 0 50 HFAA CN(C(=O)CCn1cnc2ccccc2c1=O)[C@@H]1CCCN(CCc2ccccc2)C1 12053406 CYEQUSAJYINJTH-OAQYLSRUSA-N 418.541 2.952 0 50 HFAA CC[C@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 12210762 GBFTYYBQUVQCRQ-KBXCAEBGSA-N 415.511 2.792 0 50 HFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 12381267 AJHGSCDCQAMERZ-QGZVFWFLSA-N 415.534 2.819 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2c(C)n[nH]c2C)n1Cc1ccccc1 12433309 YKFVDBUEJKBSHS-UHFFFAOYSA-N 401.536 2.697 0 50 HFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(CCc3ccccc3)nn2)n1 12478439 JUVDPPCUDLSRFR-UHFFFAOYSA-N 404.396 2.611 0 50 HFAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCCc1ccccn1)C2 14538767 OFHAHGQTGFKCAW-OAQYLSRUSA-N 415.541 2.703 0 50 HFAA COCCNC(=O)c1cc(NC(=O)C2CCC2)c2c(c1)nc(-c1ccncc1)n2C 14882488 LOUQZVHEEISNLP-UHFFFAOYSA-N 407.474 2.750 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860855 MZQRYSLSCORILH-KRWDZBQOSA-N 407.923 2.593 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 20998273 XZIKZCNVXBNGNH-QGZVFWFLSA-N 411.550 2.503 0 50 HFAA O=C(c1ccccc1-c1ccccc1)N1CCn2nc(CN3CC[C@H](O)C3)cc2C1 72474033 FELUIKJYDFUGOE-NRFANRHFSA-N 402.498 2.773 0 50 HFAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)c(C)c1 169752507 JLNDQVPFDMSVNM-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CNC(=O)OCc5ccccc5)(O4)[C@@H]3C2=O)cc1 223988992 HROZDXDOCLQLLR-XUJKJYMVSA-N 418.449 2.734 0 50 HFAA Cc1nc(CC(C)C)sc1C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 225429991 WXIHBGVQZVNSCI-UHFFFAOYSA-N 401.598 2.973 0 50 HFAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 247889832 SUTNMNSFISDCJM-GTAWCEEGSA-N 422.506 2.853 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C 437294856 ZGIDSPLSUNRAOY-JKSUJKDBSA-N 408.907 2.885 0 50 HFAA CNC(=O)Cn1cc(Nc2cc(Oc3ccccc3Br)ncn2)cn1 1857530156 HTZTXVVRYHUYKD-UHFFFAOYSA-N 403.240 2.718 0 50 HFAA Cc1cncc(C(=O)N2CCOC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)c1 1857675920 LTTPUJVALOVZQS-QFIPXVFZSA-N 405.498 2.795 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)c(C)c2)C1 1857683692 MANJWYOALYOURR-ZFGGDYGUSA-N 417.569 2.963 0 50 HFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCC(Oc2ccncc2)CC1 2356138342 JUNICIGRNPSVML-UHFFFAOYSA-N 413.543 2.978 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccnc4c3ncn4C)CC1)OCC2 2356147474 XWNHFFNLXMTTCF-UHFFFAOYSA-N 422.485 2.690 0 50 HFAA Cn1c2ccccc2n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc12 1118484 MIBWFUKJNQOBLK-UHFFFAOYSA-N 406.515 2.662 0 50 HFAA Cc1c(N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1232301 CZBRGIQLLRWLSK-CQSZACIVSA-N 409.676 2.678 0 50 HFAA CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 2879420 PQJICYQNIFRAJJ-UHFFFAOYSA-N 404.488 2.887 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC 4763880 LTJQSTNUVQFFAX-UAGQMJEPSA-N 410.536 2.738 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 6139268 DDNSBKLMPOBLSU-UHFFFAOYSA-N 411.483 2.886 0 50 HFAA COc1ccc(CCNC(=S)N2CCN(c3cccc(O)c3)CC2)cc1OC 6398527 LATOZZHUOYBHEX-UHFFFAOYSA-N 401.532 2.649 0 50 HFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11785646 QEIWYDUSKKRRLH-IAGOWNOFSA-N 407.348 2.918 0 50 HFAA Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)c(C)o1 11909061 NXAISJSHKDEFHX-UHFFFAOYSA-N 418.501 2.958 0 50 HFAA CC(=O)NCCC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 12038982 NDTLFMPDGXOLGE-OAHLLOKOSA-N 404.463 2.703 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 13692647 XHYLHBFOKOEIJC-UHFFFAOYSA-N 405.454 2.814 0 50 HFAA CS(=O)(=O)N1CC[C@H](C(=O)N2CCc3ccccc3C2)Oc2ccc(Cl)cc21 38835955 JGQQVUCGVUEDFB-LJQANCHMSA-N 420.918 2.842 0 50 HFAA Cc1ccc2c(c1)[C@@H](CC(=O)N1CCC(n3nccc3NC(=O)C3CC3)CC1)C(=O)N2 101783854 ZVUYVHLJPHJXPO-GOSISDBHSA-N 421.501 2.830 0 50 HFAA Cc1ccc(N2CCCN(C(=O)CNC(=O)N3CCc4ccccc4C3)CC2)cc1 170625149 SYHOCQPZZGKNIG-UHFFFAOYSA-N 406.530 2.802 0 50 HFAA CCOC(=O)C[C@@](C)(NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(C)C 225611015 LNEJCUUQXFAFCO-LJQANCHMSA-N 414.524 2.599 0 50 HFAA C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C 241124391 JHXXUKZCBOOOLP-BDXSIMOUSA-N 417.554 2.986 0 50 HFAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)C1 670456506 MEUATNGNOCQQKC-NRFANRHFSA-N 406.530 2.524 0 50 HFAA CCc1nccn1CCC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 952870122 VMDXLBCHRJUEHR-UHFFFAOYSA-N 409.578 2.644 0 50 HFAA Cc1nc(-c2cc(NC(=O)[C@@H]3CCc4nnc(C)n4C3)cc(C(F)(F)F)c2)n[nH]1 1452038557 BWOUZEALWZTMSB-LLVKDONJSA-N 405.384 2.900 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772701382 LESMTHZQHHVGDO-REWPJTCUSA-N 412.555 2.531 0 50 HFAA COc1cc(-c2nc(Cn3ccnc3-c3cc4n(n3)CCCNC4)c(C)o2)ccc1O 1857729665 GOXSTNGHSKAGSU-UHFFFAOYSA-N 420.473 2.966 0 50 HFAA O=C(NCc1nc(-c2ccco2)n[nH]1)N[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F 1875262599 BHEMKPCNYDZFAS-HNNXBMFYSA-N 423.351 2.939 0 50 HFAA O=C(O)[C@@H]1CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)Cc2ccccc21 1875302965 PLTQCAUYBBDALN-MRXNPFEDSA-N 403.364 2.865 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)C1 1875383542 YJIYSJMGUCPJBO-OWWJJEGGSA-N 402.498 2.635 0 50 HFAA COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNc1ccc(Br)cc1 2325704981 IPYPQERITNXJOK-INIZCTEOSA-N 409.255 2.901 0 50 HFAA CCCCc1oc2ccccc2c1C(=O)N[C@H]1CCN(Cc2cn(C)nc2C(N)=O)C1 2325863022 QSLHWKSRGYNFJQ-INIZCTEOSA-N 423.517 2.612 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cnn4cc(C)cnc34)CC1)OCC2 2356134791 CJLTVZMTPARKSC-UHFFFAOYSA-N 422.485 2.759 0 50 HFAA CCCCNCc1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 2861968 NEMIKDXHYCNAHD-UHFFFAOYSA-N 415.328 2.585 0 50 HFAA CCOc1ccc(CCNC(=O)c2c(C)oc3ncnc(N4CCOCC4)c23)cc1 8596380 HQNQWQQHIFSDOO-UHFFFAOYSA-N 410.474 2.739 0 50 HFAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)NCc1ccc(F)cc1F 11768094 OUQCRQPNHSEOHZ-UHFFFAOYSA-N 401.369 2.916 0 50 HFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 11934058 HVRHSDDKNGOXPS-MRXNPFEDSA-N 407.449 2.666 0 50 HFAA COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NCC4(O)CCCCC4)C3)nc2c1 12036607 ABROXWFFHXDKDV-QGZVFWFLSA-N 412.534 2.975 0 50 HFAA COCCn1c(CN(C)[C@H](C)c2nc(C)cs2)cnc1S(=O)(=O)CC1CC1 12306643 YGGRAXJGIQYMIE-CQSZACIVSA-N 412.581 2.671 0 50 HFAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCC[C@H](CO)C1 12317801 NXBQPOFDKSGWOR-SFHVURJKSA-N 412.559 2.915 0 50 HFAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC(C(=O)OCC)CC1 12330168 UKTPMHQNAXKZPR-UHFFFAOYSA-N 415.490 2.833 0 50 HFAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1=O 14952570 UONKOPXWKBKQEP-GOSISDBHSA-N 416.566 2.660 0 50 HFAA COCCNC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 14966994 PNIDAKLTNLJKQM-UHFFFAOYSA-N 400.460 2.717 0 50 HFAA COc1cccc(CN2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c1 22932764 UQANRKGMGLONLZ-QFIPXVFZSA-N 406.530 2.950 0 50 HFAA COC[C@H]1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1 39436911 MKEAVOQADCWDEU-QGZVFWFLSA-N 404.507 2.726 0 50 HFAA CCN(CC)c1ccc(C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)cc1 169776149 RUROULGMWSKGPL-UHFFFAOYSA-N 405.462 2.864 0 50 HFAA CCN(CCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)CC(F)(F)F 170605848 WDPFAIKJPKRKQD-UHFFFAOYSA-N 400.401 2.678 0 50 HFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)Nc1nc(-c2ccccn2)cs1 222470328 SLOMNJRSBUCFBV-OFQRWUPVSA-N 403.533 2.869 0 50 HFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Br)N1CCCN1[C@H]2c1ccccc1 239135316 LBJOWACEDXYZPE-OKZBNKHCSA-N 412.287 2.985 0 50 HFAA CC(C)C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 252482117 CYRWQBFEQRVRQI-GOSISDBHSA-N 404.474 2.582 0 50 HFAA O=C(N[C@@H](CO)c1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 252484578 FZPKIBXPEHDUOM-KRWDZBQOSA-N 408.907 2.733 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCc1c[nH]c2ccc(F)cc12 334161332 AHBMLSFVCCOQNS-ZIFCJYIRSA-N 404.511 2.692 0 50 HFAA Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@@H](C)c1nncn1C 670439020 BEAZGOXDGDUIDF-JTQLQIEISA-N 415.397 2.837 0 50 HFAA COC[C@H]1CCCN(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)C1 1506396245 DUPHZJCNIHKOHR-FQEVSTJZSA-N 403.548 2.730 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cc1 1704312064 YLFYNXNKAZWEII-OAQYLSRUSA-N 400.548 2.774 0 50 HFAA C[C@H](NC(=O)CN(C)Cc1ccc(S(N)(=O)=O)cc1)c1ccc2ccccc2c1 2325735268 JSJGMIUVJMNRQH-INIZCTEOSA-N 411.527 2.796 0 50 HFAA Cc1nc(C2CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)CC2)no1 2356142435 RWARQHOPIBHDKC-UHFFFAOYSA-N 402.520 2.611 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 2886039 ITUDLYYKLMYQRQ-HNNXBMFYSA-N 404.488 2.883 0 50 HFAA COc1ccc2c(c1)O[C@@H](C)CN(CCNC(=O)CCn1cnc3ccccc31)C2 11790659 NMXSAZISQVNKON-KRWDZBQOSA-N 408.502 2.834 0 50 HFAA O=C(c1nn(CCCc2ccccc2)c2c1CN(CC1CC1)CC2)N1CCC(O)CC1 14743547 PLFIENFFBQQWOO-UHFFFAOYSA-N 422.573 2.881 0 50 HFAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14743914 FVOXRBYWWGPFHJ-UHFFFAOYSA-N 412.534 2.832 0 50 HFAA COc1cc(CN(C)Cc2ccccc2)ccc1OC[C@@H](O)CN1CCC(O)CC1 14975703 KVNNZGZCXUIPIB-QFIPXVFZSA-N 414.546 2.524 0 50 HFAA CN(C)CCSc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1C 14978881 KWEPFZLFBHSTBE-UHFFFAOYSA-N 407.971 2.860 0 50 HFAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(Cc3nccn3C)CC2)no1 20451991 CBOKHAKCEZONEN-UHFFFAOYSA-N 409.490 2.562 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1 72151929 NJWFRQQWOTVIRR-JOCHJYFZSA-N 403.482 2.954 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)cc1C 77522683 OGQOMYVOJQWGSX-FUCAVZNHSA-N 417.509 2.639 0 50 HFAA COCC(=O)Nc1cnn(-c2ccc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)cc2)c1 102347747 QQPPMVPWSJWWLI-MBOZVWFJSA-N 406.486 2.789 0 50 HFAA CCc1noc(-c2ccn3c(CNC(=O)c4cc(Cl)ccc4OC)nnc3c2)n1 169776166 QRKAOSIXGBUIQC-UHFFFAOYSA-N 412.837 2.934 0 50 HFAA CN(CCn1ccnc1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 199302644 BSXWJXMFHZVKJA-UHFFFAOYSA-N 402.502 2.935 0 50 HFAA CC[C@@H]1CN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)C[C@]2(CCOC2)O1 225440882 SJFPNEHLGFPUCH-ASSNKEHSSA-N 404.463 2.604 0 50 HFAA CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)C1 240333635 FENJCFXFABVJRX-INIZCTEOSA-N 418.501 2.600 0 50 HFAA COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2n(C)c1=O 253407073 JMYJIBYHWQWWAM-CQSZACIVSA-N 411.410 2.676 0 50 HFAA biogenic Cn1cnnc1C1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 499851100 RGOBBFLQKISVMS-UHFFFAOYSA-N 406.368 2.904 0 50 HFAA CC(C)c1nccn1CCCNCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 952972153 WKIJFQYKDQVNDN-FQEVSTJZSA-N 414.550 2.860 0 50 HFAA CC1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)c2csc4c2CCCC4)C3)CC1 1857687018 NKCSPGCZPXPVHE-OPAMFIHVSA-N 402.560 2.974 0 50 HFAA Cc1nc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)cs1 1875242427 RTCJMTXATSKTIG-IBGZPJMESA-N 414.575 2.844 0 50 HFAA CCCCn1ncc(NC(=O)c2ccnc(N3C[C@H](CO)OC4(CCC4)C3)c2)c1C 1875361251 VLYRIWCSCZQVMB-GOSISDBHSA-N 413.522 2.759 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 662110 ARRWFVOTWJZOHQ-CQSZACIVSA-N 420.487 2.665 0 50 HFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 12155416 AWHRNDNNPACBJY-HJPURHCSSA-N 416.493 2.696 0 50 HFAA CO[C@@H]1CN(Cc2ccccc2)C(=O)CN(C(=O)c2cc(-c3ccccc3)on2)C1 14530858 KGGQUJJUCDAWFA-LJQANCHMSA-N 405.454 2.841 0 50 HFAA Cc1occc1C(=O)N1CCC([C@@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 14880580 LYTDEBFDQZRVPT-XMMPIXPASA-N 421.497 2.918 0 50 HFAA O=C1CC[C@@](CCC(=O)N2CCN(c3ccccc3)C(=O)C2)(Cc2ccc(F)cc2)N1 14885081 HAKUOBZFXOSKFS-XMMPIXPASA-N 423.488 2.673 0 50 HFAA COc1ccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1OC 19852217 FWMVLZGMEBLKIM-UHFFFAOYSA-N 402.491 2.744 0 50 HFAA CC(C)Nc1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncn1 71638991 YQLFQXATMXVRLJ-GOSISDBHSA-N 400.571 2.600 0 50 HFAA CCCCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82161931 NSZFQCLGKZRXDY-FQEVSTJZSA-N 400.567 2.981 0 50 HFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cc(Cl)ccc4OC)C3)nn2)n1 169778098 NEGOLDKWXUCVNZ-GFCCVEGCSA-N 402.842 2.640 0 50 HFAA CC[C@]1(c2ccc(NC(=O)Cc3ccccc3[S@@](C)=O)cc2)CCC(=O)NC1=O 170610261 FCWYEJIEZZTBTH-KPURRNSFSA-N 412.511 2.690 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239425889 VKYHQOHLAXSXHV-IQZKRHMFSA-N 422.481 2.634 0 50 HFAA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]2C=C[C@H]1O2 247351569 CIVPYIYPPGXZPD-YSFYHYPLSA-N 418.493 2.574 0 50 HFAA Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)c1 248121260 VJHQFTXHQIBTCD-WNRNVDISSA-N 412.486 2.822 0 50 HFAA C[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 253406324 YAYMLDODNYEWLD-OLMNPRSZSA-N 411.468 2.916 0 50 HFAA Cc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263617079 LYZMWGXXQMIFBA-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCN2CCCC2)c1=O 299790529 BHQOCZICQANCAA-UHFFFAOYSA-N 416.566 2.517 0 50 HFAA C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C\c3c[nH]nc3-c3ccccc3)c1=O)=N2 390834935 TVPVBGJMMZVKKU-VGFAJPMMSA-N 414.490 2.850 0 50 HFAA CSc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H](N)Cc3ccccc3)cn2)cc1 408525445 CQTYJJSDPPGRSI-IBGZPJMESA-N 409.515 2.752 0 50 HFAA CC[C@H]1CN(C/C=C/CN2CCN(CC(F)F)[C@H](CC)C2)CCN1CC(F)F 499255022 KRYJJOSYDVSFBH-FBLDJFESSA-N 408.528 2.865 0 50 HFAA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1CN1CCOCC1 952991516 TXOWGRUDDICRSN-UHFFFAOYSA-N 424.480 2.730 0 50 HFAA C[C@H]1CCCN(C(=O)CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 1263136286 ZKLVJCJMMAHLNS-LRDDRELGSA-N 402.322 2.975 0 50 HFAA C[C@H](NC(=O)[C@H](C)n1nnc2cc(Cl)ccc2c1=O)c1ccc2c(c1)OCCO2 1875255861 RXGQYSKBNCYUHH-RYUDHWBXSA-N 414.849 2.655 0 50 HFAA C[C@H](NC(=O)C(=O)N(CCO)[C@@H]1CCc2ccccc21)[C@H]1Oc2ccccc2[C@H]1C 1875259489 ATHFETDPNNNXRX-HRSBRNJNSA-N 408.498 2.564 0 50 HFAA Cn1nc(C(=O)N2CCCCN3CCCC[C@@H]3CC(=O)NCCC2)c2ccccc21 2100533863 JCNYYQLNTBVJHQ-GOSISDBHSA-N 411.550 2.560 0 50 HFAA COCCn1nnnc1S[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O 2325843587 JNLDRFVOPDPVGU-ZDUSSCGKSA-N 402.307 2.914 0 50 HFAA COC(=O)[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc(O)c(Br)c1 2325860310 CCERDBRERSBGQR-INIZCTEOSA-N 418.247 2.984 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C1)CC2 2356157411 JVBZUNNWUZAAJF-HSZRJFAPSA-N 402.502 2.849 0 50 HFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)c(OC)c(OC)c1 936855 IMNIFDRTOJLWSD-AWEZNQCLSA-N 423.267 2.910 0 50 HFAA Cc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C 6917247 DYFRNCBOBPFGDM-UHFFFAOYSA-N 420.517 2.995 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN([C@H](C)Cc2cccnc2)CCO3)CC1 11790742 OHRRJNOXXMAAIH-LJQANCHMSA-N 408.546 2.571 0 50 HFAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCn2cncn2)C3)s1 11839184 LPKVLXZBXUIWMT-HNNXBMFYSA-N 414.462 2.858 0 50 HFAA CCn1nc(C)cc1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 11969641 ACACVRPSIIKERO-HNNXBMFYSA-N 411.437 2.550 0 50 HFAA O=C(NCCc1ccccc1F)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12003440 XLMRKTGQPXYCEO-UHFFFAOYSA-N 410.854 2.518 0 50 HFAA COC(=O)c1ccc(CN2CCN(C(=O)c3cc(F)cc(F)c3)CCC2=O)cc1 12037290 GOVYROJBPUUFCC-UHFFFAOYSA-N 402.397 2.626 0 50 HFAA COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)cc1 13400876 KCPOWYHUQSTULO-RGEXLXHISA-N 400.862 2.978 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)cc1 14959675 YOTIPEUUGSHYEJ-MRXNPFEDSA-N 406.504 2.736 0 50 HFAA Cc1cccc(CN2CCN(C3CCN(CCc4ccccc4)CC3)C[C@@H]2CCO)n1 20541283 XSKQDBHUHWBNDZ-SANMLTNESA-N 422.617 2.966 0 50 HFAA Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(CCc2ccccc2)CC1 35085432 ZPFBYGRJPVUUAO-UHFFFAOYSA-N 402.545 2.549 0 50 HFAA Cn1cnnc1SCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 39430508 HRWAVIKYAIMWLA-HXUWFJFHSA-N 403.527 2.561 0 50 HFAA CCN(CC)CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 55198211 RMIDLTXNYXKOIK-FQEVSTJZSA-N 402.583 2.540 0 50 HFAA O=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCc1ccccn1 67867665 LKSGEWFMHHRMBP-DEOSSOPVSA-N 406.530 2.937 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4cccc(C)c4)CC3)n[nH]c2=O)cc1 169777241 LMFYINYSOUWGNK-UHFFFAOYSA-N 406.486 2.957 0 50 HFAA CCOc1ccc(CC(=O)N2CC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1 169777984 YGMHQEMUMAIDSS-MRXNPFEDSA-N 410.478 2.866 0 50 HFAA Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O 253407148 JOOVBUDCBFQMDE-MYEKKWIISA-N 418.541 2.969 0 50 HFAA biogenic Cc1cc(=NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159227 NRZFJAUNXGCXHZ-APWZRJJASA-N 403.548 2.914 0 50 HFAA CNC(=O)c1ccc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2F)cc1 1475649915 UWTLCOQOYASYHC-UHFFFAOYSA-N 404.385 2.536 0 50 HFAA O=C(Nc1ccc(Cl)cc1)C(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1875289370 MLMUNSWZBOMTER-KRWDZBQOSA-N 406.891 2.667 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 2325819351 BVPFLYQHHKMQCJ-ZBFHGGJFSA-N 406.529 2.780 0 50 HFAA CCCOc1ccc([C@@H](C)NC(=O)C2(n3cc(C(C)(C)O)nn3)CC2)cc1OC 2325860843 XCGONOOQILUTOO-CQSZACIVSA-N 402.495 2.669 0 50 HFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4C4CCCC4)ccc3C2=O)C(=O)N1 2325896149 RZYBZTKLEHTBBN-UXHICEINSA-N 423.513 2.633 0 50 HFAA Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 877187 YWUGAHGPCDMNQL-IBGZPJMESA-N 402.516 2.794 0 50 HFAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1C1CCCCC1)[C@H]1C(=O)N(C2CCCCC2)C(=O)[C@@H]31 2947222 MCOZDZJHNKOQRG-ICDVORIESA-N 410.514 2.670 0 50 HFAA COc1ccc(OC)c(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)c1 11880307 YPGIREGJJDSYOX-SFHVURJKSA-N 423.444 2.962 0 50 HFAA CCC(CC)CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 12002435 DFPRGAFHBJJCKL-UHFFFAOYSA-N 401.530 2.613 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3ccccc23)CC1 12317423 KCOMGKJJAAFYGQ-GOSISDBHSA-N 400.523 2.543 0 50 HFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CCc2cnccn2)CC1 12439600 DXSUMNVBVFPOQE-UHFFFAOYSA-N 411.502 2.832 0 50 HFAA COC(=O)c1cc(CNC(=O)C(C)(C)C)cc(NS(=O)(=O)c2cccs2)c1 12454463 DIVSQFLFRFSDQT-UHFFFAOYSA-N 410.517 2.998 0 50 HFAA O=C(c1cnccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 15079687 PMNQZFITSHMJAO-QHCPKHFHSA-N 420.557 2.977 0 50 HFAA CN(CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)Nc3ccccc3F)CC2)[C@H]1O 19739736 UWYOZJPGUXJPEF-RTWAWAEBSA-N 413.493 2.731 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 38530914 IIZMRJGVRRDJAY-UHFFFAOYSA-N 415.563 2.540 0 50 HFAA CCCCn1c(CN2CCC(C(=O)OC)CC2)cnc1S(=O)(=O)CC1CCC1 55133796 UHGNUGZYOPRRIF-UHFFFAOYSA-N 411.568 2.642 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3scnc3C)C2)CC1 67755612 IBPFHRHXBQTHSN-KRWDZBQOSA-N 400.548 2.887 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)cs2)[C@@H]3C1=O 77470728 VNNPZZWCAZCJOG-VZRKHXGSSA-N 403.548 2.628 0 50 HFAA COc1cccc2c1N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC[C@@H]2C 170597050 RCTKQZANLFFIKB-FUHWJXTLSA-N 420.575 2.967 0 50 HFAA Cc1csc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299798053 QTGOHCCCTMVCBJ-LJQANCHMSA-N 419.522 2.861 0 50 HFAA NC(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)o1 328605459 NUGQTLDRIXHLBB-IVZQSRNASA-N 406.442 2.546 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1CCCN(C(=O)c2ccco2)C1 827848349 KYCQTBVIRMAVSH-AWEZNQCLSA-N 404.850 2.668 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H](Cc2cnc[nH]2)n2cccc2)CC1 952984083 NOHLFNUSUZGUSS-QFIPXVFZSA-N 419.529 2.593 0 50 HFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CCC(=O)N(C)C4)C3)c(O)n2)cc1 1506417907 CKADLWUVQGASTK-QHCPKHFHSA-N 409.486 2.937 0 50 HFAA O=C1NCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1 1506422667 BAGGBVKKJOCQJX-INIZCTEOSA-N 400.834 2.621 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC1)OCC2 1704338600 VPNNSTMUDCBIQU-UHFFFAOYSA-N 421.497 2.929 0 50 HFAA CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(-n2cccc2)cc(C(F)(F)F)c1 1875320403 BYTXQSCOJMIEPD-OAHLLOKOSA-N 415.437 2.650 0 50 HFAA Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3C[C@@H](CO)C[C@@H](CO)C3)c2Cl)cc1 1875342253 HEEYGMPWGMQBJF-ZJFJRDRASA-N 417.937 2.664 0 50 HFAA COc1ccc(-c2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)c(C)o3)ncn2)cc1 1875357163 VONGUOHANWKLRT-UHFFFAOYSA-N 416.459 2.556 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1 1875371893 OYTZXMIUYNLAGC-STQMWFEESA-N 400.401 2.653 0 50 HFAA COC(=O)c1nc(N2CCN(c3ccc(F)c(OC)c3)CC2)c2sccc2n1 2325863676 SJLJTOYUNKETAL-UHFFFAOYSA-N 402.451 2.952 0 50 HFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356137290 IYPLCOGWBNHZOO-LJQANCHMSA-N 411.571 2.686 0 50 HFAA O=C1C=CC(=O)N1c1ccc(-c2cnc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc2)cc1 842484 HNQCAKOKRGVNJL-UHFFFAOYSA-N 422.400 2.669 0 50 HFAA CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3C)C2)c1 1053015 OIFAQHSHEOWCJB-LJQANCHMSA-N 421.544 2.867 0 50 HFAA CCN1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1 2852808 CWDWDSWVGSZNNP-UHFFFAOYSA-N 401.532 2.598 0 50 HFAA COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-n3cnnn3)c2)c(OC)c1OC 11813455 FLUYOLKLGJYOAK-UHFFFAOYSA-N 423.473 2.981 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4ccc(CO)o4)C3)C2=O)c1 11878616 AUDUINFYVBRZLU-QFIPXVFZSA-N 402.466 2.934 0 50 HFAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C3CC3)n2)o1 12278998 DUDAIWODOQPWTO-INIZCTEOSA-N 406.490 2.884 0 50 HFAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(C(C)C)CC1)C2 23354040 KCBFYXNFUMFZBQ-IBGZPJMESA-N 401.599 2.803 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1cnn(C)c1 39404905 PMHCURQDTRLBLY-UHFFFAOYSA-N 416.541 2.879 0 50 HFAA CN(C/C=C/c1ccccc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77452893 MNVJEXCYQVXUJA-HMCXFEIPSA-N 415.493 2.535 0 50 HFAA COc1ccccc1OCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1 169873162 IHODCZASKGZERP-UHFFFAOYSA-N 412.486 2.650 0 50 HFAA CC(C)C[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 252551907 UKTMCBQERGMRPP-QGZVFWFLSA-N 405.458 2.848 0 50 HFAA COC(=O)c1cn(CC(=O)N(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 253413120 TWFHBSZSRVTOLR-UHFFFAOYSA-N 402.410 2.828 0 50 HFAA CCC(=O)N[C@H](C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 475355978 RLCQQXIJGPCZHN-LPHOPBHVSA-N 424.419 2.829 0 50 HFAA CCOC(=O)C1CCC(NC(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)CC1 488538899 DNTMGODFNZDAIO-QRFVXNFXSA-N 402.491 2.635 0 50 HFAA COc1ccccc1-c1noc(CCC(=O)NCc2csc(-c3cnccn3)n2)n1 824834822 MKEIQILIISIUSP-UHFFFAOYSA-N 422.470 2.908 0 50 HFAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1ccc(OCC(=O)N2CCCCC2)cc1 827937726 ZPNLNQYFZXXLEK-UHFFFAOYSA-N 408.458 2.590 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)Cc3ccc(F)cc3)C2)cc1 1506395978 KRDMASOVDGSEJY-SFHVURJKSA-N 404.507 2.894 0 50 HFAA O=C1CCN(c2ccccc2C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C(=O)N1 1506417894 UGKRCYQVPWXWPY-UHFFFAOYSA-N 424.476 2.620 0 50 HFAA COCCN(CCOc1ccccc1F)Cc1ccc(OC)c(OCC(=O)O)c1 1506420670 JHWYXHUQIIFFBR-UHFFFAOYSA-N 407.438 2.825 0 50 HFAA O=C(COc1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1)N1CCOCC1 1772810082 HIJLRTYZPHVMQI-UHFFFAOYSA-N 405.454 2.807 0 50 HFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc(N2CCCC2=O)cc1 1857727226 MZTNTGSEDMTYKJ-BAGYTPMASA-N 405.498 2.758 0 50 HFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857736469 QDGFSAZXBDBXTG-RKQHTQASSA-N 418.493 2.788 0 50 HFAA C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]3c3nc[nH]n3)C[C@H]2C1 2325872573 DRGLQAATYOAUJN-ZPPYPIDRSA-N 411.550 2.690 0 50 HFAA CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccccc3OCC)CC2)CC1 795499 WCXATEZLFFAECI-UHFFFAOYSA-N 403.523 2.598 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 821385 QEFPFKKBQSMVIZ-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA COC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 2172648 AHYPDFXHKZEJDR-MGPUTAFESA-N 423.469 2.683 0 50 HFAA COc1cccc(CNC(=O)c2nc(Cn3nc(C)c(Br)c3C)no2)c1 8584750 QDSICFRGPRDYFS-UHFFFAOYSA-N 420.267 2.632 0 50 HFAA CSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1 9431000 VCYAAYCAHBBRAQ-UHFFFAOYSA-N 410.547 2.738 0 50 HFAA COc1cc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)cc(OC)c1OC 12302307 QPKNGHOKJQJEIE-MRXNPFEDSA-N 402.495 2.592 0 50 HFAA C/C=C(\C)C(=O)N1CCC([C@]2(CCC)NC(=O)N(CC[C@@H]3CCCN3C)C2=O)CC1 14887752 KBZBNLOMBQQCIY-KJMIXQDXSA-N 418.582 2.766 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)ccc1O 27015667 HAOXMWGSLQOXDJ-BXWFABGCSA-N 424.375 2.813 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC[C@@H](C(N)=O)C4)co3)cc2c1 67818450 KNRMIPRTPINOAM-OAHLLOKOSA-N 409.442 2.753 0 50 HFAA O=C(Nc1ccc(I)cc1)[C@H]1[C@H]2C=C[C@@H]([C@H]3C[C@H]32)[C@H]1C(=O)O 169618758 YKMYHUNAHTVSPY-CTTWBBHYSA-N 409.223 2.999 0 50 HFAA CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NCc1nc2ccccc2[nH]1 225685790 NNLMWQIVIZWPCC-UHFFFAOYSA-N 412.471 2.933 0 50 HFAA O=C(Cc1c(F)cccc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 257372180 CRTAWCUOSWDGEJ-XBXGTLAGSA-N 419.888 2.805 0 50 HFAA Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 494965845 BJKDRTRGXOEFRR-UHFFFAOYSA-N 402.414 2.667 0 50 HFAA O=C(NCCOc1cccc2cccnc12)C1CCN(C(=O)c2ccccn2)CC1 827758167 PHAYFSUSLRIESY-UHFFFAOYSA-N 404.470 2.677 0 50 HFAA CN(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)cc1Cl 952985988 VHMBRXAMKXAWMN-LJQANCHMSA-N 400.910 2.735 0 50 HFAA Cc1nccn1-c1ccc(CNC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)cc1F 1221337008 ODJGQSICIFCQNT-HXUWFJFHSA-N 407.449 2.703 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCN(C(=O)c2ccco2)CC1 1506408804 XHGSDFMWLFYUHL-UHFFFAOYSA-N 404.850 2.621 0 50 HFAA CCn1c(C)cc(C)c(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1=O 1704351020 MGVNVCJJLAHBCI-NQIIRXRSSA-N 405.498 2.709 0 50 HFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)Cc1ccc(C)cc1C 1875333978 SKLBSLMVDSMQPT-OFNKIYASSA-N 407.514 2.552 0 50 HFAA O=C(NC[C@]12CCC[C@H]1CN(C(=O)c1cccc3nc[nH]c13)C2)c1ccc(F)cn1 1875338527 AKHLJOUTXACHKW-FPTDNZKUSA-N 407.449 2.769 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccccc1 625082 HSEWQQQHWZHPOY-LVSKKATPSA-N 422.481 2.937 0 50 HFAA COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 877010 MFTBEAZMSMQVRR-UHFFFAOYSA-N 416.543 2.943 0 50 HFAA Cc1ccc(CN(c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)S(C)(=O)=O)cc1 1112407 CTTBJYOIVVBZAE-FQEVSTJZSA-N 402.516 2.870 0 50 HFAA CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)CC1 12244287 IPHXBGBHRSQRGN-NRFANRHFSA-N 421.925 2.612 0 50 HFAA COCc1c(C(=O)NCc2ccccn2)cnn1-c1nccc(-c2ccccc2F)n1 12456394 WYWKUADUGVDFCH-UHFFFAOYSA-N 418.432 2.940 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccncc1)CC2 14749155 JEUBAKCOXDTKMG-UHFFFAOYSA-N 407.518 2.932 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)c1ccco1 20450855 FBDFJFCCQCLYFQ-UHFFFAOYSA-N 405.458 2.648 0 50 HFAA COc1ccccc1OCc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)no1 20995845 OUPVUXGPKHRLCV-HNNXBMFYSA-N 401.463 2.591 0 50 HFAA CS(=O)(=O)N1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 65363719 FIIJBZDNCPYFBB-UHFFFAOYSA-N 420.506 2.693 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(-n2ccnc2)n1 67602119 ITAKWZBFSDFXMO-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 328604269 JECYIJIIHKJQSN-HOTGVXAUSA-N 416.547 2.528 0 50 HFAA C[C@H](CO[C@H]1CCOC1)NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436555024 HXKLZRAZAXWTDV-CZAAIQMYSA-N 412.486 2.564 0 50 HFAA C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 436668015 WGHVXYKLOJZLMQ-MRXNPFEDSA-N 403.486 2.724 0 50 HFAA CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 498331845 HQHVUPGPWWLZFF-MJGOQNOKSA-N 419.481 2.749 0 50 HFAA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 751279384 PYWVTILIBBZBOB-UHFFFAOYSA-N 408.451 2.724 0 50 HFAA C[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)C(=O)Nc1ccccc1 1265082080 RJTOMSUFHRLMMJ-LBPRGKRZSA-N 422.453 2.906 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1CCCN(Cc2cnn3cccnc23)CC1 1772808110 ZIRVWYKQNHLDCT-UHFFFAOYSA-N 402.502 2.878 0 50 HFAA CC[C@@](C)(CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)N1CCOCC1 1875257805 BABLQORGRJXBFF-GMAHTHKFSA-N 420.598 2.877 0 50 HFAA CN(C)C(=O)CCCn1ccc(=NC(=O)Nc2ncc([C@@H]3CCCCO3)s2)[nH]1 1875352947 GWFHWWBGTJFMDU-ZDUSSCGKSA-N 406.512 2.516 0 50 HFAA CCCN(C)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nc(N(C)C)ns1)C[C@@H]2O 2100477112 GMANOUQWONSBDV-BMQTXXJKSA-N 401.580 2.527 0 50 HFAA CC(C)(C)CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 2325794122 REJBYQIJHXXIML-IXFSTUDKSA-N 405.583 2.720 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)N3CSC[C@@H]3C(=O)NC(C)(C)C)ccc21 2325889709 KLGJVXRGQNUNOO-QGZVFWFLSA-N 401.532 2.582 0 50 HFAA COc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 2064374 HSQDQJFYZACMAX-UHFFFAOYSA-N 406.460 2.856 0 50 HFAA O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccnc1 4869119 XPRVQLJSWFYUBF-QHCPKHFHSA-N 402.406 2.818 0 50 HFAA O=C(CCc1nnc(CCc2ccccc2)o1)NCCCn1nnc2ccccc21 12759303 NOCWDAJCZNYHRX-UHFFFAOYSA-N 404.474 2.739 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCc1cccc(F)c1)C2 14747604 OWHKTZIMCUYYCE-GOSISDBHSA-N 416.566 2.921 0 50 HFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 19552415 QTUWRUBJMZQIKW-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA C[C@H](C(=O)Oc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239121216 JNDOJHQDBIVNRE-ZHTNZKAISA-N 416.271 2.796 0 50 HFAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]2CC[C@H]1O2 239235937 XAHTVKKXHADIMC-GXRSIYKFSA-N 420.509 2.798 0 50 HFAA CCN1CCC(N[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(CC(C)C)C2)CC1 299785977 MGRDSJCFBJKPHS-GMAHTHKFSA-N 418.601 2.657 0 50 HFAA O=C1CCc2cc(NS(=O)(=O)C[C@H]3CCCOC3)ccc2N1CC(F)(F)F 795349656 GSHLSVALTAHLGG-LBPRGKRZSA-N 406.426 2.696 0 50 HFAA Cc1cnccc1N1CCCN(C(=O)CCCc2nc(-c3ccncc3)no2)CC1 952979700 YTQLURQOMMLJJO-UHFFFAOYSA-N 406.490 2.897 0 50 HFAA N[C@@H]1C[C@@H](c2nc(-c3cccc(F)c3)nn2-c2ccc3c(c2)OCCO3)CC[C@H]1O 1857737941 KHBJTGCZFDFQIN-BMGDILEWSA-N 410.449 2.800 0 50 HFAA O=C1NC(=O)[C@@]2(CCCCC[C@@H]2NC(=O)c2ccc(OC3CCC3)cc2Cl)N1 1875328795 NDEWYTDPJPWMKT-JXFKEZNVSA-N 405.882 2.912 0 50 HFAA COc1ccc(CCC(=O)N2CCC3(CC2)CN(C)C(=O)O3)cc1Br 2325818468 DHTXLHWTIXCHCW-UHFFFAOYSA-N 411.296 2.834 0 50 HFAA Cc1ncsc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2onc(Br)c2C)C1 2325829982 XHSTWIMCARKCKL-XCBNKYQSSA-N 413.297 2.543 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356140555 MGJKSGYDMPYESC-HOIFWPIMSA-N 404.482 2.735 0 50 HFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)CN1C(=O)c1ccc2c(c1)OCO2 656407 HANYOQWDACJADG-ZIAGYGMSSA-N 410.426 2.519 0 50 HFAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 1160648 ZJAXUMRQVYAVTM-GOSISDBHSA-N 422.934 2.826 0 50 HFAA CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCC(=O)N1CCOCC1 2853380 CRGPVYODRYNHNG-UHFFFAOYSA-N 406.548 2.730 0 50 HFAA O=C(Nc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 3550675 GDKLNIGRDSBFEO-UHFFFAOYSA-N 412.414 2.561 0 50 HFAA CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 6490164 ILTWEKZMISJMBQ-DNDXXGFKSA-N 402.495 2.651 0 50 HFAA CSc1ccc(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)cc1 11661856 VDNUBZJZCHQDDL-FQEVSTJZSA-N 402.560 2.770 0 50 HFAA CCNC(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 11911388 QUFUXZIFVCSNID-QGZVFWFLSA-N 403.523 2.620 0 50 HFAA O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCc1cnn(-c2ccccc2)n1 12036349 LRUXOTXCVPQUBT-HSZRJFAPSA-N 403.486 2.555 0 50 HFAA O=C(CCC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1)c1ccccc1 12072791 FWPNBFKTUZHAKT-GOSISDBHSA-N 424.501 2.685 0 50 HFAA CCOc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1 12411915 KNAIKXWTHXBBIX-UHFFFAOYSA-N 416.437 2.585 0 50 HFAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)c1OC 12432583 IMWZCDSYKVSTTH-QFIPXVFZSA-N 417.469 2.951 0 50 HFAA O=C(NCCn1cccn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12745011 QJFLHGWTNZYMND-LJQANCHMSA-N 416.529 2.862 0 50 HFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OC 19533874 QZBMDEWEHCNCTO-UHFFFAOYSA-N 420.531 2.609 0 50 HFAA CCn1ncc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1C(=O)N(C)C 20602640 VHAFILNIRYAHSO-AWEZNQCLSA-N 407.833 2.529 0 50 HFAA O=C1Nc2ccccc2CC[C@@H]1SCCC(=O)N1CCN(c2ccccn2)CC1 20721671 ZLTIZSOAQCAARN-IBGZPJMESA-N 410.543 2.807 0 50 HFAA CC(=O)Oc1c(I)cc(C=O)cc1I 34924759 PAYXWYPBMCFNGX-UHFFFAOYSA-N 415.952 2.634 0 50 HFAA CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 35804726 CPRQDHUTVJIGMM-UHFFFAOYSA-N 417.531 2.662 0 50 HFAA CCOc1ccc(CC(=O)N2CC[C@@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1 169778186 KTFTUHKLOKEPQQ-MRXNPFEDSA-N 408.462 2.620 0 50 HFAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C 248174244 YGYZTFOHAYDOBI-UECWXEIQSA-N 419.456 2.874 0 50 HFAA O=C(Nc1cc(NC(=O)[C@@H]2CCCOC2)nc(-c2ccccc2)n1)[C@H]1CCCOC1 253426911 JDBKXBCQENLQQN-CALCHBBNSA-N 410.474 2.874 0 50 HFAA O=C1C[C@H](C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)c2ccccc21 299766940 DZYMYEHAQPOIQS-XLIONFOSSA-N 422.481 2.920 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)c1OC 439136115 RGOJXIYBNIDPJC-NLFFAJNJSA-N 420.509 2.892 0 50 HFAA Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 801152016 FQBQRTSTQXSEGW-KRWDZBQOSA-N 422.526 2.584 0 50 HFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1(Cn2cccn2)CC1 952973940 YQNFNPRWYUCEBW-UHFFFAOYSA-N 413.481 2.857 0 50 HFAA O=C1CCCCN1CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301280 SSXBVVAMUYNBLI-XMMPIXPASA-N 404.514 2.963 0 50 HFAA O=C(c1scc2c1OCCO2)N1CCCN(CC[C@@H](O)c2ccccc2)CC1 1772702115 DQJDLALDBZBFSE-QGZVFWFLSA-N 402.516 2.791 0 50 HFAA OC[C@@]12CN(Cc3nccs3)C[C@H]1CN(C1CCN(c3ccc(F)cc3)CC1)C2 1772711087 YQCSZIQVDBMGSY-JTSKRJEESA-N 416.566 2.677 0 50 HFAA COCCOc1cc(O)cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)c1 1857726916 FNLFNXIBZTZEKQ-UYAOXDASSA-N 421.534 2.978 0 50 HFAA CC(C)c1ocnc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857737685 YRBGQKRUTLZBEF-HKUYNNGSSA-N 401.511 2.600 0 50 HFAA CCOC(=O)C1(C)CCN([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 1875256020 RZPHDOLAFAWDJK-AWEZNQCLSA-N 405.495 2.646 0 50 HFAA CN(C(=O)C1CC2(CC(=O)C2)C1)[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC2(CC(=O)C2)C1 2325713837 IUONMQYIGHLSMZ-WOJBJXKFSA-N 414.546 2.733 0 50 HFAA COc1cc(-c2onc(N3CCC[C@@]4(CC3)CNC(=O)O4)c2C(=O)O)ccc1F 2356145245 HUFOPGYIPIYPIJ-LJQANCHMSA-N 405.382 2.656 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1ccnc3ccccc13)C[C@@H]2O 2356148219 MJJZWTCHQDKHBJ-RVFVQDDPSA-N 401.510 2.947 0 50 HFAA COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl 1122114 PLQFQOAFQCVUQU-UHFFFAOYSA-N 410.879 2.956 0 50 HFAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 2876526 CKTOWGWYFSZESY-QGZVFWFLSA-N 424.906 2.815 0 50 HFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 4764057 WBNBQGONUNEUHO-WOJBJXKFSA-N 412.486 2.982 0 50 HFAA CCOC(=O)C1CCN(CN2C(=O)C(=O)c3c2ccc(C)c3Br)CC1 19624824 FCSNLZVXGPRXPV-UHFFFAOYSA-N 409.280 2.519 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2CCN(C(C)C)CC2)n1Cc1ccccc1 19853333 CPFHZIDSVBKEKB-UHFFFAOYSA-N 418.607 2.887 0 50 HFAA COc1c(C)cccc1C(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1 19897332 UHSITZZGKUZINM-UHFFFAOYSA-N 411.502 2.708 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1 72116055 IHODTWQPVLZJLT-UHFFFAOYSA-N 409.943 2.819 0 50 HFAA O=C(NCc1noc(-c2ccccc2F)n1)c1ccc(Cl)c(N2CCNC2=O)c1 225735395 VAWHUVLFGUWDNI-UHFFFAOYSA-N 415.812 2.989 0 50 HFAA Nc1nsc(N2CCN(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)n1 497213671 HDIWUNFPPQUABW-UHFFFAOYSA-N 419.511 2.661 0 50 HFAA CCOC(=O)N1CCC(N2CCN(Cc3ccc(OCC)cc3)[C@H](CCO)C2)CC1 823376622 LVAFKFIFYVSESX-OAQYLSRUSA-N 419.566 2.575 0 50 HFAA Cc1cccc(N(CC(=O)N2CCC(c3nc(C(C)C)no3)CC2)S(C)(=O)=O)c1 1506425905 SMAPIMWUGFTKJU-UHFFFAOYSA-N 420.535 2.674 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(F)ccc(OC)c2F)cc1OC 1529120834 OBPYDKKHFYZMSE-TZIWHRDSSA-N 409.429 2.925 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529195896 PNSQQNYJSZJGDF-NTKDMRAZSA-N 417.509 2.747 0 50 HFAA COCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(Cc2ncc[nH]2)CC1 1857689231 KAOVHDAXMKBIGQ-UHFFFAOYSA-N 418.545 2.827 0 50 HFAA COCCC[C@@]1(CO)CN(C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)CC[C@H]1O 1857732907 MQFXZGWHKFTWCY-XXBNENTESA-N 402.535 2.634 0 50 HFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(OC(=O)c2ccncc2)cc1 683812 DTTKSGONIJRKRX-UHFFFAOYSA-N 400.394 2.649 0 50 HFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 1074150 FSCVDPOZJLMSOL-YLJYHZDGSA-N 406.465 2.622 0 50 HFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NC1Cc3ccccc3C1)CC2 14751072 OJLCHBVFDFMXPC-GOSISDBHSA-N 404.514 2.900 0 50 HFAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC[C@@H](c2nncn2C)C1 14987359 ADLVNKOJMIHGNP-MRXNPFEDSA-N 424.505 2.566 0 50 HFAA O=C([C@@H]1CC12CCN([C@H]1CCSC1)CC2)N1CCN(Cc2cccs2)CC1 15071956 KVTXLFBANVASSE-HKUYNNGSSA-N 405.633 3.000 0 50 HFAA Cc1c[nH]c(CNC(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)n1 15080415 SMNAXMLCXGSDKS-NRFANRHFSA-N 409.578 2.753 0 50 HFAA COc1ccc2c(ccn2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 20716030 GBUPUWTWVKRAMQ-UHFFFAOYSA-N 407.470 2.723 0 50 HFAA Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1N(C)S(C)(=O)=O 65364529 QEBMGFGNCCYWCT-UHFFFAOYSA-N 415.515 2.879 0 50 HFAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1cnccn1 72429761 YTJRYDBDRTUSAA-UHFFFAOYSA-N 414.469 2.964 0 50 HFAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CC2(C)C)CC3)o1 77485045 WPCCWQOQPLONTB-LJQANCHMSA-N 402.516 2.997 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 104366084 RYFBGOFBCRHDAM-GOSISDBHSA-N 404.580 2.677 0 50 HFAA CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 170636958 HNXMRFFSBDYNOJ-ZECBMZRBSA-N 419.566 2.785 0 50 HFAA CC(C)[C@@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 223229727 RINNORGHKPBUPY-OAQYLSRUSA-N 418.501 2.972 0 50 HFAA CO[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 254794610 GTGUHWWGEYLROW-ZJXLCWOCSA-N 418.530 2.710 0 50 HFAA O=C1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C(=O)N1c1ccc2ccccc2c1 740003251 WMLPLKQJWUPDNT-HNNXBMFYSA-N 415.375 2.598 0 50 HFAA CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1nnc(O)c2ccccc12 745883824 MPSVREITDNFSCX-UHFFFAOYSA-N 403.797 2.943 0 50 HFAA Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)N1C[C@@H](C(=O)O)C2(CCOCC2)C1 1775982708 CZNMNUYMMORWKE-INIZCTEOSA-N 402.491 2.933 0 50 HFAA O=C(NCc1cccc(Cn2cncn2)c1)[C@H]1CCCN1c1ncnc2sccc12 1875253244 ZFDYUWZEAIUQET-GOSISDBHSA-N 419.514 2.616 0 50 HFAA CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1 627787 ZMXLSCMIAPHPPN-UHFFFAOYSA-N 400.544 2.930 0 50 HFAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCOCC1 721095 LDBWDMHECQXURZ-UHFFFAOYSA-N 420.347 2.616 0 50 HFAA COCCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 4995308 XUMIQHUOBZPFEL-UHFFFAOYSA-N 410.923 2.996 0 50 HFAA CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 8132586 ZEYVBNCTHCOPTO-UHFFFAOYSA-N 420.325 2.730 0 50 HFAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 9699574 DWRVXJPYBNCFBX-GFCCVEGCSA-N 410.879 2.904 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)cc1OC 11934762 UYAKOVVIFIFASA-LJQANCHMSA-N 417.550 2.623 0 50 HFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(CC(C)C)C2)nn1 12124637 OBIBCWOSCKAAEN-QAPCUYQASA-N 417.535 2.697 0 50 HFAA COCCN(C(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C 12181651 DTKNGKYDCYTCLU-JOCHJYFZSA-N 406.523 2.559 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc(C)cs2)n1C[C@H]1CCCO1 12305203 GHUHEUGLVOMGTP-MRXNPFEDSA-N 412.581 2.643 0 50 HFAA CN(C(=O)c1cccc(N2CCNC2=O)c1)[C@H]1CCCN(CCc2ccccc2)C1 12576843 VWTRQHCBGFIRLU-QFIPXVFZSA-N 406.530 2.995 0 50 HFAA COCCCN(C(=O)c1cn(Cc2ccc(Cl)cc2)nn1)C1CCN(C)CC1 19741090 VVBAPCYEICTXDY-UHFFFAOYSA-N 405.930 2.553 0 50 HFAA COc1ccc(CN2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)c(F)c1 20906532 HDMSPDRLBKQKTH-SFHVURJKSA-N 402.466 2.632 0 50 HFAA CO[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 55281002 VSFYXPSWHSKXGG-FQEVSTJZSA-N 405.564 2.972 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)c(C)c1 67604713 NKKUPQBZUMDAKA-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1c[nH]n2c1nc(=O)c1ccccc12 115718529 RMUKRXTYSMJYER-UHFFFAOYSA-N 424.464 2.780 0 50 HFAA CCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 136136002 FISGPBUWTXPNRF-YOEKFXIASA-N 407.514 2.799 0 50 HFAA biogenic O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)NC1CCCCC1 169758003 TZKFEMXSZCJCRD-GOSISDBHSA-N 403.866 2.666 0 50 HFAA Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 225846626 MBWMPEIQUJKFIA-GOSISDBHSA-N 406.534 2.743 0 50 HFAA C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)[C@@H]1C 229457352 IFIRXTQZNUEPRU-QCFAMHMHSA-N 411.546 2.644 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245285367 WSIURMSQJFOLFO-CTYIDZIISA-N 403.866 2.571 0 50 HFAA Cc1ccc(CC(=O)NC[C@H]2[C@H]3CN(C(=O)c4ccco4)C[C@]34CC[C@H]2O4)cc1C 1857720958 RZNZROSIMRBQQQ-UECWXEIQSA-N 408.498 2.875 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cc(C)cc(C)c3)CC(=O)N2[C@H]1c1ccccc1 1857723510 JBDJINHFCUEKAU-HFMPRLQTSA-N 420.509 2.820 0 50 HFAA O=C(c1cc2c(nc1O)CCCC2)N1CCN([C@H](CO)c2cccc(Cl)c2)CC1 1875262451 DDVDYUOPNFGKSP-HXUWFJFHSA-N 415.921 2.811 0 50 HFAA O=C(c1occc1-c1ccccc1)N1CCN(C(=O)[C@@H]2CC[C@@]3(CCOC3)O2)CC1 2325827429 FTMVDMYXYDWLHN-CVDCTZTESA-N 410.470 2.569 0 50 HFAA O=C(N[C@H](C(=O)N1CCC(CO[C@@H]2CCNC2)CC1)c1ccccc1)c1ccccc1 2325869690 YEFOHDCEXOVMTE-PKTZIBPZSA-N 421.541 2.775 0 50 HFAA O=C(N[C@@H](C(=O)NCCc1ncc(C(=O)O)s1)c1ccccc1)c1ccccc1 2325877777 ZURMWCXSKVGJEY-GOSISDBHSA-N 409.467 2.671 0 50 HFAA CCc1c(-c2ccccc2)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 2331023 CRBRPCBDVSRVCX-UHFFFAOYSA-N 413.481 2.964 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1OC 2818018 MQTPSMJVGRMSMP-UHFFFAOYSA-N 410.536 2.650 0 50 HFAA CCOc1ccccc1N(CC(=O)NCCCOC)S(=O)(=O)c1ccc(C)cc1 2961833 CCSCPUNAJIFMPN-UHFFFAOYSA-N 420.531 2.742 0 50 HFAA CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 11813202 IHIYLARYSIQVOG-SFTDATJTSA-N 402.535 2.894 0 50 HFAA CCc1nc2cc(C(=O)NC[C@H](C)O)cc(NC(=O)c3ccccc3OC)c2n1C 11840866 KDJNZHXDICTDSD-ZDUSSCGKSA-N 410.474 2.507 0 50 HFAA COc1ccc(C2(C(=O)NCc3nnc(SCCN(C)C)n3C)CCCC2)cc1 12278478 QYEYFEDAZPQDIY-UHFFFAOYSA-N 417.579 2.606 0 50 HFAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cn4cnnn4)C3)c2)c1 12572370 NICCRVFYIKCFSW-IBGZPJMESA-N 404.474 2.526 0 50 HFAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)c2cscn2)CC1=O 14747503 BJOFEQVZNZHGPQ-INIZCTEOSA-N 405.495 2.808 0 50 HFAA CC(=O)N1CCN(Cc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1 20029194 AEVYCACURGEEPX-UHFFFAOYSA-N 406.490 2.881 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@H](C)C2=O)c1 55168715 SZYBPBCJPPBLNY-QGZVFWFLSA-N 415.493 2.739 0 50 HFAA O=C(NC[C@@H]1CCCN1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82091864 DWEZXJACRCSKPP-QHCPKHFHSA-N 412.622 2.664 0 50 HFAA Cc1noc(-c2cn(C3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)cc4)CC3)nn2)n1 169778626 PSRMYSSUZBLJDL-GFCCVEGCSA-N 416.869 2.921 0 50 HFAA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 670467115 DFCAIUKMTUVCQL-IBGZPJMESA-N 409.511 2.911 0 50 HFAA Cc1nnnn1Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 823765149 YUUCZLQUYGNGDA-UHFFFAOYSA-N 406.490 2.755 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@H](CNC(C)=O)C2)ccc1F 1704311339 FYDYHEZELSKTSF-AWEZNQCLSA-N 418.469 2.544 0 50 HFAA Cc1nn2c(=O)cc(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)nc2s1 1775974304 WKDMANZWTJEZEQ-MHYXUVESSA-N 411.575 2.854 0 50 HFAA O=C1C[C@H]2[C@H](CCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)N1CCc1cnc[nH]1 1857690557 NFCUZUJUCXDXGS-OALUTQOASA-N 412.921 2.929 0 50 HFAA COc1ccnc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1 1857711419 YROPAEQGIOBLMO-QHCPKHFHSA-N 417.469 2.768 0 50 HFAA O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857730555 RGIYMXPPTATIPE-DOMZBBRYSA-N 408.298 2.898 0 50 HFAA CC(C)(NC(=O)NCc1cccc(-c2nc[nH]n2)c1)c1ncc(Br)cn1 2325823694 ARQHOCMSHUCHCV-UHFFFAOYSA-N 416.283 2.759 0 50 HFAA COC(=O)CCCCC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)C2 2325872390 VPDCTCGVDSSVTI-ZSEKCTLFSA-N 419.428 2.510 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(c4ncc(C)c(=N)[nH]4)C3)[C@@H]3CCCC(=O)N23)c1 2356160213 ITXHQXKYYCUQGI-ZFMNYDKASA-N 421.545 2.655 0 50 HFAA COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc(OC)c1OC 6477798 VADPDSXYKGZBDU-GZTJUZNOSA-N 409.467 2.700 0 50 HFAA C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)[C@H](C(=O)OC)CC(=O)N3CCOC)CC1 12159571 NTHLCTGSDQVSKB-UXHICEINSA-N 404.551 2.792 0 50 HFAA COc1ccc(OCc2cc(C(=O)N3CCN(CC4CC4)CC3)n[nH]2)c(Cl)c1 12316328 VXNPNFRMVYFUTD-UHFFFAOYSA-N 404.898 2.819 0 50 HFAA COCCN1CCC(CN(Cc2ccncc2)Cc2cnc(N(C)C)s2)CC1 12432240 SNLYHJMUZMTYAX-UHFFFAOYSA-N 403.596 2.965 0 50 HFAA COc1cccc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)c1 14534471 SHHDFAWDOHDGLR-QGZVFWFLSA-N 414.575 2.607 0 50 HFAA CN1CCCC[C@H]1C(=O)NCCc1nnc(SCc2cccc(Cl)c2)n1C 14964073 CLCASGKNVONIDN-INIZCTEOSA-N 407.971 2.904 0 50 HFAA COc1ccc(CN2CCCN(C)CC2)c(OC[C@H](O)CN2CCCCCCC2)c1 39405490 IYXXQQVPTXUYLC-JOCHJYFZSA-N 419.610 2.839 0 50 HFAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N(Cc1ccccc1)CC1CC1 55072682 MLSNETVZULCWHV-QFIPXVFZSA-N 409.505 2.955 0 50 HFAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)sc1C 55386377 AQFNJHKKMVXPOK-MRXNPFEDSA-N 424.929 2.559 0 50 HFAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)CN3CC(=O)NC3=O)cc(Cl)cc12 77436923 WTVYKDNRZACLEZ-UHFFFAOYSA-N 410.861 2.965 0 50 HFAA COc1ccc(OC)c(N2C(=O)C[C@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c1 101130282 MEEMMDQFRGTIMD-IAGOWNOFSA-N 400.475 2.600 0 50 HFAA CC(C)[C@@H](NC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 248252234 SSPTYAQMSWUAFM-IEBWSBKVSA-N 405.458 2.891 0 50 HFAA O=C(NC[C@@H]1CCSC1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 252487036 HQXSHFOHDUEQQG-ZDUSSCGKSA-N 401.513 2.731 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 328596349 IISMGOQQHKPGKI-BOSXTWCSSA-N 406.548 2.544 0 50 HFAA CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCCS1)C(=O)[C@H]1CCCS1 408518048 SJHAVQJMVTWJOL-QZTJIDSGSA-N 413.653 2.551 0 50 HFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 1506429451 SMJNJVKUIRKIGW-OAHLLOKOSA-N 406.479 2.713 0 50 HFAA Fc1ccc(-n2cccn2)c(CN2CCO[C@]3(CCN(Cc4ccncc4)C3)C2)c1 1857688535 OOGIUYFZFYSNNP-QHCPKHFHSA-N 407.493 2.883 0 50 HFAA NC(=O)c1cncc(N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)n1 1857704434 RTTSLNPZCPCPDG-IBGZPJMESA-N 409.534 2.652 0 50 HFAA CC(=O)NCCCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857710258 NXDAXRREMZYHKS-FCHUYYIVSA-N 410.470 2.973 0 50 HFAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(C)cccc3F)C2)CCC1=O 2325864187 IMKRUWGEBWWHNH-DLBZAZTESA-N 403.498 2.504 0 50 HFAA Cc1cc(C)n2ncc(CN3CCC[C@@]34CCCN(Cc3ccccn3)C4=O)c2n1 2356163435 CSQBVMVTRCYWKR-HSZRJFAPSA-N 404.518 2.898 0 50 HFAA CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1OC 4680214 PZOAPZUZQXZZSX-SFHVURJKSA-N 408.520 2.857 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1cc(F)cc(C(F)(F)F)c1 11816014 UXAQXCVUIXBIKB-INIZCTEOSA-N 401.404 2.594 0 50 HFAA Cc1cc(CNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)nn1C 12198708 ZVUBVKWPKKWLQB-QHCPKHFHSA-N 408.546 2.890 0 50 HFAA COC[C@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 12207803 BZKWACGTVZNWTB-LJQANCHMSA-N 405.564 2.920 0 50 HFAA CN(CC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 12431098 VSVVDHMAPCAWJT-QGZVFWFLSA-N 407.440 2.712 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)CC1 12457948 WFQCDQJGACXJIZ-UHFFFAOYSA-N 411.817 2.960 0 50 HFAA COc1cccc(CO[C@@H]2CN(Cc3cn(C)nc3C)CC(=O)N(CC(C)C)C2)c1 14541398 AFHINPPKHMOLJA-JOCHJYFZSA-N 414.550 2.623 0 50 HFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2ccncc2)c1=O 14986153 CCFOLOIDIPZZAQ-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA CN(C)CCN(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 19300994 UCUZGALXLYKNKG-LJQANCHMSA-N 407.562 2.869 0 50 HFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1(N2CCOCC2)CCCCC1 23339900 ZEMQRPQQCAOMMH-JOCHJYFZSA-N 411.590 2.770 0 50 HFAA O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 46453830 FUPMKOKDSDESPB-CQSZACIVSA-N 402.607 2.941 0 50 HFAA COc1ccc(Cc2noc(-c3cc(S(N)(=O)=O)cc(C)c3C)n2)cc1OC 170606755 AYULVHDJRBICBI-UHFFFAOYSA-N 403.460 2.609 0 50 HFAA COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(C)c1 170618455 JGDRVRSDMOZYDS-LJQANCHMSA-N 401.488 2.691 0 50 HFAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)N4CCCC4)nn3)CC2)c(OC)c1 244816981 SSFBCMNAJTVLIV-HDICACEKSA-N 413.522 2.805 0 50 HFAA CCN1Cc2nc(OC)c(CNC(=O)c3cc(-c4ccc(C)s4)[nH]n3)cc2C1=O 952962749 FXIDCSZPPVEGLZ-UHFFFAOYSA-N 411.487 2.756 0 50 HFAA CCN(CCn1cccn1)C(=O)c1cc(=O)c2c(OC)c3ccoc3c(OC)c2o1 952977368 ATROCXCGORMSGJ-UHFFFAOYSA-N 411.414 2.915 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccccn1)C[C@@H]1CCCO1 952990962 YOEFCFXADGUYBV-KRWDZBQOSA-N 404.488 2.613 0 50 HFAA CC1(c2cccc(Br)c2)CCN(C(=O)Cc2c(O)ncnc2O)CC1 1446242424 YVYVODMZRRSWDW-UHFFFAOYSA-N 406.280 2.773 0 50 HFAA COc1ccc(CCNC(=O)CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 1506420995 SBKUNHWCQRLEPM-HSZRJFAPSA-N 407.558 2.529 0 50 HFAA Cc1c(C(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)cnn1-c1ccccn1 1772707689 TXAHTSJOSDJTEM-YKSBVNFPSA-N 401.514 2.870 0 50 HFAA CCc1[nH]nc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1C 1857671319 UCHPLVRDXOUXHX-QHCPKHFHSA-N 418.501 2.958 0 50 HFAA Cc1ncsc1CN1CCC2(CC1)OCCc1cc(OCC(=O)N(C)C)ccc12 1857679221 IHHMRZZLXQXPPE-UHFFFAOYSA-N 415.559 2.983 0 50 HFAA COc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)cc1 1875357253 YLJGXOMAHYUVBO-UHFFFAOYSA-N 412.471 2.655 0 50 HFAA CC(C)CN1C(=O)[C@]2(CCN(C(=O)CNC(=O)c3ccccc3)C2)c2ccccc21 2100534532 MTKGRLZOBYWTGQ-DEOSSOPVSA-N 405.498 2.589 0 50 HFAA Cc1cccc2nc(C(=O)N3CCc4nc(CCc5ccccc5)nn4CC3)cn12 2100541275 YRTRRVHGCLCYBC-UHFFFAOYSA-N 400.486 2.718 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc3c(=O)n(C)cnc3c2)CC1 2356161834 LXJOCVPKBKJDPN-UHFFFAOYSA-N 419.481 2.646 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC1)OCC2 2356165940 RINGKNREIQCIDZ-IBGZPJMESA-N 406.482 2.960 0 50 HFAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 915072 PCMYYUMEGWNKLL-IBGZPJMESA-N 407.430 2.723 0 50 HFAA O=C(c1cccc2ccccc12)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1185605 BADIGJXHAHUJHN-UHFFFAOYSA-N 405.479 2.747 0 50 HFAA COCCN1C=C(C(=O)OC)C(c2cccc(OC)c2OC(C)C)C(C(=O)OC)=C1 2868363 XJKRHLKGLBGPKU-UHFFFAOYSA-N 419.474 2.642 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1cccs1 5045474 MMWGRJPPAOVCSO-OBHPCNEJSA-N 414.508 2.761 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1cccs1 8399158 GAPVTQQAOKKFNZ-SCZPIIQISA-N 416.549 2.921 0 50 HFAA C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 12204074 LTJLIYUOONYTSQ-CYBMUJFWSA-N 423.439 2.822 0 50 HFAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cccs2)cc1OC 20602055 CEQSYEXQKCKPKU-UHFFFAOYSA-N 421.544 2.932 0 50 HFAA COC[C@@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)CCNC(=O)c1ccccc1F 55244667 WLQRSQLCRPVPDA-OAHLLOKOSA-N 416.449 2.738 0 50 HFAA O=C1N[C@@](Cc2ccccc2Cl)(C2CCNCC2)C(=O)N1Cc1cncs1 67562140 KVRXOIOFGHDTEL-IBGZPJMESA-N 404.923 2.829 0 50 HFAA Cc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ncn1 67630288 NEKPASNHZNNYKT-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA Cc1nnsc1CNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 95527445 VUKYZOZRHCUOJD-UHFFFAOYSA-N 400.504 2.556 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccsc4)ccn3n2)cc1 169775856 XNGNFNRCXOMXDW-UHFFFAOYSA-N 408.483 2.592 0 50 HFAA C[C@H]1CC(=O)CC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 253416771 XBPFHFNZTZAGLM-GKXUPHCXSA-N 404.463 2.984 0 50 HFAA CC(C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)n1 821483373 OVPDRAVIADOIFH-LBPRGKRZSA-N 407.521 2.841 0 50 HFAA O=C1C[C@H](C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)CN1Cc1ccccn1 952872681 SKWAIGBJMIGUPI-IBGZPJMESA-N 415.497 2.807 0 50 HFAA C[C@@H](Cn1cncn1)C(=O)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 952975913 ZMMAHUSDNPCQQL-LBPRGKRZSA-N 401.820 2.935 0 50 HFAA COc1cc(-c2nc(CNC(=O)c3cccc(N4CCNC4=O)c3)c(C)o2)ccc1O 1857679908 AAXOSJGFCVBIOB-UHFFFAOYSA-N 422.441 2.824 0 50 HFAA O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857700893 AOFIYFNEEZBJGT-KRWDZBQOSA-N 422.510 2.677 0 50 HFAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 893143 MBXZSUIKIJBXJJ-UHFFFAOYSA-N 424.906 2.504 0 50 HFAA COc1ccc(OC)c(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)c1 1121467 MBWYORMIASJLKB-UHFFFAOYSA-N 410.517 2.830 0 50 HFAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 1158276 JYGIRNNTSYDSCV-MRXNPFEDSA-N 404.488 2.795 0 50 HFAA COc1ccc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 4624323 CXBKGMXAJZLKBY-UHFFFAOYSA-N 415.453 2.660 0 50 HFAA O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1cccc(Br)c1 4652691 YFYAMWVXLARDKX-VBKFSLOCSA-N 405.248 2.672 0 50 HFAA CCOc1ccccc1NC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 5151349 AJYZKVADPSWVAR-UHFFFAOYSA-N 405.501 2.920 0 50 HFAA COc1ccc([C@]2(CC(=O)N(C)[C@@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 12098407 VXXBLLMNRJQGSA-QKKBWIMNSA-N 415.515 2.696 0 50 HFAA CN(C(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12302117 YIVAJIZCHWSGAT-SFHVURJKSA-N 402.498 2.627 0 50 HFAA Cc1nc([C@H](C)N(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)c(C)s1 12704670 KPBGCISJTFCRTA-HNNXBMFYSA-N 419.599 2.978 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1 13009183 IRHNUVHSWCXQMP-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA O=C(c1cc(Br)cs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13326348 GIRBVAFYDAPLQL-UHFFFAOYSA-N 415.334 2.657 0 50 HFAA CC[C@H](C)Nc1cc(C(=O)NCC(=O)OC)cc(S(=O)(=O)Nc2ccccc2)c1 14747242 OCCQELGFNKEGJG-AWEZNQCLSA-N 419.503 2.601 0 50 HFAA CCN(CC)CCNC(=O)c1ccc(-c2cc(OC)ccc2OC)nc1N(C)C 15068926 GXPPMCYQOQEFIF-UHFFFAOYSA-N 400.523 2.903 0 50 HFAA COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 19554712 MURJOXCCBPOZLD-KRWDZBQOSA-N 403.276 2.922 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 19867271 MPWRYMWVTBEPLI-UHFFFAOYSA-N 416.440 2.985 0 50 HFAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 40268520 XCNRXOUQFBCWJV-INIZCTEOSA-N 403.446 2.880 0 50 HFAA CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C)CC1 55358100 HVQSKIOOXMKSSX-UHFFFAOYSA-N 420.517 2.814 0 50 HFAA CN(C)c1ncc(Br)cc1C(=O)NCC(=O)N1CCCc2ccccc21 170626408 RJBVONZWFQVPLM-UHFFFAOYSA-N 417.307 2.619 0 50 HFAA COc1ccc(C2=NO[C@@H](CNC(=O)c3nn(-c4ccc(F)cc4C)cc3O)C2)cc1 253392254 QRSAOUKZJVSQPW-QGZVFWFLSA-N 424.432 2.957 0 50 HFAA CCNC(=O)[C@H](C)NC(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 426683916 PVKURNKULNJRNE-AWEZNQCLSA-N 400.548 2.518 0 50 HFAA Cc1ccc2oc(N3CCC(c4nc([C@@H](C)O)nn4-c4ccccn4)CC3)nc2n1 1857679176 YPKPEKIVZGPSQR-CQSZACIVSA-N 405.462 2.944 0 50 HFAA Cc1nnc(N2C[C@H](C(=O)NC3(CN4CCCCC4)CCCCC3)CC2=O)s1 1857706480 UZDWMUXMORHPPP-MRXNPFEDSA-N 405.568 2.504 0 50 HFAA Cc1ccc2nc(N3C[C@H](C(=O)NCCn4cc(Cl)cn4)CC3=O)sc2c1 1857712266 NRBRVIBWDRLQFH-GFCCVEGCSA-N 403.895 2.624 0 50 HFAA CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N(C)C 1875255064 XGKFZQMEXMDXHF-RTBURBONSA-N 405.539 2.947 0 50 HFAA O=C(Cn1nnnc1-c1ccccc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 1875340546 HKFQCJUYVOYXQE-OAQYLSRUSA-N 412.453 2.836 0 50 HFAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 1875371724 KHRXZWGFUMDXNP-GOSISDBHSA-N 405.433 2.954 0 50 HFAA Cc1cc(O)nc(C)c1C(=O)NC1CCC(NC(=O)c2c(C)cc(O)nc2C)CC1 2325703009 LIRGNOMTFSOMMI-UHFFFAOYSA-N 412.490 2.592 0 50 HFAA COc1cccc(CCC(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356168013 MASCPIGHLGDKDR-SKPFHBQLSA-N 414.546 2.915 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 682741 SASHTONFJSWURO-LVSKKATPSA-N 422.481 2.937 0 50 HFAA COC(=O)c1c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)sc2c1CCC2 1119396 BSRGXMQGZMFNLU-UHFFFAOYSA-N 419.528 2.771 0 50 HFAA O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1530877 PBMSWVPMRUJMPE-UHFFFAOYSA-N 403.441 2.894 0 50 HFAA biogenic,in-man Cc1c(N2C(=O)[C@@H](C)S[C@@]23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C 4143898 XIUVWBJVLGVTJB-PEBXRYMYSA-N 420.494 2.758 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 11813113 VIABDZDWNHTFLW-QHCPKHFHSA-N 416.525 2.892 0 50 HFAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nnnc1CN1CCCC1 11873504 TXYFIXOXJHNBKU-JOCHJYFZSA-N 407.522 2.532 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@H]3COC)cc2)CC1 12585966 TXBIMXKHMRQFSQ-IBGZPJMESA-N 418.534 2.734 0 50 HFAA CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2Cc2ccc(Cl)cc2)C1 13322733 SNNAVZVSIYFHRH-ZDUSSCGKSA-N 400.957 2.798 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3nccs3)CC2)C1=O 14743503 GXRDHBMAOWNXJL-UHFFFAOYSA-N 414.531 2.589 0 50 HFAA CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 14994116 SUCLOGNPJYVFGL-CALCHBBNSA-N 411.502 2.609 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)cc1 19744832 MIIFBBWZSATLIT-FQEVSTJZSA-N 413.566 2.749 0 50 HFAA C[C@@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CCN1C 19800109 GMDCUALCYBGIET-QGZVFWFLSA-N 408.612 2.783 0 50 HFAA O=S(=O)(Cc1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19848933 HYNLIWOHJBVMEF-UHFFFAOYSA-N 408.907 2.716 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)c4ccnnc4)CC3)cc2)n1 95527609 XYPONRAUEFRDFU-UHFFFAOYSA-N 404.474 2.770 0 50 HFAA CCCn1c(C)c(CC(=O)NCCc2nnc(N)s2)c2c1CC(C)(C)CC2=O 95528724 QEKIIFIPBLDTHE-UHFFFAOYSA-N 403.552 2.697 0 50 HFAA COc1ccc([C@@H]2CC(c3cccc(OC)c3OC)=NN2S(C)(=O)=O)c(OC)c1 170614233 CHCUOMHWVIORQI-KRWDZBQOSA-N 420.487 2.832 0 50 HFAA CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 206234317 LIXIBEIPXUUCRL-UYAOXDASSA-N 419.485 2.907 0 50 HFAA CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(OC)c(OC)c(C)c2OC)c1 225447784 NSUWJNPCCKKEQG-UHFFFAOYSA-N 422.503 2.880 0 50 HFAA CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 252444077 AZWLCMVBBRGGCW-RKVPGOIHSA-N 424.567 2.660 0 50 HFAA Cc1nnn(-c2ccc(NC(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)cc2)n1 252480247 BYZMKSIKXGLNRI-OAHLLOKOSA-N 424.515 2.877 0 50 HFAA CN(C)[C@H](C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cncn1C 328592172 HKKZABGALXRFEI-NRFANRHFSA-N 404.474 2.888 0 50 HFAA O=C(O)[C@@H]1CC(=O)N([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 328594459 LMGJWVOXVOWSTD-CVEARBPZSA-N 420.465 2.943 0 50 HFAA CCOc1cc(NC2CCN(C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)ncn1 466843814 UKOQTYCCCCLFOJ-UHFFFAOYSA-N 409.490 2.822 0 50 HFAA Cn1c(CCN2CCC(C(=O)NCCCN3CCCCC3)CC2)nc2ccccc21 487785447 ALXACGFRXFCWNT-UHFFFAOYSA-N 411.594 2.820 0 50 HFAA O=C([C@H]1CCc2nncn2C1)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952894566 RTNKAGJBOQXZTB-KRWDZBQOSA-N 406.465 2.843 0 50 HFAA COc1cccc(CN2C[C@@H]3CN(C(=O)c4c(C)nn5ncccc45)CC[C@@H]32)c1F 1800416028 LEONPMQIJWHENO-IRXDYDNUSA-N 409.465 2.532 0 50 HFAA Cc1cnnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1C 1857700019 IYQZZDZORHCTLM-FQEVSTJZSA-N 414.481 2.508 0 50 HFAA CCOC(=O)[C@H](NC(=O)C[C@@H]1CCCc2cc(OC)ccc21)[C@H](O)c1cccnc1 1875405954 SOXCXVXSWHGKHV-KNXBSLHKSA-N 412.486 2.682 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(F)c1 2325819811 QQUWCHBPUDCCJP-GOEBONIOSA-N 404.463 2.549 0 50 HFAA CCOc1cccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356163716 OJMKMVMHVGLOCA-YDHSSHFGSA-N 400.519 2.986 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1Cl 1063954 RZQBUHPWVVBOBQ-UHFFFAOYSA-N 400.928 2.951 0 50 HFAA O=C1c2ccccc2C(=O)N1c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 2462476 PTQOTCJRMLKDIA-INIZCTEOSA-N 414.421 2.672 0 50 HFAA CC(=O)NCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2555081 CSMYOORPUGPKAP-LJQANCHMSA-N 414.483 2.805 0 50 HFAA biogenic,in-vitro CC(=O)Oc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 2836395 LFXSEFDFDNLVSD-KRWDZBQOSA-N 408.410 2.639 0 50 HFAA Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4ccccc4)cn23)n(C)c1=O 5144539 BMTGPHWHMNFXMH-UHFFFAOYSA-N 405.845 2.996 0 50 HFAA CCN(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccccc1 6937229 YBCBTKDCLXSOCH-UHFFFAOYSA-N 417.513 2.906 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 12437549 GBFZFUHGTVCVGS-QHCPKHFHSA-N 418.585 2.800 0 50 HFAA COc1ccc(NC(=O)CCC2CCN(C(=O)Cn3cccn3)CC2)c(OC)c1 12439471 NZXZFZYBZBSSJG-UHFFFAOYSA-N 400.479 2.558 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3cnc(SC)nc3)C2)c1 12709086 SCYCVVXZCORNKV-OAHLLOKOSA-N 416.547 2.858 0 50 HFAA CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 13473311 RYENLSMHLCNXJT-CYXFISRXSA-N 414.502 2.793 0 50 HFAA biogenic,in-vitro CCCS(=O)(=O)c1ncc(CN(C)Cc2ncccc2C)n1C[C@H]1CCCO1 55343367 HBMBCZVXBFPINC-GOSISDBHSA-N 406.552 2.581 0 50 HFAA O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 64158218 GZIYLRRKYZADRG-MSOLQXFVSA-N 422.455 2.910 0 50 HFAA O=C([C@H]1CCCN(C2CCN(c3nccc4ccccc34)CC2)C1)N1CCOCC1 82109564 PRBKFJXZIPTIEF-FQEVSTJZSA-N 408.546 2.774 0 50 HFAA COCCN1CCC(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 91964923 OEZYDPKOFAQFGF-HSZRJFAPSA-N 402.535 2.945 0 50 HFAA COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1 137152330 QAONMRVTLPIMFN-GLHSZLCASA-N 424.884 2.951 0 50 HFAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1ccccc1)c1nccn1C 218498365 RSCFZXWHPJDZQA-TZIWHRDSSA-N 420.513 2.897 0 50 HFAA CC(C)c1nccn1CCCNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 670472584 KVFADRVIHMALMU-UHFFFAOYSA-N 404.536 2.892 0 50 HFAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)c3cc(C)nc(C)n3)CC1)CC2 824616719 JTXZEKFVZFTRNR-UHFFFAOYSA-N 410.518 2.774 0 50 HFAA Cc1ccccc1N1CCCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1506408948 FIPXWPBAJOWZMD-UHFFFAOYSA-N 407.514 2.820 0 50 HFAA CC(C)Oc1ccc2cc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c(=O)oc2c1 1704280048 MEFCAFVROSJCFW-XLIONFOSSA-N 408.454 2.963 0 50 HFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc2c(c1)OCCCO2 1857676933 ZQCLXGVNPRAQRP-BOUXLOLZSA-N 409.504 2.733 0 50 HFAA O=C1C[C@H]2CN(C(=O)CCn3cnc(-c4ccccc4)c3-c3ccccc3)C[C@H]2N1 1857677384 ZJGXHPAVBCRQKX-VQTJNVASSA-N 400.482 2.954 0 50 HFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1csc(-c2ncccn2)n1 1857726763 BDIDFVHIGYQRHX-SOLBZPMBSA-N 407.499 2.544 0 50 HFAA Cc1cc(C)n2nc(CC(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc2n1 2325717502 LZTDFPOKRJANNM-RRQGHBQHSA-N 402.495 2.831 0 50 HFAA CN1C(=O)NC2(CCC(Nc3ncnc4c(F)c(Br)ccc34)CC2)C1=O 2325825470 QWIUHRJNNHYARW-UHFFFAOYSA-N 422.258 2.806 0 50 HFAA CN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1c2cccc(O)c2C[C@@H]1C(=O)O 2325898532 JGVGHKRQYCXAOO-HKUYNNGSSA-N 409.442 2.746 0 50 HFAA CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 664486 KGOQDOQGBVCCHP-UHFFFAOYSA-N 401.257 2.847 0 50 HFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 842692 FMFBOXILYKVMTR-MRXNPFEDSA-N 400.818 2.749 0 50 HFAA CS(=O)(=O)Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O 2822850 XJVUASTZTRQLAC-DHZHZOJOSA-N 412.217 2.725 0 50 HFAA COC(=O)c1ccsc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 2861626 GAMMNVIHTGXGJT-UHFFFAOYSA-N 402.453 2.835 0 50 HFAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC2)cc1Cl 2875367 JGLTZSLTTLWDEG-UHFFFAOYSA-N 422.934 2.861 0 50 HFAA O=C(NCCCN1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 10279647 BUOMQUCLRNBFKU-UHFFFAOYSA-N 413.971 2.730 0 50 HFAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2)CC3)c1 12024408 IDHFFFPCBYUNQH-KRWDZBQOSA-N 405.502 2.836 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@H]1CCOC1 12054416 KLQRJDYMXKFKHJ-INIZCTEOSA-N 421.501 2.746 0 50 HFAA Cc1c([C@H](C)NC(=O)c2ccc(N3CCN(C)CC3)cc2)cnn1-c1ccccn1 12301231 HPMRQIYTCVQGRF-KRWDZBQOSA-N 404.518 2.819 0 50 HFAA CN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2cccnc2)CC1 12315727 KBSZRPFPYQDSHU-UHFFFAOYSA-N 401.532 2.921 0 50 HFAA CN(Cc1ccsc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 12432727 HWKAAEPHPRISLD-GOSISDBHSA-N 409.577 2.939 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc(C)[nH]c1=O 14972774 NBOSSXGWRMPXAZ-LJQANCHMSA-N 423.557 2.651 0 50 HFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccnc(-n4cnnn4)c3)C2)cc1 15071710 OYWWYMPTUQFCNH-NRFANRHFSA-N 419.533 2.650 0 50 HFAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)n1 40268279 OKYHMMAKBQAKQC-UHFFFAOYSA-N 424.892 2.539 0 50 HFAA O=C(NCCc1cccnc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82099629 GUDKWFVPXYOQEX-QFIPXVFZSA-N 407.562 2.512 0 50 HFAA C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 143911816 OHUHVTCQTUDPIJ-JYCIKRDWSA-N 412.519 2.911 0 50 HFAA in-vitro Cc1nc(CO[C@H]2CCN(C(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)C2)cs1 170599080 PQZGAWXUKIOWTN-PZJWPPBQSA-N 415.559 2.953 0 50 HFAA O=C1c2cccc(N3CCN(Cc4ccsc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 200501464 KMAFBUGNBKURAZ-KRWDZBQOSA-N 411.527 2.845 0 50 HFAA C[C@@H](OC(=O)c1ccc(CSc2nccn2C)o1)C(=O)NCCc1ccncc1 225857905 SUVAFYHYPSJUJD-CQSZACIVSA-N 414.487 2.605 0 50 HFAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c1C 230202810 YGYZTFOHAYDOBI-VKDGWMQASA-N 419.456 2.874 0 50 HFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC[C@H]3c3ncon3)cc2C[C@@H]1C 252512732 VDMBKHSFTWDGCN-UGSOOPFHSA-N 404.492 2.673 0 50 HFAA COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 299764411 SMIZHVLYILUQFW-NTKDMRAZSA-N 424.497 2.623 0 50 HFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cc(N2CCNC2=O)ccc1F 682802977 NMRSGPBUCGOZQG-AWEZNQCLSA-N 400.429 2.845 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cc(CC)ncn2)CC1 1506396819 JSYUXGPCRSMZGF-UHFFFAOYSA-N 424.954 2.910 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCSc1ccc2c(c1)OCCO2 1704335359 FNMSFRQEASZTGR-UHFFFAOYSA-N 404.536 2.562 0 50 HFAA COCCn1nc([C@@H]2CCOC2)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857679519 XQCHSNXBSCLOBB-MRXNPFEDSA-N 412.494 2.657 0 50 HFAA CN(C)S(=O)(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857707098 ZLBURTYEQHJVSF-FQEVSTJZSA-N 409.596 2.755 0 50 HFAA O=S(=O)(CCn1ccnc1-c1ccccc1OC1CCCC1)N1CCOCC1 1857734687 MUUQZEQNGOCITO-UHFFFAOYSA-N 405.520 2.534 0 50 HFAA Cc1ccn2cc(CNC(=O)[C@H]3OCC(=O)N(C(C)C)[C@@H]3c3ccccc3)nc2c1 1940195329 MAPZBXNRKJIIQK-YADHBBJMSA-N 406.486 2.636 0 50 HFAA Cn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccco1 7459286 JBBRGVYSTHNXHB-UHFFFAOYSA-N 401.467 2.655 0 50 HFAA O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)c1ccc2c(c1)OCCO2 8649088 QNSTXYBSFMVVNI-UHFFFAOYSA-N 420.450 2.855 0 50 HFAA CCOC(=O)CCNC(=O)N(C)C[C@H]1CCCN(CCc2ccc(OC)cc2)C1 12111973 QJGAPZKYIHUYAY-LJQANCHMSA-N 405.539 2.544 0 50 HFAA COc1ccc(CNCCn2ccnc2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12317209 TUUZZQNHQLOXQX-QFIPXVFZSA-N 424.545 2.553 0 50 HFAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCC(Sc3ccccc3C)CC2)nn1 12438737 USRJYTWACCSWLH-UHFFFAOYSA-N 415.563 2.852 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCc2ccccc2)CC1 12702917 SHYYFRYVYATJHI-UHFFFAOYSA-N 416.543 2.852 0 50 HFAA Cc1nonc1CN(C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 12744727 DBEXKXYEYMBJEC-UHFFFAOYSA-N 409.368 2.962 0 50 HFAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 13144988 FSCVDPOZJLMSOL-FXAWDEMLSA-N 406.465 2.622 0 50 HFAA COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccncc2)C1 14538078 WCPBNSNUKMUFRM-FYYLOGMGSA-N 422.573 2.941 0 50 HFAA Cc1cccc2nc(CNC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)cn12 15001112 UBNKYWIKHCMVMS-UHFFFAOYSA-N 423.517 2.701 0 50 HFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc(F)cc2)c1=O 15069812 YFIYVXIPDFWSJP-UHFFFAOYSA-N 421.472 2.910 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCCCC1=O 15077250 QPRAECNJNMVHRZ-FQEVSTJZSA-N 403.542 2.941 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 19556273 JQENMSXIAJLCTB-HXUWFJFHSA-N 413.905 2.798 0 50 HFAA Cc1nn2c(ncc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(F)cc1 40397034 WPNUDWKRFYTQMM-UHFFFAOYSA-N 414.400 2.938 0 50 HFAA COc1ccc(N2C(=O)[C@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)N=C2O)cc1 252498851 RNNGXYFCEBQIFD-KRWDZBQOSA-N 416.522 2.530 0 50 HFAA CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)n2)cc1 468606413 GGXFZFWSSYBWIU-AWEZNQCLSA-N 410.396 2.594 0 50 HFAA O=C(NCC1CCN(C(=O)c2ccc3nn[nH]c3c2)CC1)c1ccc2c(c1)CCC2 828166614 LKOZOOCTRCTXDH-UHFFFAOYSA-N 403.486 2.729 0 50 HFAA CC[C@]1(C(=O)N2CCC(CO)CC2)C[C@H]2CC[C@@H]1N2C(=O)c1ccc2nc[nH]c2c1 1704330824 GUTRCYRSBICVMS-MONBJTKQSA-N 410.518 2.567 0 50 HFAA Cc1nc(O)c(C(=O)NCc2ccnc(-n3cccn3)c2)cc1-c1ccc(O)cc1 1875258602 XSJDYRHXRADSGA-UHFFFAOYSA-N 401.426 2.979 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 754314 QZXRXRKQOZGCME-UHFFFAOYSA-N 403.460 2.876 0 50 HFAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCn2cncn2)C3)s1 11839185 LPKVLXZBXUIWMT-OAHLLOKOSA-N 414.462 2.858 0 50 HFAA COc1cc(C(=O)NCCc2nnc(SCC(C)C)n2C)cc(OC)c1OC 11869411 KMVWQFOKHBADPI-UHFFFAOYSA-N 408.524 2.562 0 50 HFAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)N1 11969249 CSXDKNJMBZKDGO-DEOSSOPVSA-N 423.488 2.794 0 50 HFAA O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CCCc1ccccc1 12093155 BHEMJMCMNVSKTQ-QFIPXVFZSA-N 408.546 2.993 0 50 HFAA CN(Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12)C[C@@H]1COc2ccccc2O1 23129268 CVPAIEKJJCQHHG-OAHLLOKOSA-N 414.893 2.961 0 50 HFAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OCc1cccnc1)c1ccon1 72164270 BOFHCORUQZAOEN-RTWAWAEBSA-N 404.470 2.761 0 50 HFAA COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@H](O)CN1CCCCC1 95496970 MVOCCBUZTHPTOI-LJQANCHMSA-N 403.523 2.849 0 50 HFAA O=C(O)CC[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 170620097 DSTVMMVIIDVYFB-JOCHJYFZSA-N 402.410 2.630 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC(=O)N2C)cc1 253396322 BABDFVCADQDSRG-BWKHYTDRSA-N 413.562 2.938 0 50 HFAA biogenic Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)[C@@H]1CCN(C)C1)C2 299784949 IXEYRMCJLNDPES-FUTAKVPZSA-N 424.570 2.618 0 50 HFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 328606188 QRVIAAQHZZHZLI-INIZCTEOSA-N 417.517 2.836 0 50 HFAA O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ncoc1-c1ccc2c(c1)OCCO2 409690850 VEXDDODQBINCMS-HNNXBMFYSA-N 411.458 2.776 0 50 HFAA O=C(NCc1cccc(OCC(F)F)c1)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 494896707 WMCFNIFTELJWSO-AQHYVHGCSA-N 404.457 2.639 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1scc2c1CCCC2 670471134 QXDBLTYGCVODLP-NBTXJNEHSA-N 407.583 2.924 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](OC)(C(F)(F)F)C2)(c2ccccc2)CC1 1303069156 DORNWWNFSZWWBE-FQEVSTJZSA-N 410.436 2.913 0 50 HFAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC(c2cc[nH]n2)CC1 1704311949 GQXIRHABTBCDCV-UHFFFAOYSA-N 407.474 2.921 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCCN(C(=O)c2cccc3nccnc23)CC1 1772709215 ISXFLCCGKWCREG-QGZVFWFLSA-N 404.470 2.772 0 50 HFAA CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 2706946 DRAXLEMSSCTXGB-LLVKDONJSA-N 415.705 2.713 0 50 HFAA CCCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 3624504 OQQITEAAWXLNRZ-IBGZPJMESA-N 420.487 2.928 0 50 HFAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 4838227 CTDUASWMZFYBRO-GOSISDBHSA-N 422.934 2.978 0 50 HFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(N3CCOCC3)c(Cl)c1)C(=O)CO2 10009405 GOXKOQHFNIQREX-UHFFFAOYSA-N 415.877 2.849 0 50 HFAA CCn1ccnc1CN1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 11819988 TZSNIENNUAIYPV-UHFFFAOYSA-N 413.566 2.580 0 50 HFAA COC[C@H]1CCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)C1 12445703 RZWRGWVAZOLEIQ-IBGZPJMESA-N 405.564 2.981 0 50 HFAA CC1=C(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)OCCO1 12718654 ALYALMWCTGMGEA-UHFFFAOYSA-N 414.437 2.716 0 50 HFAA O=C(Cn1cnc2ccccc21)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55089161 ZLSNOHPQPKMFCL-IBGZPJMESA-N 421.520 2.989 0 50 HFAA C[C@H]1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82138456 IHBAGSDSMDGQAK-NRFANRHFSA-N 412.622 2.616 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2c(C)noc2C)c1 95500006 HRLVRIXLLWSABQ-UHFFFAOYSA-N 401.463 2.620 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4cccc(C)c4)CC3)n[nH]c2=O)cc1 169770613 NALNDLPGUAXGAV-UHFFFAOYSA-N 420.513 2.885 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4c(F)cccc4F)ccn3n2)cc1 169775839 CZJWMLPNCZWAGW-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA Cc1ccc(-n2c(C3CCN(C(=O)c4cccc(N(C)C)c4)CC3)n[nH]c2=O)cc1 169780731 RXMFMTRCBYUVRD-UHFFFAOYSA-N 405.502 2.955 0 50 HFAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCN(C(=O)C2CC2)C1 225446929 XJGKFGBBUBQQJU-QMHWCDLVSA-N 402.510 2.664 0 50 HFAA C[C@H]1CN(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 241586405 OVSWOSZUUNCXRY-LRDDRELGSA-N 400.306 2.644 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)CC[C@@H]2N=C(O)N(c3ccccc3)C2=O)c1 252508128 XDOSGXBWZLMFGS-IBGZPJMESA-N 420.469 2.876 0 50 HFAA CC[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OC)cc1 468708668 ZSNRUGDHUUIQJG-SFHVURJKSA-N 403.504 2.524 0 50 HFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@]12C(=O)Nc1ccc(C3CCCC3)cc12 811638047 QZGMWTHCIFLZDD-XMMPIXPASA-N 418.497 2.787 0 50 HFAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC3)n2)cc1 952894820 UFVPLLFSASGDSE-HNNXBMFYSA-N 417.531 2.539 0 50 HFAA COc1ccc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1Cl 1857670549 UIYQCCWGVOHFJC-ICSRJNTNSA-N 414.889 2.991 0 50 HFAA CC(=O)NCCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857699205 RNUVNERWKUYUBP-OAQYLSRUSA-N 401.551 2.611 0 50 HFAA O=C(C[C@@H]1CNc2ccc(Br)cc21)N[C@@H]1C(=O)NCc2ccccc21 2325860581 LXVHFQUTHBHXQC-XIKOKIGWSA-N 400.276 2.836 0 50 HFAA O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1CCCCC1 2864110 UHFYMMXKRQMGCO-BWWMBTDCSA-N 400.478 2.891 0 50 HFAA COc1ccc(CNCc2cnn(C)c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 11709711 CYVWIBKRTRKKHH-QFIPXVFZSA-N 424.545 2.590 0 50 HFAA Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4cn(C)c5ccccc45)CC3)O2)n1 11784419 SNZNPNKQMILPFJ-LJQANCHMSA-N 421.545 2.855 0 50 HFAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 12029701 FPRCEHMXBVMXQV-OAHLLOKOSA-N 417.941 2.594 0 50 HFAA O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1cccs1 13465513 USLZCERPUYNSDY-LLVKDONJSA-N 424.569 2.858 0 50 HFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2CCCC2=O)C1 14978961 WUKRPXOFJADLPK-NRFANRHFSA-N 406.910 2.677 0 50 HFAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN1CCOCC1 15064479 SMCJLNGYRMPHFK-HXUWFJFHSA-N 420.937 2.710 0 50 HFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 19720673 HFCMLMCCMXHQKS-CQSZACIVSA-N 421.998 2.653 0 50 HFAA CCOc1ccccc1CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1 22752393 IIDUJUPWHMWUSC-UHFFFAOYSA-N 411.531 2.846 0 50 HFAA CCn1nc(C(=O)NC)c2c1CC[C@H](NCC1(N3CCCCC3)CCCCC1)C2 32551014 VKUCFFVHCNWXDL-SFHVURJKSA-N 401.599 2.898 0 50 HFAA CCc1cc(C(=O)N2CCC[C@H]3CN(C(=O)Cc4ccccc4OC)CC[C@@H]32)n(C)n1 43619690 WIJYYOZCDLJCMH-ICSRJNTNSA-N 424.545 2.687 0 50 HFAA O=C(C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1)N1CCOCC1 55183380 XZVJFGVIBCWJLG-UHFFFAOYSA-N 405.970 2.875 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCc4ccccc4)CC3)nc(C)n2)n1 67601751 MHZUKVDFTUWNRS-UHFFFAOYSA-N 404.518 2.869 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91896656 RSQKTGAKMYPXBC-SFHVURJKSA-N 403.523 2.634 0 50 HFAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]3C(=O)NC(=O)[C@H]3C[C@@H]12 136067606 HLIJZHCIQBBRDH-MUTBKBLNSA-N 415.100 2.562 0 50 HFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](CC(C)C)c2nnc3ccccn23)[nH]n1 206256938 YMGUPAHWSRDVGN-MRXNPFEDSA-N 406.494 2.987 0 50 HFAA COc1cc(Br)c(S(=O)(=O)NC(=O)c2sccc2F)cc1OC 241124271 JGVGMBRCRGPXQT-UHFFFAOYSA-N 424.269 2.786 0 50 HFAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc2ccccc2c(=O)c1O 253409444 LVTCBDJKHPDSSL-AWEZNQCLSA-N 412.394 2.973 0 50 HFAA biogenic COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(OC)c(OC)c4)ccn3n2)c1 263619476 YVHRYEYIPBTNLC-HXUWFJFHSA-N 421.453 2.922 0 50 HFAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccc(OC)cc3)n2)CC1 952895345 ZYTHJVALYGAYQN-PXNSSMCTSA-N 415.534 2.744 0 50 HFAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1C 1529191037 SCYCXELPLNTGLT-NHCUHLMSSA-N 401.459 2.595 0 50 HFAA CN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(Cc3cccc4[nH]ccc34)CCO2)C1=O 1857696888 PPKCXKHHXDHEMA-PDXXHEQOSA-N 408.546 2.596 0 50 HFAA CN(C)c1nc(CN(Cc2cccc(Cl)c2)c2ccc3nc(O)[nH]c3c2)nc(=N)[nH]1 2325747450 ZKHTWEODYCXMPU-UHFFFAOYSA-N 424.896 2.792 0 50 HFAA Cc1c(C(=O)NC[C@H]2CCCN2C(=O)c2nn[nH]c2C(F)(F)F)oc2ccccc12 2325828855 TYDOZUFJEYGGEQ-LLVKDONJSA-N 421.379 2.913 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cccc3cc[nH]c13)C[C@@H]2O 2356163151 QOXVCPPZVRPGMA-OOICKAIWSA-N 403.482 2.521 0 50 HFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(O)c(OC)c(OC)c1 627092 KUOWCJUBNWFGES-UHFFFAOYSA-N 405.447 2.770 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1 634922 GVVOLIWKQQARAM-QGZVFWFLSA-N 416.455 2.863 0 50 HFAA Cc1cccc(N2CCN(C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)CC2)c1C 6704776 UDPGFANJUCFWMV-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F 12591595 YQMWCVLUITYCKH-MRXNPFEDSA-N 416.497 2.507 0 50 HFAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)Cc2cccnc2)CC1=O 14535825 VTXWMRPRKCUWHW-OAQYLSRUSA-N 413.493 2.675 0 50 HFAA CC(C)CN1C[C@@H](C(=O)N2CC[C@@H](N(C)C)C2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14540771 WMCFMOFFBPQMAR-LVCYWYKZSA-N 418.557 2.521 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C3CSCCSC3)C2)c1 15074923 MZTOCXCGXMRMRM-OAHLLOKOSA-N 410.605 2.994 0 50 HFAA Cc1cc(-c2nnc(CCC(=O)N3CCN([C@@H]4CCc5ccccc5C4)CC3)o2)no1 19731671 UEKFOAFSFFYPBJ-LJQANCHMSA-N 421.501 2.667 0 50 HFAA O=C(c1cn(CC2CCCCC2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20536285 BZSKUSQPQILSCZ-UHFFFAOYSA-N 411.506 2.545 0 50 HFAA CCOC(=O)c1cnn(C)c1NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C)nc21 20602661 MVFGFXGXKPFRCW-UHFFFAOYSA-N 424.383 2.616 0 50 HFAA COc1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4nc(SC)n[nH]4)ccc23)cc1 22610650 CIIYYOFFNQMRGN-UHFFFAOYSA-N 419.470 2.857 0 50 HFAA COCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)CC[C@@H]21 23158965 WYTGYKBJNINKIU-YADHBBJMSA-N 424.545 2.648 0 50 HFAA Cc1cc2ccccc2n1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55061082 LTYLMIRXOOLOGE-JOCHJYFZSA-N 422.504 2.596 0 50 HFAA CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C(=O)O)cc3)n2)cc1 61719904 BQRARQZAHAJQOC-UHFFFAOYSA-N 409.467 2.647 0 50 HFAA O=C(NCCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82099628 GUDKWFVPXYOQEX-JOCHJYFZSA-N 407.562 2.512 0 50 HFAA CC(C)c1nc(N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)no1 82106093 MFKFCGKMYVMYEV-GOSISDBHSA-N 412.538 2.585 0 50 HFAA O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1 96316606 ZBHFUACXZWCEKR-CQSZACIVSA-N 403.232 2.600 0 50 HFAA O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 165865368 JMQHDPGEFRNBMV-CTVDGRRTSA-N 405.498 2.551 0 50 HFAA COc1cc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)ccc1-n1nc(C)cc1C 223230717 JYVYWSYSKNGCOX-HXUWFJFHSA-N 417.473 2.907 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1Cc1ccccc1 229654464 NHCQRBNPGXRMQS-RTXPOLOASA-N 421.884 2.767 0 50 HFAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc2ccccc2c(=O)c1O 253409447 LVTCBDJKHPDSSL-CQSZACIVSA-N 412.394 2.973 0 50 HFAA biogenic O=C(N[C@H](CC(=O)N1CCc2ncnc(O)c2C1)c1ccccc1)c1ccccc1 477260261 WDLPQMASPFWSJV-HXUWFJFHSA-N 402.454 2.628 0 50 HFAA CC[C@H](NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)c1ccnn1C 1506421951 LZCJRVHONPXDOV-VIFPVBQESA-N 403.386 2.852 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772701377 LESMTHZQHHVGDO-NZQKXSOJSA-N 412.555 2.531 0 50 HFAA N[C@H]1CCCO[C@H]1C1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 1775988714 BYXJMBBUFNJFJJ-KXBFYZLASA-N 424.879 2.887 0 50 HFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857729823 HICXVGKHLIAXCI-OALUTQOASA-N 402.926 2.638 0 50 HFAA COc1c[nH]c(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O 2356142168 HENQIDFZOSUBOP-DEOSSOPVSA-N 416.481 2.961 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cccnn4)C3)c3cccc(=O)n32)c1 2356153551 LQFCEWOGNWQKHM-FGSXEWAUSA-N 416.481 2.690 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1 1194869 PGKCVLANAKULBE-UHFFFAOYSA-N 401.378 2.921 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3017228 IPPDVFKMEFRLGV-UHFFFAOYSA-N 401.410 2.957 0 50 HFAA COc1ccc(-n2c(CNC(=O)c3cc(OC)ccc3OC)nnc2SC)cc1 11912733 CVMDLHWUTGPLFH-UHFFFAOYSA-N 414.487 2.945 0 50 HFAA COc1ccc([C@]2(CC(=O)N(C)[C@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 12098409 VXXBLLMNRJQGSA-SZNDQCEHSA-N 415.515 2.696 0 50 HFAA Cc1c(C(=O)NC[C@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12133032 CTKUBTIPQGJRLN-QGZVFWFLSA-N 416.529 2.808 0 50 HFAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2C 12410784 XPAVFCQNVSSHQF-UHFFFAOYSA-N 407.470 2.814 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@H]4CCOC4)CC3)c2)s1 12581903 ZIDWPXFIRYNOIJ-INIZCTEOSA-N 400.504 2.727 0 50 HFAA Cc1c(C(=O)NCC(C)(C)CN(C)C)sc2ncnc(NC[C@@H]3CCCO3)c12 14969571 RGJSDUXZDYEKLD-AWEZNQCLSA-N 405.568 2.908 0 50 HFAA O=C(Cc1ccccc1Cl)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 14992032 XZWMQNGEXYMNGX-INIZCTEOSA-N 415.925 2.649 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)CC1 15079092 UGORYTNJSFHTCZ-LJQANCHMSA-N 417.550 2.687 0 50 HFAA O=C(NC1CCN(Cc2ccccc2)CC1)c1c(-n2cnnn2)sc2c1CCC2 40286821 XZFKIVUSQCILPV-UHFFFAOYSA-N 408.531 2.607 0 50 HFAA COCCn1c(CN(C)Cc2ccccc2OC)cnc1S(=O)(=O)CC(C)(C)C 55133273 NKVNMWIHDMKVGZ-UHFFFAOYSA-N 423.579 2.990 0 50 HFAA CC1=C(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)OCCO1 55282175 JOEIDHICCJPZPR-LJQANCHMSA-N 405.926 2.731 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccc(Cl)cc1)CC(=O)N2 65362747 GWDOQPSOATWOCS-MRXNPFEDSA-N 424.892 2.935 0 50 HFAA C[C@H]1CCCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Br)C1 72117205 GENGDEHBYDBFFI-NSHDSACASA-N 412.309 2.620 0 50 HFAA Cc1noc(C)c1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77391742 LONOGFHDDTUGKD-MXBUBSDBSA-N 413.518 2.755 0 50 HFAA O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCN(c2ccc(F)cc2)C1=O 147751131 FSKJDGGZRLPFJW-MRXNPFEDSA-N 415.808 2.583 0 50 HFAA O=C(O)[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 328594461 LMGJWVOXVOWSTD-HZPDHXFCSA-N 420.465 2.943 0 50 HFAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](CC(=O)O)c4ccccc43)cc21 755968407 KUOQYTCSXNBRTD-LBPRGKRZSA-N 400.456 2.684 0 50 HFAA CC(C)CN1C[C@H](C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1=O 1289557914 NCKWSOUZGZIUGH-MRXNPFEDSA-N 401.894 2.993 0 50 HFAA Cn1ncc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c1Cc1ccccc1 1470437839 REVJZIXKTRWJDN-SFHVURJKSA-N 403.442 2.534 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)Nc4cccc(F)c4)C[C@@]3(CO)C2)c(C)o1 1772813016 VBSALFJLIYDSCB-QVKFZJNVSA-N 401.438 2.634 0 50 HFAA Cc1cc(C)n(CC2(CNC(=O)c3cc4c(s3)C3(CCNCC3)OCC4)CC2)n1 1857684785 DEDLWGGUHLTICR-UHFFFAOYSA-N 414.575 2.923 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1 1875322914 NLGAUIQEQIEJGA-BULFRSBZSA-N 420.465 2.632 0 50 HFAA Cc1nsc2ncc(C(=O)NC[C@@H](c3cccs3)N3CCN(C)CC3)cc12 2325728443 ROBQSJJPIFWFHO-INIZCTEOSA-N 401.561 2.780 0 50 HFAA COc1ccc([C@H](NC(=O)c2cnc3cnccc3c2)C(=O)O)cc1Br 2325877124 JXFDKYFFSRQLHN-INIZCTEOSA-N 416.231 2.957 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1 1162084 PHOWERFGNBZIHH-UHFFFAOYSA-N 414.483 2.796 0 50 HFAA COC(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 2172654 AHYPDFXHKZEJDR-QRWLVFNGSA-N 423.469 2.683 0 50 HFAA CC(=O)Nc1cc(CNCc2ccccc2Cl)cc(C(=O)N2CCN(C)CC2)c1 11840882 BEWKGRSXDPIVEC-UHFFFAOYSA-N 414.937 2.976 0 50 HFAA CCN(Cc1ccncc1)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O 12162987 NXKHQUNDFANFKX-XMMPIXPASA-N 421.497 2.688 0 50 HFAA CC(C)C[C@H](N[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1)C(N)=O 14542489 DPIWISFPHNFPKI-HKUYNNGSSA-N 417.598 2.512 0 50 HFAA CSc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)cc1 15008020 QBBMDZQTSGRGQV-MJGOQNOKSA-N 400.552 2.613 0 50 HFAA CN(C(=O)C[C@@H]1C(O)=NCCN1Cc1ccccc1C(F)(F)F)C1CCOCC1 55109284 BGMYMPAHDZYWJF-QGZVFWFLSA-N 413.440 2.874 0 50 HFAA O=C(Cn1ncc(N2CCCC2)c(Cl)c1=O)Nc1ccc(Br)cc1 72117387 PVASWZLKFLKKNE-UHFFFAOYSA-N 411.687 2.898 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N1CCC2(CC1)CN(C[C@@H](C)c1ccccc1)C(=O)O2 72480728 IFPDYJMQMCJEQS-OAHLLOKOSA-N 412.490 2.583 0 50 HFAA C[C@@H]1C[C@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)CN1C 195777574 URNGAGFSEVYAOW-DRLORSAXSA-N 401.626 2.787 0 50 HFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 245256306 OJSQIZKKEXDXAI-CMOCDZPBSA-N 416.477 2.791 0 50 HFAA COC(=O)c1ccc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 253413018 STUJOZMJEHVVGJ-UHFFFAOYSA-N 424.453 2.875 0 50 HFAA biogenic O=C(O)COc1ccccc1[P@](=O)(O)N(C[C@@H]1CC=CCC1)C[C@H]1CCCO1 263621493 BZPROTKQYJCGFG-IAGOWNOFSA-N 409.419 2.798 0 50 HFAA O=C(O)C[C@H](NC(=O)Cn1c(O)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 485736238 SQMIQCKBFVWHBD-AWEZNQCLSA-N 423.347 2.973 0 50 HFAA O=C(c1ccc(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)nc1)N1CCCC1 1704327440 DEWTUYBIMDWQRZ-KNQAVFIVSA-N 402.498 2.906 0 50 HFAA Cc1c(-n2ccnc2-c2cnc(NC[C@H]3CCCO3)nc2)c(N2CCCC2)nn1C 1857681222 CSBDBQAJKUKVTQ-QGZVFWFLSA-N 408.510 2.562 0 50 HFAA C=CC(=O)N(C)c1ccc(C(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 1875373882 SOVBKCLMHJRQER-UHFFFAOYSA-N 421.519 2.694 0 50 HFAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 944945 PCMCSAAKCUQBFA-GHMZBOCLSA-N 411.483 2.595 0 50 HFAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1N1CCOCC1 1123218 RFKGKILSNZSDAU-UHFFFAOYSA-N 401.488 2.667 0 50 HFAA COc1ccc(C)cc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 2814343 YMWKMUXAQZTMSC-UHFFFAOYSA-N 414.593 2.952 0 50 HFAA Cc1ccc(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 5008401 IUJBGEOAJGGKFO-UHFFFAOYSA-N 415.559 2.657 0 50 HFAA CC(C)OCCCNC1CCN(c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)CC1 11786274 NJSJYZVCXAXCRS-QFIPXVFZSA-N 403.567 2.657 0 50 HFAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCO2)CC1 11878582 PBXNCXHQRGJMKC-SFHVURJKSA-N 413.478 2.878 0 50 HFAA COc1ccc(CN2CCC(CO)CC2)cc1OC[C@H](O)CN1CCCCCCC1 12314922 JUAYJPRHHAJPHP-JOCHJYFZSA-N 420.594 2.905 0 50 HFAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CN2CCOC2=O)C1 12836308 PDYNTRRLZRBBKT-FLVSMNSFSA-N 400.475 2.714 0 50 HFAA Cc1nc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)N2)nc2ccccc12 13471418 JDBPNCSZIHLCFS-INIZCTEOSA-N 408.849 2.887 0 50 HFAA CCN1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(F)c3)C2)CC1 14732950 HQXVTCUGNXEGRC-JOCHJYFZSA-N 405.558 2.995 0 50 HFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCOC)C(=O)N2CCc1ccc(OC)cc1 14754381 BZXRACFSTQHZIG-SFHVURJKSA-N 417.550 2.781 0 50 HFAA COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 15069769 DNYSWLKEDYYTOY-HNNXBMFYSA-N 411.380 2.532 0 50 HFAA C[C@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CCN1C 19800110 GMDCUALCYBGIET-KRWDZBQOSA-N 408.612 2.783 0 50 HFAA CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1cnn(CC)c1C 20614390 YYHVIGFGHKPRDR-UHFFFAOYSA-N 401.536 2.861 0 50 HFAA O=C(CCn1cnnn1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cc(F)ccc1F 20777494 NAQLJJFWIZMXAL-NRFANRHFSA-N 408.412 2.997 0 50 HFAA CC(C)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1 169777112 HFJILSKFMWJUSP-UHFFFAOYSA-N 403.490 2.972 0 50 HFAA Cc1nc(CO[C@H]2CCN(C(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)C2)cs1 170599084 PQZGAWXUKIOWTN-FPOVZHCZSA-N 415.559 2.953 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)ccc1OC 170624297 QESMWSNNXJTCIK-QEEYODRMSA-N 418.515 2.594 0 50 HFAA CCOC(=O)c1ccc(N2CCN([C@@H](C)c3ncc(Br)cn3)CC2)nc1 225520658 DVFGRZHAFSAUQR-ZDUSSCGKSA-N 420.311 2.694 0 50 HFAA COc1ccccc1N1CCN(c2ncncc2-c2nc(-c3cccnc3)no2)CC1 263615148 AUTCBYUEDBQUCU-UHFFFAOYSA-N 415.457 2.924 0 50 HFAA O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)[C@@H]2N1 334161838 JMNDZEYPZARKOQ-WSTZPKSXSA-N 416.522 2.918 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN(C)C(C)C)CC2)cc1C 408516957 NTQRYUTZZJSRGK-GOSISDBHSA-N 409.596 2.549 0 50 HFAA CNC(=O)[C@H]1CCCN1CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 434723377 ZZWFDGIEQQOIPY-OAQYLSRUSA-N 417.513 2.997 0 50 HFAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@@H]([C@H](O)C(F)(F)F)C3)cs2)c1C 444735395 ZTUMBSHHGTZAMX-DOMZBBRYSA-N 416.469 2.656 0 50 HFAA COCC1CCN(S(=O)(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CC1 670444442 YDMGDBWMCIRQCH-OAQYLSRUSA-N 409.596 2.624 0 50 HFAA Cc1cccc(N2CCC(NC(=O)c3nccnc3C(=O)N3CCCCC3)CC2)c1 670447854 JBVMGOZQRYTTAR-UHFFFAOYSA-N 407.518 2.810 0 50 HFAA CCOCC(=O)N1CCC(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)CC1 952969924 QRPVCGVREIQSBT-HXUWFJFHSA-N 404.507 2.848 0 50 HFAA CCN(Cc1ccccc1CS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1506395814 HVALAPURTPDKJK-IBGZPJMESA-N 407.557 2.670 0 50 HFAA O=C(N[C@H](Cc1nccc(O)n1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1772717286 PETVPSRFBVZTMN-GOSISDBHSA-N 405.410 2.717 0 50 HFAA CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)nc2ccccc21 1857735377 AZRUDQMPKGQVPJ-CYBMUJFWSA-N 412.519 2.700 0 50 HFAA Cc1ccccc1-c1ncc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cn1 1875244547 UIVIDRSRPDTQRW-UFYCRDLUSA-N 405.502 2.712 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)ncn1 795651 AINQNYLOWNZWTG-UHFFFAOYSA-N 402.407 2.677 0 50 HFAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)n(C)n1)CCCC3 2780476 REOOOYSGCFQTFK-UHFFFAOYSA-N 411.409 2.781 0 50 HFAA COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1 4473951 VEICGGMYJWVLPU-UHFFFAOYSA-N 418.515 2.912 0 50 HFAA COc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=N)N=C3O)c3ccccc32)cc1 13801386 OXSKGYZWKJHVNV-PFONDFGASA-N 415.452 2.780 0 50 HFAA O=C(c1ccn(COc2cccc(Cl)c2)n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 13960023 NPAGOCDIVGIOIG-MRXNPFEDSA-N 420.750 2.994 0 50 HFAA O=C(Cn1cccn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 15067947 ALTQXYFTSSZNFC-NRFANRHFSA-N 414.525 2.942 0 50 HFAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 20029128 RCOXYMZPDULJST-HXUWFJFHSA-N 403.910 2.860 0 50 HFAA O[C@@H](COc1ccccc1CNCCN1CCCC1)CN1CCc2ccccc2C1 20776477 VAMBVYRTYHBVBP-XMMPIXPASA-N 409.574 2.670 0 50 HFAA COc1ccc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)o1 77320258 YSIPPPMAAOSUTP-UHFFFAOYSA-N 413.455 2.683 0 50 HFAA CC(=O)Nc1cccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 170625644 DVJXGZNYBGHFHR-IBGZPJMESA-N 408.458 2.527 0 50 HFAA CCn1cc(C(=O)NS(=O)(=O)c2ccc(Br)nc2)c2ccccc21 225690465 HUIHFDQRUAAVQE-UHFFFAOYSA-N 408.277 2.937 0 50 HFAA CCc1ccc([C@H]2CNCCN2S(=O)(=O)c2cnc3onc(CC)c3c2)cc1 241316897 LVWBKUCBKWPCDE-LJQANCHMSA-N 400.504 2.683 0 50 HFAA C[C@H]1Oc2ccccc2N(CCC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC(C)(C)C)C3)C1=O 253417324 HNTKIUBYPKZRGG-TWMKSMIVSA-N 414.502 2.912 0 50 HFAA CN1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2cc(Cl)ccc21 460321846 APUJRCNCUONZAX-UHFFFAOYSA-N 404.898 2.768 0 50 HFAA CN(C)CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1 952972583 ITCABXAHRNYPJR-UHFFFAOYSA-N 411.437 2.947 0 50 HFAA CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc3c(cn2)CCCC3)c1 1343789815 JIFSXEMEAJZRGM-UHFFFAOYSA-N 424.320 2.883 0 50 HFAA COCCN1CCC[C@@]2(CCCN(C(=O)c3ccc4c(c3)CCCO4)[C@H]2C)C1=O 1875244887 YVMHZSRPTBPWKU-SBUREZEXSA-N 400.519 2.891 0 50 HFAA Cc1cccc(OCCN(C)C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)c1 1875350085 ABLKZONNGAWAHB-UHFFFAOYSA-N 419.441 2.548 0 50 HFAA CCn1ncc(NC(=O)[C@@H](C)n2ncc(Cl)c2C)c1C(=O)Nc1cnn(C)c1C 2800140 VMKDKPFUEBSPIH-GFCCVEGCSA-N 418.889 2.555 0 50 HFAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(O)c2)cc1 4626192 OBVAVLBPNBZONW-UHFFFAOYSA-N 415.453 2.665 0 50 HFAA COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C 6072453 CNLWELDGGVBFGF-UHFFFAOYSA-N 412.471 2.993 0 50 HFAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)NC1CCCCC1 6715837 KNEGSHHBBSAUES-UHFFFAOYSA-N 403.504 2.631 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CCc3ccco3)C2)c1 12204310 WVSMGCBZRWMKGX-MRXNPFEDSA-N 400.475 2.898 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 12315848 PXAVXRZRNANOEB-GOSISDBHSA-N 418.428 2.801 0 50 HFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 12406115 CJBSKWBXZWKODC-NRFANRHFSA-N 410.470 2.969 0 50 HFAA COC[C@@H]1CCCCN1C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12718023 INGBOXKRIGNXQJ-INIZCTEOSA-N 403.479 2.638 0 50 HFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccn1)CC2 14733580 LWXVCOSCTKTAEI-UHFFFAOYSA-N 407.518 2.932 0 50 HFAA Cc1nc(CN2C[C@H](OCc3ccncc3)CN(Cc3ccoc3)CC2=O)cs1 14744828 FNJRHZUCDLHHSL-HXUWFJFHSA-N 412.515 2.869 0 50 HFAA COc1cccc(CNC(=O)Cn2cc(NC(=O)CSc3ccccc3)cn2)c1 14993434 GEVPJNZZOQXHHY-UHFFFAOYSA-N 410.499 2.939 0 50 HFAA COCCn1c(CN2CCc3sccc3C2)cnc1S(=O)(=O)CC(C)(C)C 15067744 XHSLSVDANIFEPX-UHFFFAOYSA-N 411.593 2.969 0 50 HFAA O=C(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1ccco1 20598390 WRKUWNONASFODQ-UHFFFAOYSA-N 421.501 2.591 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C[C@@H](C)c1ccccc1)CC2 23159583 NDYXXQVRUPTBPU-GOSISDBHSA-N 409.530 2.755 0 50 HFAA CCN1CCC[C@@H]1CN(Cc1cccc2nonc12)CC1CCN(CCOC)CC1 23358298 SWRVZGIGLRRMBT-OAQYLSRUSA-N 415.582 2.868 0 50 HFAA O=C(COc1ccccc1)Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387770 PCDBTCICQPRDMM-UHFFFAOYSA-N 411.421 2.860 0 50 HFAA Cc1csc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1 82091185 TZKGDAFHUHWEIM-IBGZPJMESA-N 413.591 2.839 0 50 HFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC 209312998 IYSAUJKPQMUFPV-VQIMIIECSA-N 400.479 2.663 0 50 HFAA Cc1cc(C)nc(NNC(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)n1 253417731 IFTBISJUMLAFFJ-UHFFFAOYSA-N 410.446 2.845 0 50 HFAA CC(C)(C)n1ncc2c(N3CCOC[C@@H]3c3ncnn3-c3ccccc3)ncnc21 253419413 OXDBTDURYOQAHF-QGZVFWFLSA-N 404.478 2.740 0 50 HFAA CCC[C@@]1(C2CCN([C@H]3CCSC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299786945 UQBYJXLKFMZZMR-UGKGYDQZSA-N 416.591 2.932 0 50 HFAA COC(=O)c1c(C)[nH]c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1C 409413861 LHJFWJOCZCRWBI-CQSZACIVSA-N 414.458 2.957 0 50 HFAA biogenic O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1csc(Cc2ccccc2)n1 670470848 CUMMKJAMRKPUKW-FQEVSTJZSA-N 408.527 2.932 0 50 HFAA CC(C)[C@@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)c1nc2ccccc2[nH]1 886024155 JNQRHNPHXIXOPC-LJQANCHMSA-N 405.458 2.882 0 50 HFAA Cc1nnnn1-c1ccc(CC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cc1 952968700 FLDQLFGFJISZPX-UHFFFAOYSA-N 418.545 2.884 0 50 HFAA CCOc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1CO 1529191187 UDPWVINZPWKVCG-DHIUTWEWSA-N 417.502 2.529 0 50 HFAA Cc1ccc2oc(N3CCC(c4nc([C@H](C)O)nn4-c4ccccn4)CC3)nc2n1 1857679174 YPKPEKIVZGPSQR-AWEZNQCLSA-N 405.462 2.944 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1c(C)noc1C)C2 1857687241 MPUMFWVDSQPOBP-XQBPLPMBSA-N 405.539 2.548 0 50 HFAA CN(C)CC(=O)N1CCC2(CCC[C@H]2NC(=O)c2conc2-c2ccccc2)CC1 1857701945 SNXFNTXIEVEJGJ-LJQANCHMSA-N 410.518 2.794 0 50 HFAA CC(C)(C)OC(=O)NCc1ncc(C(=O)OCc2cc(-c3ccncc3)n[nH]2)cn1 1875353245 YNSJZKMWMMKCHM-UHFFFAOYSA-N 410.434 2.643 0 50 HFAA Cc1ncc(CO)c(CS[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1O 2325879868 KPLPXHDCKYDUTL-QFBILLFUSA-N 415.559 2.600 0 50 HFAA COc1ccc(CNC(=O)c2cc3c(s2)CCOC32CCNCC2)cc1OC 2356153556 LZRDUUDIRNPTIH-UHFFFAOYSA-N 402.516 2.847 0 50 HFAA COc1ccc([C@@H]2[C@@H](c3ncnn3-c3cccc(C)n3)OCC(=O)N2C2CC2)cc1 2356153698 RITCDSSZSXMVJQ-RTWAWAEBSA-N 405.458 2.783 0 50 HFAA COc1ccc2oc(=O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1 704960 ZGMCCWXYJUVZLT-UHFFFAOYSA-N 405.410 2.852 0 50 HFAA biogenic CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 4113551 IGSAPZUOAZDRCW-INIZCTEOSA-N 410.492 2.637 0 50 HFAA Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCN1CCCC1 5058117 FKYHHKNLGIQSIX-MHZLTWQESA-N 409.939 2.764 0 50 HFAA aggregator Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 11954991 COYXBDKJOBMGAF-GOSISDBHSA-N 400.548 2.582 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccccc3OC)on2)C1 12057618 JPECNICWKSZCBC-MRXNPFEDSA-N 415.490 2.983 0 50 HFAA COc1ccc(CN2CCC(O)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12463901 DFNOKCSPYOFKSG-JOCHJYFZSA-N 414.546 2.524 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 19551555 FTBKIQURDHKWSS-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3cccnc3SC)CC2)CC1 20781045 HTFBTHNVYVYJDA-UHFFFAOYSA-N 404.580 2.600 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(F)c2)CN1Cc1ccccc1Cl 39552341 NQANZBLTCWOFHZ-CTNGQTDRSA-N 419.928 2.974 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65365638 QBPWTGDIVSHXKC-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA Cc1occc1C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82092799 HUVJIZAHHPEZSL-SFHVURJKSA-N 410.518 2.616 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCC[C@@H]2c2nccs2)CC1 95504770 CYQUCKOUCAUSMH-MRXNPFEDSA-N 403.556 2.505 0 50 HFAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@@H](c5ccccc5F)N(C)C)(C4)C2)C3)n1 952971666 UGMFPBWGCXGTLJ-MTELPAQESA-N 412.513 2.588 0 50 HFAA CCCCc1ccc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)COC)[C@@H]3O)cc1 1772712126 IIPKTZRGKMRXBR-XZOQPEGZSA-N 418.578 2.666 0 50 HFAA OC[C@]12CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]1CN(Cc1ccccn1)C2 1772814333 TYBQETXBXHHEFE-AUSIDOKSSA-N 411.933 2.937 0 50 HFAA Cc1cccc(Nc2nc(N)nc(CN3CCC(c4ccn(C)c(=O)c4)CC3)n2)c1 1772815905 BWDRHQYQSRAZOU-UHFFFAOYSA-N 405.506 2.584 0 50 HFAA CCCOc1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4csc(N)n4)CC[C@@H]32)cc1 1775981345 LBGSRGKIVSLBIA-YOEHRIQHSA-N 400.504 2.501 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c(O)n1 1857714576 WZAHFUFFZGKBAK-QHCPKHFHSA-N 417.469 2.773 0 50 HFAA C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CCN1c1ccccc1F 1875262046 FYLYBCMPAYJWKY-OXQOHEQNSA-N 404.507 2.519 0 50 HFAA Cc1ccc(OCc2nn(CN3CCC4(CC3)OCCO4)c(=S)n2C)cc1C 784081 ZOUZOGOUNLSFQY-UHFFFAOYSA-N 404.536 2.943 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1Cl 797064 DYIXMTLVKPAEDE-CYBMUJFWSA-N 412.895 2.659 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 821618 QWXFXTUWBKZIKH-GOSISDBHSA-N 414.303 2.903 0 50 HFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 4554998 MQECNQPLCYZCDN-GOSISDBHSA-N 404.216 2.615 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 9197322 ZABZUCBYPGMIHJ-NRFANRHFSA-N 419.525 2.637 0 50 HFAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2cc(C)nn2C)C3)n1 12219105 HBIWYKJOHANYSW-UHFFFAOYSA-N 408.458 2.843 0 50 HFAA CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12715028 TVECPDQGXSAKHL-IBGZPJMESA-N 401.526 2.897 0 50 HFAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CC1 12754160 QOWLULJVCGUEMN-QHCPKHFHSA-N 421.541 2.682 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CN(C)CCc2ccccn2)cc1OC 15070755 MXCGQFUDWMYQJL-OAQYLSRUSA-N 401.551 2.846 0 50 HFAA c1ccc([C@H](Cn2ccnc2)Nc2nc3nonc3nc2N2CCSCC2)cc1 15074374 NFPQOLSWOXSCHU-HNNXBMFYSA-N 408.491 2.616 0 50 HFAA CCOC(=O)[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 23145168 AIHSJTRTSOMPOS-KRWDZBQOSA-N 411.568 2.642 0 50 HFAA COc1cc(CN2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc(OC)c1 23153479 UCVWRQUIOYFFLA-FQEVSTJZSA-N 402.539 2.550 0 50 HFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N[C@H]2CCCCNC2=O)nc1 39364154 PUJLKYKDWAWACK-FQEVSTJZSA-N 403.486 2.983 0 50 HFAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 137967709 PLPJJFCNQSRADL-YDLHNXBPSA-N 403.482 2.884 0 50 HFAA CC(C)[C@]1(C)CC(=O)N(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 170629662 CIINENDZTAGVLS-MCFFVMPBSA-N 401.507 2.660 0 50 HFAA CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 196624850 SOEQWLAFMILYLZ-HXUWFJFHSA-N 411.889 2.997 0 50 HFAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c12 225429229 YECKMWXNBPKWBJ-CVEARBPZSA-N 405.502 2.821 0 50 HFAA biogenic Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 225654967 GBEHASBWKBDYRQ-IRXDYDNUSA-N 401.308 3.000 0 50 HFAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)cc1OC 248227622 JSDGFAHBPBQPTD-HDICACEKSA-N 415.538 2.955 0 50 HFAA CN1N=C(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CCC1=O 253416573 OOYQZUNOBWYGIE-UHFFFAOYSA-N 404.442 2.666 0 50 HFAA CN(C)CCN(C)CCCN(C)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 253425149 PVPHFONIIQPXQO-UHFFFAOYSA-N 417.598 2.589 0 50 HFAA COc1ncc(CN(C)[C@H]2CCCC[C@H]2N(C)Cc2cnc(OC)nc2C)c(C)n1 499611031 NBCHMSNXFPUSSM-BGYRXZFFSA-N 414.554 2.776 0 50 HFAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@]2(CCCc3ccccc32)C1 753311561 FIENICUUSYUYIY-IRLDBZIGSA-N 411.527 2.613 0 50 HFAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccn2)C1 952975508 KLGRHGNOVGHYNA-INIZCTEOSA-N 402.476 2.743 0 50 HFAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CN1Cc1ccncc1 1704302482 MPEKHTOUTCYFBD-KRWDZBQOSA-N 411.527 2.582 0 50 HFAA CCCc1ccc(CN2C[C@@H]3CN(C(=O)c4nsnc4C)C[C@@]3(CN(C)C)C2)o1 1772808747 AHJKWUSCQDIMHL-IIBYNOLFSA-N 417.579 2.528 0 50 HFAA CCc1nccn1CCc1nc(Cc2ccc(OC)c(OC)c2)nn1[C@@H]1CCOC1 1772818744 XRFHUMPUGPRHQH-QGZVFWFLSA-N 411.506 2.849 0 50 HFAA CSc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC(F)(F)CC2)C1 1857699298 LRHFQFSPMAJMLZ-AUUYWEPGSA-N 410.486 2.755 0 50 HFAA C[C@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CCN1c1cnccn1 2325824717 NTZZFBHRMNSLGY-UONOGXRCSA-N 404.312 2.777 0 50 HFAA NC1CC(Cn2cc(C(=O)NC3(Cc4ccc(F)cc4F)CCCCC3)nn2)C1 2325839888 HXTYIRGEZZDUMX-UHFFFAOYSA-N 403.477 2.969 0 50 HFAA COc1ccc(-c2onc(N3CCC[C@H](CN4CCOCC4)C3)c2C(=O)O)cc1 2356154758 IPPGGXSPPRJXIL-OAHLLOKOSA-N 401.463 2.597 0 50 HFAA COc1ccc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 2985702 IFMKOVCJSMOSKK-HNNXBMFYSA-N 408.545 2.758 0 50 HFAA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 3062671 NNOBHAOOLCEJBL-RTBURBONSA-N 412.486 2.935 0 50 HFAA CSc1sc(C(=O)O)c(I)c1S(=O)(=O)C(C)C 4266738 JZPDZYQLJHQPEI-UHFFFAOYSA-N 406.288 2.955 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN([C@@H](C)Cc2cccnc2)CCO3)CC1 11790741 OHRRJNOXXMAAIH-IBGZPJMESA-N 408.546 2.571 0 50 HFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC(=O)N(C)C)C1 11840429 KUQOTEVKLIIDTN-OAQYLSRUSA-N 408.926 2.923 0 50 HFAA CCc1nc2cc(N)cc(C(=O)NC[C@H]3COc4ccccc4O3)c2n1CCCOC 12241911 ZOZRXADBVFXFDG-INIZCTEOSA-N 424.501 2.787 0 50 HFAA O=C(N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1)C1(c2ccccc2)CC1 12574366 QYNQQWMXIKTEMZ-MRXNPFEDSA-N 404.557 2.997 0 50 HFAA Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427347 HRMXAWGZWPUXLM-BXWFABGCSA-N 422.359 2.828 0 50 HFAA COc1ccccc1CN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 19831983 DXHWXOWVCFRSHC-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA COc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)cc1Cn1cccn1 22913570 SSJCJCQZAPBCSP-NRFANRHFSA-N 400.567 2.855 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCc3ccccc3F)c2)CC1 23375312 KEFYBFXZWINWRX-JOCHJYFZSA-N 415.553 2.535 0 50 HFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 72434121 MBNBUZVITKBTLN-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1cccnc1 72437934 CDOQBNZAAPESSH-UHFFFAOYSA-N 417.531 2.514 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 77469808 MTJMTLQQKNPFES-SRYPRDQNSA-N 407.470 2.545 0 50 HFAA CC(C)(C)c1ccc([C@@H]2CNCCN2CC2=Nc3ccccc3S(=O)(=O)N2)cc1 2325862439 UITWHAPTEMBSRJ-IBGZPJMESA-N 412.559 2.953 0 50 HFAA COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC 778666 KEXNAAOBDYAFFS-UHFFFAOYSA-N 415.446 2.585 0 50 HFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 814009 YSTUCJUYFIXGGG-UHFFFAOYSA-N 414.483 2.796 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1F 833177 GDYCOKWSOUGUFA-QMJOVRGKSA-N 412.442 2.530 0 50 HFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 2999022 JBTUQPOLZPOSES-UHFFFAOYSA-N 420.462 2.652 0 50 HFAA COCCN(C(=O)CC[C@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C 12181654 DTKNGKYDCYTCLU-QFIPXVFZSA-N 406.523 2.559 0 50 HFAA O=C(NCc1ccc(F)cc1F)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12209055 CSMLDTLSFLITMS-KRWDZBQOSA-N 405.489 2.694 0 50 HFAA C/C=C(\C)C(=O)N1CCC([C@]2(CCC)NC(=O)N(CC[C@H]3CCCN3C)C2=O)CC1 14887757 KBZBNLOMBQQCIY-JQLJBTTISA-N 418.582 2.766 0 50 HFAA COCCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 15070796 LZMGSCNBOWGYPB-UHFFFAOYSA-N 401.467 2.736 0 50 HFAA O=C(N[C@@H]1CCCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67695009 LUANSYHHCURVMS-LJQANCHMSA-N 405.546 2.717 0 50 HFAA COC(=O)COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217905434 KGRKWUXBIXHFLF-AWEZNQCLSA-N 410.378 2.794 0 50 HFAA biogenic CC[C@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 225397419 OKQDFLUYYKRLBH-OAHLLOKOSA-N 422.894 2.838 0 50 HFAA C[C@@H]1[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)CCC[C@H]1C 241586471 OWEXVSSBRKJRAX-HHNICDRHSA-N 423.460 2.996 0 50 HFAA CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2CN2CCc3ccccc32)cc1 241644201 PPCWEIHRWDYWNC-SIKLNZKXSA-N 400.544 2.651 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 253431693 STGSMKLAKTWIFK-SUMWQHHRSA-N 403.276 2.916 0 50 HFAA COc1cc2c(cc1-c1nccn1CCS(=O)(=O)c1ccc(F)cc1)OCCO2 1857684666 XJNQPEGFVQWWNT-UHFFFAOYSA-N 418.446 2.943 0 50 HFAA O=C(N[C@@H]1CC[C@H](NC(=O)c2cccnc2O)C1)c1csc(-c2ccccc2)n1 1857697117 WBYNYGZNRAJTKO-LSDHHAIUSA-N 408.483 2.992 0 50 HFAA Cc1csc(CCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)C2SCCCS2)n1 1875345640 DRGOLHFNRQUFAV-ZIAGYGMSSA-N 413.634 2.981 0 50 HFAA COC[C@@H](O)Cc1cn([C@@H]2CCCN(C(=O)c3c(Cl)cccc3Cl)C2)nn1 1875358212 NGLWXHXWHZQNRJ-KGLIPLIRSA-N 413.305 2.612 0 50 HFAA CCc1ccccc1N1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082933777 GNVKSPMRJMBLLX-MRXNPFEDSA-N 410.495 2.554 0 50 HFAA O=C(N[C@H](CC(F)(F)F)C(=O)O)c1nn(-c2ccc(F)cc2)cc1Br 2325820587 FDNHTQGTOMVZSM-SNVBAGLBSA-N 424.148 2.909 0 50 HFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)C2)n1 2356143160 WVCNPUYDEMNWET-QGZVFWFLSA-N 400.548 2.800 0 50 HFAA CN(c1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 839974 ZELAQPDPALHABB-NRFANRHFSA-N 410.495 2.975 0 50 HFAA COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 855381 MURJOXCCBPOZLD-QGZVFWFLSA-N 403.276 2.922 0 50 HFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCc2nc3ccccc3n2C)c1=O 12098861 AMRQHSMOFMSVEL-UHFFFAOYSA-N 423.517 2.632 0 50 HFAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O 12207254 OPTQECLEVFDSNN-MBSDFSHPSA-N 416.518 2.520 0 50 HFAA COc1cc(C(=O)NCc2nc(C)cs2)ccc1OC1CCN(C(C)=O)CC1 12572795 KLFOCSAWGYZVSX-UHFFFAOYSA-N 403.504 2.780 0 50 HFAA O[C@H](COc1ccc(CNCCCn2cccn2)cc1)CN1CCc2ccccc2C1 12587134 QMBZHKJBOPABQY-DEOSSOPVSA-N 420.557 2.861 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C/C=C/c2ccccc2)CC1 19731249 ISSHSVQEYCGFRL-RMKNXTFCSA-N 403.482 2.530 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19854093 BONTYMJTVULWHX-UHFFFAOYSA-N 407.923 2.805 0 50 HFAA CNS(=O)(=O)c1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cc1 20607433 KFJWTQCOBDYTFN-UHFFFAOYSA-N 418.422 2.814 0 50 HFAA CN1CCN(CCc2nnc(S)n2-c2cccc(OCc3ccccc3)c2)CC1 22942913 UVLBXAWYCMNZFM-UHFFFAOYSA-N 409.559 2.925 0 50 HFAA COc1ccc(CCN(C)[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)cc1OC 23361114 VPBPJVQJUTXPIB-NRFANRHFSA-N 403.567 2.653 0 50 HFAA CN1C(=O)[C@](CC(=O)NCCc2cnccn2)(Cc2ccccc2)c2ccccc21 71761134 KVNSZTQHXVOWEH-DEOSSOPVSA-N 400.482 2.683 0 50 HFAA CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758539 IQEZHDATBVKAQC-HXUWFJFHSA-N 410.518 2.779 0 50 HFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cc(Cl)ccc4OC)C3)nn2)n1 169778099 NEGOLDKWXUCVNZ-LBPRGKRZSA-N 402.842 2.640 0 50 HFAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)C(=O)[C@H]21 239386653 PVRUUSQHGDWMAH-XPUYUFAOSA-N 404.466 2.924 0 50 HFAA CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 252536331 IEKOVMKHDPVVEZ-FZKQIMNGSA-N 405.458 2.848 0 50 HFAA CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1ccc(Oc2ccccc2)cc1 756944307 NCVCRDLKCGKATB-IBGZPJMESA-N 407.513 2.804 0 50 HFAA Cc1cc(C(=O)NC[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)ccc1F 827832006 WCNWODUJZSHALQ-INIZCTEOSA-N 403.523 2.954 0 50 HFAA Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H]1CCCN(Cc2cccc(O)c2)C1 828924903 DQIPLRYAAAHJCT-IBGZPJMESA-N 403.486 2.947 0 50 HFAA COCCCOCCC(=O)N1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O 952892175 FHCDWXMZFBCWIM-LJQANCHMSA-N 408.564 2.921 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)c3cn(CC[C@@H]4CCCCN4)nn3)cc2)CC1 952971687 KXTGNLJIOKIUPG-KRWDZBQOSA-N 412.538 2.536 0 50 HFAA COCCNc1nc2cc(C(=O)N(C)C[C@H]3Cc4ccccc4CN3C)ccc2n1C 1506413469 JIWWYDCBQTWNDR-HXUWFJFHSA-N 421.545 2.760 0 50 HFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)C1CCCCC1)[C@@H]2O 1772700967 KSQHXZIMBXUGHZ-FCHUYYIVSA-N 417.550 2.534 0 50 HFAA CCc1ccc(CN2C[C@@H]3CN(c4nc(C(=O)O)co4)C[C@]3(CCC(=O)O)C2)s1 1772807761 ABIGRMBTXNWZSN-XCLFUZPHSA-N 419.503 2.800 0 50 HFAA CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C(F)(F)F)c1)C2 1857684066 XXERLOGLFKFTAA-CIRFHOKZSA-N 409.452 2.766 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H]1Cn1cc(-c2cncs2)nn1 1875326276 FAZHQHYSSKTNCB-HNNXBMFYSA-N 411.487 2.724 0 50 HFAA N=c1[nH]c2cccc(C(=O)N3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)c2s1 2100536915 FKACIGGNZWYFNJ-OAQYLSRUSA-N 408.483 2.598 0 50 HFAA C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(-c2cnn(C)c2)c1 2325872826 OJYWTYDRBUOBEP-BHOULKKZSA-N 407.518 2.638 0 50 HFAA COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1156750 JBMQDWLMCUXGOE-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1156871 SGWPNQQAGSKEBI-UHFFFAOYSA-N 406.435 2.594 0 50 HFAA COc1cc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc(OC)c1OC 1160099 QPEIUBMZZVOJMH-UHFFFAOYSA-N 404.444 2.846 0 50 HFAA O=C1CC[C@@H](CN(Cc2ccccc2)C(=O)CC[C@@]2(Cc3ccco3)CCC(=O)N2)N1 11966459 LJPSIFSUMMRBIH-YADARESESA-N 423.513 2.559 0 50 HFAA COc1cc(-c2n[nH]cc2CN(C[C@@H]2CCC(=O)N2)C(C)C)cc(OC)c1OC 12302305 QPKNGHOKJQJEIE-INIZCTEOSA-N 402.495 2.592 0 50 HFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccccc3Cl)C[C@H]12 14748030 YOGTVENQIXGROD-LEWJYISDSA-N 422.916 2.575 0 50 HFAA CC(=O)NCc1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 14883842 DLIPQISZMXGLQM-UHFFFAOYSA-N 404.518 2.740 0 50 HFAA COC(=O)c1ccnc(-c2cc(C(=O)OC)cc(-c3cc(C(=O)OC)ccn3)n2)c1 35654095 YDXTYOYBYASPDS-UHFFFAOYSA-N 407.382 2.565 0 50 HFAA in-vitro Cc1nc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)CCC2 35775071 HENFVDLAKULAAN-UHFFFAOYSA-N 413.909 2.718 0 50 HFAA Cc1c(CN[C@H](CCn2cncn2)c2ccccc2)c2ccccc2n1CC(N)=O 55271596 DBXZZWXAHOFUQT-OAQYLSRUSA-N 402.502 2.948 0 50 HFAA O=C(C1CC1)N1CCC(N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)CC1 71755509 TYVMVFMTMDKNTD-HXUWFJFHSA-N 410.562 2.686 0 50 HFAA CCC[C@H](N)C(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2 77393220 TUSQDDHXNXWVRD-IBGZPJMESA-N 408.587 2.582 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)cc1 169757963 QBHLTKAITTZNIV-QFIPXVFZSA-N 419.481 2.621 0 50 HFAA O=C(O)CCCCCNC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 238937204 UEPCGBANSVRLRO-WKILWMFISA-N 415.490 2.670 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239135353 LCTXSWVICRZEPS-UQJCPLMDSA-N 421.493 2.799 0 50 HFAA CC(C)C[C@@H](NC(=O)CCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 252508960 XZNBNPNCSQYOGB-MRXNPFEDSA-N 420.473 2.633 0 50 HFAA COCCOCCOCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 328589999 UEDSDTZJHXGRBL-UHFFFAOYSA-N 405.822 2.780 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)o1 466544347 NOGYUJCJZBQARC-CYBMUJFWSA-N 402.394 2.686 0 50 HFAA O=C(N[C@@H](CC(=O)N1CCc2ncnc(O)c2C1)c1ccccc1)c1ccccc1 477260256 WDLPQMASPFWSJV-FQEVSTJZSA-N 402.454 2.628 0 50 HFAA CCCN1CCC(CCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)CC1 670455885 DEAHHTREMGKDLZ-UHFFFAOYSA-N 406.907 2.968 0 50 HFAA COCCN(C)CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857719801 UREANZJFANMGBD-FCHUYYIVSA-N 412.486 2.635 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)C)cc1-c1nc(-c2ccc3ncnc(O)c3c2)no1 2325736432 WYZBHIHJVIWUJL-UHFFFAOYSA-N 411.443 2.611 0 50 HFAA O=C(N[C@@H]1CN(C(=O)c2ccc3cccnn23)C[C@H]1O)c1ccc(C2=CCCC2)cc1 2325793917 LMCOCQVSSHFVKJ-IFMALSPDSA-N 416.481 2.517 0 50 HFAA COc1ccc(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)cc1 731758 MXOWQCQWQOQRPA-UHFFFAOYSA-N 402.476 2.986 0 50 HFAA COc1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)c1 969004 XOFOZFNMRWWDLJ-UHFFFAOYSA-N 410.499 2.894 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl 1051055 OLAQZRKFWNXJMW-UHFFFAOYSA-N 410.879 2.810 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2OC)cc1Cl 2877146 DKUFYWLBCREANJ-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA COc1ccc(CNCCc2scnc2C)cc1OC[C@@H](O)CN(C)C(C)C 11878484 SAFQHDSIQBNBOW-SFHVURJKSA-N 407.580 2.872 0 50 HFAA O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008835 DNRGHJVDHOSRFB-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C(=O)/C=C/c2cccs2)nn1 14991695 YGXSPFRHRHMUQD-ROJDOSBLSA-N 401.536 2.962 0 50 HFAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)ccc2c1 19110585 UVAPOBQJXCAWCM-OAQYLSRUSA-N 410.514 2.992 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3c(F)cccc3Cl)C[C@H]2C(=O)NC)CC1 22923609 BTIOHHGLUPZPOE-QRWLVFNGSA-N 410.965 2.632 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3ccccc3Cl)nn2)nc1 82230247 AHRVSELXOOUVPS-UHFFFAOYSA-N 418.910 2.967 0 50 HFAA COCCN1C[C@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)CCC1=O 95521140 WBZXPIOITNOLPG-FQEVSTJZSA-N 402.520 2.629 0 50 HFAA O=C(COc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764097 XNGOVCSAECHQOX-UHFFFAOYSA-N 418.856 2.911 0 50 HFAA COc1cccc2c1N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC[C@@H]2C 221863534 RCTKQZANLFFIKB-WMZOPIPTSA-N 420.575 2.967 0 50 HFAA CNC(=O)C[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 225475786 RNTKMMAJAYFNGI-GOSISDBHSA-N 408.458 2.671 0 50 HFAA Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 230156740 CZFOYYLZIKOPQH-PGRDOPGGSA-N 407.495 2.742 0 50 HFAA COCCn1c([C@@H](C)NC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 252492530 MONOESRXGAIOCL-IAGOWNOFSA-N 408.506 2.567 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1S(=O)(=O)NC(C)C 253372360 FAVYGRFALVFNGT-RSJGLCBASA-N 406.548 2.936 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)c3ncnn3C)csc2C1 426662083 IHUARCCCAKWAOY-LBPRGKRZSA-N 400.508 2.531 0 50 HFAA Cc1ccc([C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H](C)S(C)(=O)=O)cc1 436349279 CDKVQIZWALLTLF-JSGCOSHPSA-N 410.565 2.862 0 50 HFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NCc1cccnc1N1CCN(C)CC1 463812201 VJEUJNHVNCKELE-LJQANCHMSA-N 423.561 2.761 0 50 HFAA COc1cc(CN2CCc3sccc3C2)ccc1OCC(=O)N1CCOCC1 506688122 FHYXZGDEOXHWHR-UHFFFAOYSA-N 402.516 2.553 0 50 HFAA Cc1ccc(OCCNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(C)c1 770650720 OOEOENKNCRMUQI-UHFFFAOYSA-N 423.965 2.779 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704337805 FRGKBQGWNKEVIW-VWLOTQADSA-N 419.573 2.588 0 50 HFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857737820 FCSQMHGHBTUSQC-LGVFNWMJSA-N 414.465 2.991 0 50 HFAA O=C(O)[C@H]1COC[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1 1857783486 STAXZMVOKJMDQJ-NFBKMPQASA-N 409.438 2.880 0 50 HFAA COCc1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)o1 1875249690 PTJKBFTYQJHKQF-UHFFFAOYSA-N 412.486 2.850 0 50 HFAA Fc1cnccc1C1(CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)CCNCC1 1875326319 PVBWLFXMXOTENG-UHFFFAOYSA-N 404.493 2.717 0 50 HFAA CCn1ccc2cc(NC(=O)C(=O)N3CCN(C4Cc5ccccc5C4)CC3)ccc21 2325734255 JJTBUNDOWQVDQM-UHFFFAOYSA-N 416.525 2.911 0 50 HFAA COCC1=CCN(C(=O)C23CCC(C(=O)N4CC=C(COC)CC4)(CC2)CC3)CC1 2325750135 YAVOORHLHQHIPR-UHFFFAOYSA-N 416.562 2.937 0 50 HFAA O=C(Nc1cnn2cccnc12)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 2325818665 PTQCARLYYQHGGF-UHFFFAOYSA-N 419.894 2.810 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1cn(-c2ccccc2)nn1 2356152534 OHHCVBIFJXJMLF-QHCPKHFHSA-N 402.502 2.820 0 50 HFAA Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)c1 2838346 XWCYRCKPNCXOSI-LBPRGKRZSA-N 416.532 2.802 0 50 HFAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4857844 BTDIEWSUQDDHLB-UHFFFAOYSA-N 409.511 2.952 0 50 HFAA COc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCC=C3N3CCOCC3)C2=O)c(OC)c1 5015774 ZZNPFABBMANWPH-IRXDYDNUSA-N 400.475 2.600 0 50 HFAA Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cn(C)c5ccccc45)CC3)O2)n1 11784418 SNZNPNKQMILPFJ-IBGZPJMESA-N 421.545 2.855 0 50 HFAA C/C=C(\C)CN1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 12024247 MFXMSMAHIGEVND-BXRXLZFBSA-N 412.534 2.686 0 50 HFAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 12058600 WHBYJPYRFNPTBS-AWEZNQCLSA-N 400.976 2.714 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@H]2COCCO2)c1 12387087 MEMKTVRNLIXEEE-FQEVSTJZSA-N 418.534 2.626 0 50 HFAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCN(CCO)CC2)cc1 19879856 ANFADVVZWKNOQS-UHFFFAOYSA-N 403.530 2.874 0 50 HFAA CO[C@H]1CCCN(C(=O)C2CCN(C3CCN(Cc4cccc(C)n4)CC3)CC2)C1 43004973 OVYOHPHQZJLQRT-QHCPKHFHSA-N 414.594 2.704 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 64074496 SVIWNBCXNWNAGW-BMRADRMJSA-N 423.492 2.944 0 50 HFAA C[C@H](C(=O)NCCc1csc(NC(=O)[C@@H](C)C2CCOCC2)n1)C1CCOCC1 170615895 ABLHRZBITVNRMJ-GJZGRUSLSA-N 423.579 2.866 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1)c1cncs1 408520947 CLIIUOMFWQHTHD-UHFFFAOYSA-N 417.516 2.687 0 50 HFAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952892095 DWJINXMGUWVALB-UZLBHIALSA-N 403.498 2.875 0 50 HFAA O=C(N[C@@H]1CCCc2c1cnn2CCO)C1=Cc2ccccc2O[C@H]1C(F)(F)F 1466632766 PLXSLDCWCKTZAE-CRAIPNDOSA-N 407.392 2.776 0 50 HFAA Cc1ccncc1C(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3Cl)C[C@@H]2C1 1875322479 UYTSDOQMYIINBE-CABCVRRESA-N 401.898 2.699 0 50 HFAA O=C(c1cccc(CNc2ncnc3c2ncn3-c2ccccc2)c1)N1CCOCC1 2325776643 FUOLBJBQSQIRNS-UHFFFAOYSA-N 414.469 2.900 0 50 HFAA COC(=O)c1nc(N2CCN(c3nc4cccnc4s3)CC2)c2sccc2n1 2325863569 OJXMZJGQOQRQFD-UHFFFAOYSA-N 412.500 2.809 0 50 HFAA C[S@](=O)(=NS(=O)(=O)c1cc(F)ccc1Cl)C1CCN(C(=O)C2CC2)CC1 2332238890 PBXBKFZLYZMNRH-RUZDIDTESA-N 422.931 2.667 0 50 HFAA COc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 786765 PHJPNNNKDYCVRH-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 2872468 LMSWTXZSVFXGBV-HNNXBMFYSA-N 404.488 2.503 0 50 HFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cn1)OC2=O 6709005 PTOXQOBOBCQCCC-CABCVRRESA-N 400.216 2.747 0 50 HFAA CN(CCCN1CCCC1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 11819664 JQDAEBGNDZOWEG-UHFFFAOYSA-N 418.607 2.837 0 50 HFAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 11934512 JNCXEKZAEVBHOU-SFHVURJKSA-N 405.458 2.977 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCCN2CCCC2=O)C1 12835132 TWQRUYWEZYYVFB-HSZRJFAPSA-N 418.509 2.943 0 50 HFAA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2cnn(C)c2C)c1C 20604104 ROHZVFKHIQBDIC-UHFFFAOYSA-N 401.536 2.687 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)cc1 77424769 DBLGVWNIKQHXIJ-JCUDRXCFSA-N 420.513 2.521 0 50 HFAA COc1ccc(CN2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)c(F)c1 104390813 HDMSPDRLBKQKTH-GOSISDBHSA-N 402.466 2.632 0 50 HFAA CC(=O)Nc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 169749785 FARWBMYEDCEEQX-UHFFFAOYSA-N 405.458 2.539 0 50 HFAA CN(C)c1ncn(-c2cccc(NC(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)c2)n1 170609545 IGLKHTNBQNRUMO-KRWDZBQOSA-N 418.860 2.981 0 50 HFAA C[C@H](NC(=O)N(C)c1ccccc1S(=O)(=O)N(C)C)c1nc2ccccc2[nH]1 225459834 QXUTUWHSIJEDQQ-ZDUSSCGKSA-N 401.492 2.720 0 50 HFAA CC[C@](O)(C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1 241720933 QTLOXOWDQFFWPF-IAGOWNOFSA-N 419.831 2.628 0 50 HFAA CSc1ncc(CN2C[C@@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@@H]3C2)cn1 247522162 LTZXSAYWKWJJKZ-MSOLQXFVSA-N 402.495 2.975 0 50 HFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)NCc1cccnc1N1CCN(C)CC1 463812200 VJEUJNHVNCKELE-IBGZPJMESA-N 423.561 2.761 0 50 HFAA NC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1273050959 BAXYOJZLIJSCES-UHFFFAOYSA-N 418.327 2.987 0 50 HFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cc(OC)cc(OC)c1 1848444028 CXYIBAAYWCEYBP-ICSRJNTNSA-N 401.415 2.673 0 50 HFAA Cc1cnccc1CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857718044 LNRSSMHWXOSNCT-QGZVFWFLSA-N 407.499 2.502 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC2(CCC2)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1875331558 NGSWJWSNFYTCJT-HXUWFJFHSA-N 410.518 2.784 0 50 HFAA CC[C@@](C)(O)c1cn([C@H]2CC[C@@H](C(=O)NC3(C(=O)O)CCC(C)CC3)CC2)nn1 1875354092 QQQMJMSQSVWJOI-WHEVORFFSA-N 406.527 2.777 0 50 HFAA C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3cc([C@H]4CCNC4)[nH]n3)ccc21 2325860964 AGDFHDYTPPNSTE-QWRGUYRKSA-N 422.411 2.661 0 50 HFAA COC(=O)CCCCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(F)cc(F)c3[nH]2)C1 2325872242 OGMKWCXMDJPXNU-CQSZACIVSA-N 407.417 2.510 0 50 HFAA N=c1[nH]cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)s1 2356156579 IXKHWZQHQSIXPD-RYRKJORJSA-N 406.511 2.761 0 50 HFAA O=C(CSc1nnc(SCC(=O)NCc2ccco2)s1)NCc1ccco1 2334480 VFDWONIRTRBEDK-UHFFFAOYSA-N 424.529 2.541 0 50 HFAA CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1 2837105 IFYQEXRCEOTBCX-GFCCVEGCSA-N 416.532 2.976 0 50 HFAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3406465 MJTURETZONDEIR-UHFFFAOYSA-N 414.405 2.979 0 50 HFAA Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1Cc1ccccc1 4741660 PBWGBZZWBHEIEO-UHFFFAOYSA-N 418.497 2.720 0 50 HFAA CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 4762348 WXTRZLYMMMNVGE-PMACEKPBSA-N 411.502 2.684 0 50 HFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc(F)c2)c1=O 12037321 SZURWEKZUKWCCR-UHFFFAOYSA-N 421.472 2.910 0 50 HFAA CCN1CCN(C(=O)c2ccc(N3CCC(NCCCOC(C)C)CC3)cc2)CC1 12452570 AWTXGMXQPRKQKX-UHFFFAOYSA-N 416.610 2.838 0 50 HFAA Cc1nonc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12588092 BQVSSCBWJCBRJH-QFIPXVFZSA-N 424.545 2.879 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 14240141 DVYCBSIRKMGWAI-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA CSc1nnc(CCNC(=O)CSc2ccccn2)n1-c1ccc(F)cc1 14880772 FFVKWZSUYFXIBQ-UHFFFAOYSA-N 403.508 2.974 0 50 HFAA CN1CCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 19720966 NTLLZHJPZJRIJY-IBGZPJMESA-N 405.546 2.623 0 50 HFAA COc1cccc(N2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1 20274386 FPPZQTKXQYKCGI-IBGZPJMESA-N 417.868 2.942 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)N(C)Cc2ccccn2)[C@H](c2cccc(Cl)c2)N1C 55568637 USSRWAZXEGYWOR-FHWLQOOXSA-N 401.894 2.928 0 50 HFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 59741066 MGKAJPMDSMCLHJ-INIZCTEOSA-N 421.563 2.694 0 50 HFAA O=C(NCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)N2CCCC2)c1 65362066 MYBPXRRQDZTQPM-UHFFFAOYSA-N 418.500 2.513 0 50 HFAA O=C(c1ccc(O)cn1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72161198 KSBNTZZIPWRAEQ-SFHVURJKSA-N 400.910 2.867 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C 77337816 CWUINVXKTWFQLB-FUOQNJDISA-N 409.511 2.705 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@H]54)[C@H]23)cc1OC 245256169 OFNAHFMPUNUEAG-OVSZPRJNSA-N 418.449 2.878 0 50 HFAA CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1)C(C)C 245285440 XJKSSXVVNHXJKT-CLCXKQKWSA-N 409.552 2.737 0 50 HFAA Cc1nc([C@H](NC(=O)Nc2cc(-n3cnnn3)ccc2C)c2ccccc2F)no1 438035998 PSNOSECCWZDTCO-QGZVFWFLSA-N 408.397 2.712 0 50 HFAA Cc1noc(CN2CCC3(CCc4c3nc(C)[nH]c4=NCc3ccccc3)CC2)n1 1857685330 RRZJZFOMLATRDP-UHFFFAOYSA-N 404.518 2.990 0 50 HFAA CCc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 824497 IMCDZYJYMFGVLP-UHFFFAOYSA-N 402.516 2.612 0 50 HFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 1051510 KQOOJOMRSSSTEZ-UHFFFAOYSA-N 402.516 2.721 0 50 HFAA CCOC(=O)c1ccc(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 1184592 PABRPFWEOFNBHW-LBPRGKRZSA-N 412.726 2.982 0 50 HFAA COC(=O)CSc1nc2ccccc2c(=O)n1CCCn1cc(Cl)c(C)n1 2741265 XVGJXXPUASHRAV-UHFFFAOYSA-N 406.895 2.910 0 50 HFAA CC[C@H](C)CNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12 11786218 DMTHGMBNVSHWJI-AWEZNQCLSA-N 409.490 2.996 0 50 HFAA COC(=O)c1cc(CNC(=O)c2cnsn2)cc(NC(=O)c2ccccc2F)c1 12021125 IWIDRCWMFGVSKO-UHFFFAOYSA-N 414.418 2.646 0 50 HFAA O=C(CCC(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1)c1ccccc1 12072792 FWPNBFKTUZHAKT-SFHVURJKSA-N 424.501 2.685 0 50 HFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)Cc1cnc2ncnn2c1 12454889 CICKYALEJHFGNT-GOSISDBHSA-N 415.501 2.991 0 50 HFAA CCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OCC 13647694 DIRRSEWIZWTRIS-AQTBWJFISA-N 408.483 2.948 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)Cc2ccsc2)c1=O 14881522 WDLFCPHBNKMGFZ-MRXNPFEDSA-N 423.538 2.873 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCN2CCCCO2)C1 15065181 MGBGSWPDZBIVNC-QFIPXVFZSA-N 406.498 2.958 0 50 HFAA Cc1cccc(C)c1N1C(=O)[C@@H]2N=NN(CC(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O 18166079 UOZWAWODDXTRNP-SJLPKXTDSA-N 411.849 2.889 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(-n2cccn2)n1 67621906 WGWWBANALCXDHT-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA CN(Cc1cccnc1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82148020 MASFZVNZPPYGNH-QFIPXVFZSA-N 407.562 2.812 0 50 HFAA O=C(Nc1ccnc(C(=O)N2CCC(O)CC2)c1)c1ccc(Br)cc1 225617473 WSAKDGJHXJGXAO-UHFFFAOYSA-N 404.264 2.693 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)c1 229749753 VYZDKHNTTOUGJU-SNRMKQJTSA-N 422.547 2.663 0 50 HFAA CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H]2CCO[C@H]21 230274700 OBXCJLKRCAJXJI-KZNAEPCWSA-N 407.536 2.796 0 50 HFAA CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1)C(=O)O 238924118 RCISSNOGVFMDHK-MPGHIAIKSA-N 415.490 2.524 0 50 HFAA CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1cnn(-c3cccc(F)c3)c1)C(=O)C2 670456483 YSWXIUWUBHZHAY-FOIQADDNSA-N 405.495 2.826 0 50 HFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCN(c4ncnc(C)c4C)CC3)c2)n1 952967985 NONAFAZKHZDEGD-UHFFFAOYSA-N 404.518 2.917 0 50 HFAA O=C(Cn1c(SC2CCCCC2)nc2ccccc21)N1CC[C@@H](CO)[C@@H](O)C1 1616073558 QZYDEVODXVPGAH-KXBFYZLASA-N 403.548 2.663 0 50 HFAA CC[C@@H](CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)O)N1CCN(C)CC1 1704306571 OXORTYWVKNHDPP-AWEZNQCLSA-N 406.458 2.625 0 50 HFAA COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c(O)nc3ccccn3c2=O)cc1 2049512043 PVQFZGCQWLSMFO-GOSISDBHSA-N 419.437 2.840 0 50 HFAA O=C(C(=O)N1CCOC2(C1)C1CC3CC(C1)CC2C3)N1CCC(C(F)(F)F)CC1 2325827566 KFIVVLCPCAKYIM-UHFFFAOYSA-N 414.468 2.841 0 50 HFAA CO[C@H]1C[C@@H](CCNC(=O)c2cc3cccnc3[nH]2)N(C(=O)[C@@H]2CCC[C@H]2CF)C1 2325873020 VVNHGHXIWXXAGL-XWTMOSNGSA-N 416.497 2.685 0 50 HFAA Cn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2Cc2ccccc2)n(C)c1=O 629293 IPLRDHOSTLODLG-UHFFFAOYSA-N 410.474 2.913 0 50 HFAA biogenic COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC 941549 AWRRJSJEZMXRLK-UHFFFAOYSA-N 416.503 2.890 0 50 HFAA CN1C(=O)c2ccc(C(=O)Nc3ccccc3I)cc2C1=O 1136799 NLTKQQXFCPTFSA-UHFFFAOYSA-N 406.179 2.769 0 50 HFAA CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 1148234 HVOMIHCXKVEGAR-UHFFFAOYSA-N 419.522 2.503 0 50 HFAA COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2999850 PSSXUSHZJAWXQR-UHFFFAOYSA-N 416.543 2.763 0 50 HFAA Cc1ccc(CSCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 5015261 YOZGKABHSTWNNG-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA O=C(CCn1c(CO)nc2ccccc21)N[C@@H]1CCCN(CCc2ccccc2)C1 12316310 RZAMGTJVVYLRFC-HXUWFJFHSA-N 406.530 2.742 0 50 HFAA CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 13619332 BVIDHBPRRBKQKA-FQEVSTJZSA-N 423.513 2.884 0 50 HFAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1cccnc1 15071047 JFAFLBUOSRODLY-ZDUSSCGKSA-N 411.886 2.705 0 50 HFAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CC2)C1 17088035 KFDNOZHVOSYOMK-NSHDSACASA-N 408.520 2.831 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nncn4CC)CC3)C2=O)cc1 20595522 HWACEYURBBJMBL-LJQANCHMSA-N 411.506 2.598 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CN1Cc1cc(C)c(OC)cc1C 64093438 RBXUBFOCZDMEHN-UXHICEINSA-N 414.477 2.997 0 50 HFAA CN(C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCCC[C@@H]1O 65365571 DWSGHEPUCZLNOL-RTWAWAEBSA-N 416.543 2.883 0 50 HFAA Cc1cccc(CN2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 82099070 IQOZAZQSQJIFPJ-NRFANRHFSA-N 407.562 2.778 0 50 HFAA COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)C(F)(F)F)cc1 239165050 NJODFZJMBFAOBI-KBCNZALWSA-N 420.387 2.601 0 50 HFAA COc1ccccc1C(=O)NCCS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl 263639636 BGZHOZJVJIBWPG-UHFFFAOYSA-N 422.812 2.966 0 50 HFAA CSc1ccc2cc(CNCCCN3CCCC3=O)c(N3CCOCC3)nc2c1 299758986 MGHBBWOCUDKKHO-UHFFFAOYSA-N 414.575 2.895 0 50 HFAA Cn1cc(C(=O)NCC2CCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)cn1 446127676 SPGUQADWTSOXCY-UHFFFAOYSA-N 423.542 2.750 0 50 HFAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C[C@H](NC(N)=O)c1ccccc1 790206602 NOFCCEMMGGTBFI-BEFAXECRSA-N 410.474 2.962 0 50 HFAA COC[C@@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccc(OC)cc3)n2)CC1 952895349 ZYTHJVALYGAYQN-YLJYHZDGSA-N 415.534 2.744 0 50 HFAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc21 952983785 WCFWTKOEBIVUDQ-CYBMUJFWSA-N 412.471 2.576 0 50 HFAA O=C(CN1CCc2ccccc2C1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529167728 NBOQIOSBERZRQP-QPPBQGQZSA-N 401.510 2.655 0 50 HFAA O=C(O)c1cncc(-n2cc([C@H](CC3CCC3)NC(=O)c3cncc(F)c3)nn2)c1 1875324680 IQRUCAUEWPFIQU-KRWDZBQOSA-N 410.409 2.556 0 50 HFAA O=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)N[C@H](C(=O)O)[C@H](O)c1cccnc1 2325875834 CUGLMCVTUHJSPI-DLBZAZTESA-N 408.376 2.825 0 50 HFAA COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917496 AHLNROJYBLSYIK-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA NC(=O)C1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 1052923 WZUDGHYGJVBWNU-UHFFFAOYSA-N 417.512 2.938 0 50 HFAA CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2)C1CCSCC1 77288055 BWVCEANLIVAYOC-WEMPKCCASA-N 404.576 2.845 0 50 HFAA C[C@H](NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1cccs1 222106915 UIXUMROHZKUNHC-MEDUHNTESA-N 410.337 2.846 0 50 HFAA COc1ccc(-c2nn3ccn(CCOc4ccc(F)cc4)c(=O)c3c2CO)cc1 263615806 FHBWCDAQAUNOGC-UHFFFAOYSA-N 409.417 2.882 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)cs1 823836852 MAUFHQGHINBKBM-INIZCTEOSA-N 408.545 2.786 0 50 HFAA CC(C)c1noc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)n1 952969022 GWPUJZIPUPXLRX-UHFFFAOYSA-N 404.492 2.646 0 50 HFAA CCc1cc(N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)nc(N2CCOCC2)n1 1704302651 AUPFPSZATIQJEM-GOSISDBHSA-N 404.536 2.842 0 50 HFAA Cc1ccc2nc(C)c(C(=O)N3CC[C@H]4[C@@H]3CC(=O)N4[C@H]3CC[C@H](O)CC3)cc2c1 1857683928 RMDZMWXSHVWPRT-GPHNJDIKSA-N 407.514 2.971 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(F)ccc2C)C1 1857691249 BTTBHOWGHFYGCW-JCTONOIOSA-N 417.569 2.963 0 50 HFAA CCCC[C@@H]1CN(S(=O)(=O)c2cc(CC(=O)O)ccc2OC)C[C@H](C2CC2)O1 1875248122 ZUHBEQJVPJJJTP-SJLPKXTDSA-N 411.520 2.681 0 50 HFAA CCOC(=O)[C@@H]1C(=O)N(C(=O)c2cncc(Br)c2)C[C@@H]1c1ccccc1 849701 XGAWPSQQLXFFLT-CVEARBPZSA-N 417.259 2.790 0 50 HFAA NC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 947143 ZUVTVJUOHLGODF-HXUWFJFHSA-N 413.433 2.632 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 6839801 FEONODLKAWSQOP-UHFFFAOYSA-N 422.572 2.615 0 50 HFAA Cc1nnc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)s1 8656665 NXYFMJNYIYAPGN-UHFFFAOYSA-N 414.560 2.544 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NC[C@H](C)Oc2cccnc2)o1 11844157 FCSOBAZLTPDPRE-INIZCTEOSA-N 410.474 2.775 0 50 HFAA CN(CC[C@@H]1CCCCO1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F 12305339 AFYZSSMQHRIWGG-SFHVURJKSA-N 409.527 2.865 0 50 HFAA CCOC(=O)c1c(NC(=O)CSc2nc(OC)cc(=O)[nH]2)sc2c1CCCC2 12413870 XKPZZUXSILNHDB-UHFFFAOYSA-N 423.516 2.626 0 50 HFAA Cc1nc[nH]c1CN1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 14530862 NLZNXJQSXXSTPB-UHFFFAOYSA-N 409.534 2.968 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1 14540729 LLMMRHOSPMRYQX-LZLYRXPVSA-N 413.484 2.910 0 50 HFAA CC[C@@H](C)Nc1cc(C(=O)NCC(=O)OC)cc(S(=O)(=O)Nc2ccccc2)c1 14747241 OCCQELGFNKEGJG-CQSZACIVSA-N 419.503 2.601 0 50 HFAA Cc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1S(=O)(=O)N1CCOCC1 16647735 FVUDHOGVBPCVNA-UHFFFAOYSA-N 416.547 2.853 0 50 HFAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@H]1CO 20455443 JCJIXBDUCYPCCW-DEOSSOPVSA-N 413.606 2.779 0 50 HFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1 20599169 RQJLKORDBQSUTN-FQEVSTJZSA-N 403.473 2.992 0 50 HFAA O=C(NCc1ccncn1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 23340193 SKKASTFKIYRMHC-UHFFFAOYSA-N 421.589 2.902 0 50 HFAA COC[C@@H](C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc21 77471038 BDJOWAPWHTUSRX-QGZVFWFLSA-N 410.522 2.899 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)CC1 104381272 NEVJDVLLWJDNGQ-LJQANCHMSA-N 406.640 2.763 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC3CCCCCC3)C2=O)cc1 206251489 LOZWCWLTWHPPTO-LJQANCHMSA-N 401.507 2.777 0 50 HFAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 409414641 NREVKUIIHIEKKD-HXUWFJFHSA-N 420.469 2.740 0 50 HFAA O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCO[C@@H](c2ncon2)C1 474210907 ZKZIEHWWUBSRMF-MRXNPFEDSA-N 408.443 2.593 0 50 HFAA O=C(c1cnnc(O)c1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952891594 ALXDNLDTVKRFCV-QGZVFWFLSA-N 423.326 2.718 0 50 HFAA C[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O 1772770214 RFGRNBWAUZSMBN-LBPRGKRZSA-N 401.825 2.803 0 50 HFAA CCc1ccc(CN2C[C@H]3CN(S(=O)(=O)CC4CCCC4)C[C@]3(CO)C2)s1 1772816514 OSMPHDYPLFQVFQ-PXNSSMCTSA-N 412.621 2.557 0 50 HFAA O=C(O)[C@@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)CC12CCOCC2 1857690734 QQKUHERHTVZDKF-NRFANRHFSA-N 402.535 2.865 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(C(C)C)no2)C1 1857691638 TWPDWFBGKZOBFJ-SELNLUPBSA-N 418.582 2.627 0 50 HFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857717366 MQOPPVLOMSGOMC-LVCYWYKZSA-N 414.889 2.942 0 50 HFAA COC(=O)[C@H](CCSC)NC(=O)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 1875305838 JRJRIYBIURHBGA-GJZGRUSLSA-N 402.557 2.967 0 50 HFAA COc1ccc([C@H]2[C@@H](C(=O)NS(C)(=O)=O)CCC(=O)N2c2ccc(C)cc2)cc1 1875391083 KAYZLWBIUKCEQQ-ICSRJNTNSA-N 416.499 2.564 0 50 HFAA COC(=O)c1ccncc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1F 2325853425 PETGYCLYLHAROC-SECBINFHSA-N 417.256 2.809 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1 1211615 AHWFBTSEVIIENE-UHFFFAOYSA-N 405.454 2.938 0 50 HFAA Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 4058340 QUCYHZWVKSQITJ-UHFFFAOYSA-N 407.543 2.847 0 50 HFAA COc1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCC(N)=O 4623410 FOQCHRNHWWQWNL-UHFFFAOYSA-N 419.934 2.710 0 50 HFAA COC(=O)c1c(OCCc2ccccc2F)cc(=O)n2c1CCN(CC(C)C)CC2 11909185 FDJKFPSPTFNCBW-UHFFFAOYSA-N 416.493 2.910 0 50 HFAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 14535700 RFNFGOOLGPGANW-UHFFFAOYSA-N 402.398 2.667 0 50 HFAA C[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccccc1 14980605 SDODOEDWXFOEGZ-MRXNPFEDSA-N 402.516 2.980 0 50 HFAA COc1ccc(-c2n[nH]cc2CN2CC(=O)N(Cc3ccccc3)C[C@H](OC)C2)cc1 19112923 WHVACNBVANWICN-JOCHJYFZSA-N 420.513 2.945 0 50 HFAA COCCn1c(CN2CCCC[C@@H]2c2ccccn2)cnc1S(=O)(=O)CC1CC1 55283372 QIGZMUZFSXNCGT-HXUWFJFHSA-N 418.563 2.835 0 50 HFAA O=C(NCCN1CCOCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 67621332 JSBYGYXAFBJPQN-UHFFFAOYSA-N 400.350 2.654 0 50 HFAA CC(C)NC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 95512568 JCWUEQCILDNLFP-OAQYLSRUSA-N 400.567 2.987 0 50 HFAA CCCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](CC)C(=O)OCC 170612010 YJTXCSHVLTURTR-FQEVSTJZSA-N 417.550 2.593 0 50 HFAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 239439170 ZNJMMAHBSBVGRR-MSOLQXFVSA-N 405.564 2.922 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2CCN3CCC[C@H]3C2)n1Cc1ccccc1 244873310 WNXFWIOTMREVQQ-FQEVSTJZSA-N 416.591 2.641 0 50 HFAA CCN1C[C@H](CN(C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 252444137 AYHQAPLXCHAOCK-HYFFOGBASA-N 400.523 2.664 0 50 HFAA C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)OC(C)(C)C)C1 390832782 OBZGPRAZJGLWRD-IUSZMWJPSA-N 405.495 2.551 0 50 HFAA O=C1C[C@@H](C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)CN1Cc1ccccn1 952873088 UHAVCFGEEYFVIY-HXUWFJFHSA-N 416.481 2.760 0 50 HFAA CC(C)c1nc(CN2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@]3(CO)C2)co1 1772807176 QGJLGJJNQCOKLX-SCLBCKFNSA-N 411.428 2.538 0 50 HFAA CCCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3nnc(CC)s3)C2)cc1 1857734161 LZRKKULOJLYXGA-HNNXBMFYSA-N 402.520 2.601 0 50 HFAA CC(C)C[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)c3cccc(Cl)c3)CC(=O)N21 1857741444 SROQEMDUZMAKEO-FHWLQOOXSA-N 419.953 2.952 0 50 HFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)C3CC3)C[C@@H]21 1875240742 YPBKAGCDZLEZKO-ZWKOTPCHSA-N 422.481 2.960 0 50 HFAA O=C1CN(Cc2occc2C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CCN1 1875256451 HGVHGRMOLMBMAV-NRFANRHFSA-N 417.456 2.914 0 50 HFAA C[C@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)S(=O)(=O)C1CCOCC1 1875262728 CEJRLLLRSHEYHI-CYBMUJFWSA-N 421.544 2.539 0 50 HFAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(COc2cccc(Br)c2)o1 2325732141 DPSGLHVVGBWEAI-LBPRGKRZSA-N 412.261 2.662 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3n[nH]c4c3CCCC4)C1)CC2 2356157088 DNZYTCJWAYMMAK-HSZRJFAPSA-N 408.550 2.584 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2)CC1 6702921 QXFDLRAACZARTA-UHFFFAOYSA-N 411.458 2.618 0 50 HFAA CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 7881111 WQIWZQCFQLSROE-UHFFFAOYSA-N 401.488 2.990 0 50 HFAA COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC2 8816163 FSRLVJOHPCYPMP-UHFFFAOYSA-N 416.499 2.578 0 50 HFAA COCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1 11786696 LCOKRRABYDCQFI-FQEVSTJZSA-N 413.518 2.998 0 50 HFAA CCn1ccnc1CN1CCC(Oc2ccc(C(=O)NCCOC)cc2Cl)CC1 11819226 VOFPRBJHOHHQDY-UHFFFAOYSA-N 420.941 2.976 0 50 HFAA Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)n1 11909177 LMXWVHQAXPOKGX-UHFFFAOYSA-N 408.424 2.862 0 50 HFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 11937865 MFXLFYYQPPKMFJ-UHFFFAOYSA-N 421.589 2.820 0 50 HFAA COC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NCc2cccnc2)CC1 12307958 ISRKEWJPOAKLCJ-UHFFFAOYSA-N 409.486 2.817 0 50 HFAA O=S(=O)(c1cccc2nsnc12)N1CCC[C@@](CO)(Cc2ccccc2)C1 12594871 PSCUYYIZKZSKGI-LJQANCHMSA-N 403.529 2.697 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2coc3c2C(=O)CCC3)CC1 12716756 VFQYHNDMJKIGPU-GOSISDBHSA-N 418.534 2.778 0 50 HFAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)c3cnsn3)CC2)c1 14979914 XFVWMWQEXLRAOB-UHFFFAOYSA-N 423.498 2.547 0 50 HFAA Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)s1 19836805 XGIHJVPAIVBTAW-UHFFFAOYSA-N 401.580 2.945 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)CC1 20600025 QXOZWPLWSWGTOT-QGZVFWFLSA-N 403.552 2.672 0 50 HFAA CCc1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)[nH]1 55255340 GCIHNWYLRCFDIW-HXUWFJFHSA-N 400.567 2.975 0 50 HFAA CSc1cccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 65364289 MQSPSGOOQSKLRL-UHFFFAOYSA-N 419.572 2.523 0 50 HFAA N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 113496192 CVWZIGOXWLVKHP-HXUWFJFHSA-N 403.486 2.840 0 50 HFAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccccc4)ccn3n2)c(C)c1 169775725 AFKZELHEHQWFKP-UHFFFAOYSA-N 416.481 2.975 0 50 HFAA Cn1c(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)nc2cccc(Cl)c21 170596838 MTLOXYJJKNIWBG-UHFFFAOYSA-N 403.851 2.530 0 50 HFAA Cc1ccccc1-n1ccnc1SCC(=O)N1CCCN(CC(C)(C)O)CC1 170602441 QIHWEYXJPCWMJZ-UHFFFAOYSA-N 402.564 2.578 0 50 HFAA COc1ccc(N2C(=O)[C@@H](CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)N=C2O)cc1 252478924 AXJMSSUUSSSWEE-SCLBCKFNSA-N 421.457 2.858 0 50 HFAA COc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1OC 263618220 RUABRCDRIWSFIH-SFHVURJKSA-N 412.421 2.636 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)cc1Cl 519255692 BLUJDUDRKAPZNW-UHFFFAOYSA-N 407.319 2.778 0 50 HFAA Cn1c(CNc2nccc(N3CCC[C@H](O)C3)n2)nc2cc(C(F)(F)F)ccc21 1704358271 HXSUYUGMCYBCSU-ZDUSSCGKSA-N 406.412 2.955 0 50 HFAA Cc1oc(C(=O)NC(C)(C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 1857528179 VHUDKCCTVCGCBI-UHFFFAOYSA-N 416.503 2.914 0 50 HFAA O=C(c1ccc(-n2cccn2)cc1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857684164 BFWFHAHEHCRMMF-QHCPKHFHSA-N 402.454 2.762 0 50 HFAA Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(C(=O)CCc3ccccc3)C[C@]23CC[C@H]1O3 1857735976 XINVDGSYQXSMIM-UECWXEIQSA-N 408.498 2.957 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc3nnc([C@H]4CCCO4)n3n2)C1 2325728898 BHJFDAQFYBWFJP-HZPDHXFCSA-N 411.441 2.515 0 50 HFAA CC[C@@H](C)CC(=O)N1CCC[S@](=O)(=NC(=O)c2nn(C)c3c2CCCC3)CC1 2332238392 QERAGXQJSKFXHF-WQIZZMQYSA-N 408.568 2.576 0 50 HFAA O=C(CCCn1cncn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356142364 PFUJBKHUTADQBQ-MLNNCEHLSA-N 421.545 2.529 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNC3CCCCC3)c2)CC1 11662897 XKTCQFUAMQDKMH-NRFANRHFSA-N 404.551 2.734 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(CCc4ccccc4)C3)cc2)CC1 12449443 ASKRDMROASVETA-QHCPKHFHSA-N 406.574 2.875 0 50 HFAA CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cs1 14968471 UVAUOROXPGOOAX-INIZCTEOSA-N 402.520 2.959 0 50 HFAA O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCc2ccccc2C1 15339189 UWTWWCDYIBIPJP-UHFFFAOYSA-N 420.918 2.559 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccno2)n1CCc1ccccc1 19757958 YRGOHEAAHCTNLW-UHFFFAOYSA-N 402.520 2.928 0 50 HFAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N(C)C[C@@H](C)O)nc2c1=O 72474539 VRUJAEDWTKXHRJ-CQSZACIVSA-N 412.490 2.792 0 50 HFAA Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1C 245230585 UXEPKKWDHVLPEV-VNTRCMCTSA-N 422.275 2.745 0 50 HFAA CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccccc3Cl)[C@@H]2C1=O 249692698 MWJBSBULFXAXKK-WJFTUGDTSA-N 407.857 2.917 0 50 HFAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccnc(OCC(F)(F)F)c1 488582902 YDZJQQXKYMABQC-ZDUSSCGKSA-N 402.417 2.740 0 50 HFAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 498331842 HQHVUPGPWWLZFF-HKUYNNGSSA-N 419.481 2.749 0 50 HFAA COCCCCS(=O)(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 952886884 DHKFOXOGPQKQST-IBGZPJMESA-N 407.536 2.619 0 50 HFAA COC(=O)c1ncc(Br)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1857529933 WKAWMDSAKXSGPV-UHFFFAOYSA-N 400.273 2.688 0 50 HFAA CCOCCn1nc([C@H](C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857667340 AMXISJHUVSFFNP-AWEZNQCLSA-N 400.483 2.597 0 50 HFAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCC[C@@H](NC(=O)c2cscn2)C1 1857686644 APUHJYPHAZWJOR-HUUCEWRRSA-N 401.488 2.662 0 50 HFAA Cn1ccc2c1CN(C(=O)c1ccc(C(=O)N3CCc4ccn(C)c4C3)cc1)CC2 2325740731 HEBLEMZMVJVMND-UHFFFAOYSA-N 402.498 2.761 0 50 HFAA CCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1C(N)=O 2781647 FMZSSEWPNWPDHB-UHFFFAOYSA-N 418.807 2.777 0 50 HFAA CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(=O)O 4557935 FGKCCRFENDUNDY-UHFFFAOYSA-N 402.472 2.836 0 50 HFAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 5558903 QJDZWJJFMVOUKR-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 6267595 IVFLTOSIHDAZJY-UHFFFAOYSA-N 419.322 2.688 0 50 HFAA COc1ccc(OCC(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1 6810225 FDAPUEHNVOHTBQ-HNNXBMFYSA-N 409.529 2.660 0 50 HFAA O=C1CC[C@H](CCNCc2cccnc2)N1CC1(N2CCOCC2)CCCCC1 12218871 LUUBGNNRSMHBDG-OAQYLSRUSA-N 400.567 2.587 0 50 HFAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(OC)c1 15004381 LCPAIAKKVOMCJJ-SFHVURJKSA-N 413.522 2.805 0 50 HFAA COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)c(F)c1 20540535 ADTOZRAIIHACHQ-SFHVURJKSA-N 412.509 2.790 0 50 HFAA CC(C)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn12 20745282 HSQYPKQEAVBCHC-LJQANCHMSA-N 413.503 2.532 0 50 HFAA CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55228433 UFONWIKMRYPYEX-HXUWFJFHSA-N 417.912 2.871 0 50 HFAA CN(Cc1ncc[nH]1)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71774980 BVGIWVBQLFNUON-KRWDZBQOSA-N 422.533 2.890 0 50 HFAA COCC1(NC(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CCCC1 82096712 XBIKDXICJMCTDO-NRFANRHFSA-N 414.594 2.833 0 50 HFAA COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccs1 247889826 SUTNMNSFISDCJM-FRYIKTPZSA-N 422.506 2.853 0 50 HFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N[C@H](CO)Cc2ccccc2)CC1 253394502 ADGCGQMXNJKKBS-ACRUOGEOSA-N 419.525 2.923 0 50 HFAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc(-c2ccccc2)cs1 334161168 VKSRKOKPPKTRES-MRXNPFEDSA-N 424.482 2.573 0 50 HFAA CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C(C)C)CC1 498358601 GBTJLKQVPNVZDK-NRFANRHFSA-N 421.607 2.885 0 50 HFAA O=C(CN1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1)NCC(F)F 952894601 SBODVGZHXLHXFZ-INIZCTEOSA-N 422.329 2.763 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cnc(C)c(C(=O)OC)c2)(c2ccccc2)CC1 1457412505 JIHAEFBMBJLIHK-UHFFFAOYSA-N 407.470 2.862 0 50 HFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)CC2 1857666835 QZTHDJGPFGOWGM-FQEVSTJZSA-N 400.482 2.889 0 50 HFAA Cc1ccc(C)c(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 1857719241 HKIAEOMWKZKPAV-UHFFFAOYSA-N 422.529 2.756 0 50 HFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3nc(C)n4c3CCCC4)CC2)c1 1875261174 APJMQCPFFJJETC-SFHVURJKSA-N 424.545 2.897 0 50 HFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2ccc3c(c2)CCCO3)CCCCN1 2100533286 IUCVRTNNZCUDLC-OAQYLSRUSA-N 413.562 2.999 0 50 HFAA CC(C)c1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 887012 BIGFRZWTCKDRSS-UHFFFAOYSA-N 415.559 2.925 0 50 HFAA CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 3015843 IDMRLUGGGMSYES-UHFFFAOYSA-N 419.460 2.798 0 50 HFAA O=C(CCc1ccccc1)NC(=S)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5078171 ZRAZYBRGSLSOPP-UHFFFAOYSA-N 417.556 2.917 0 50 HFAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 6703242 DTNQPWALDLNDKW-UHFFFAOYSA-N 419.485 2.536 0 50 HFAA O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 11699887 AIWJHFPFIOPOSW-LJQANCHMSA-N 401.526 2.597 0 50 HFAA COc1cccc(CN2C[C@@H](C(=O)NCCOc3ccccc3F)CCC2=O)c1 11816285 SWZRVJJAMKTTMM-KRWDZBQOSA-N 400.450 2.768 0 50 HFAA COc1ccc(F)c(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 11980707 KRFHEKIJFJSOKP-ICSRJNTNSA-N 406.498 2.643 0 50 HFAA C[C@H](NC(=O)c1ccccc1F)c1nnc(S[C@H](C)C(=O)NC(C)(C)C)n1C 12383980 GMCQIHWGPLSJIU-NWDGAFQWSA-N 407.515 2.841 0 50 HFAA COCCCn1c(CN2CCC[C@@H]2c2ccccc2OC)cnc1S(C)(=O)=O 12434256 CJBSBIWARUXZAK-GOSISDBHSA-N 407.536 2.669 0 50 HFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC(C)(C)C)CC2 14535920 XENHSVQZXBOYMR-UHFFFAOYSA-N 402.539 2.763 0 50 HFAA O=C1[C@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1cccc(Br)c1 138550774 SPVYZUWIFMKNMM-RCCFBDPRSA-N 412.287 2.985 0 50 HFAA OC[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C[C@@H]1CO 216437351 KTZSFAZKVTVCFZ-HUUCEWRRSA-N 420.391 2.854 0 50 HFAA CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 299759784 NJSVMMVPIJUSBV-QAPCUYQASA-N 405.445 2.543 0 50 HFAA COCc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2ccco2)n1 299775263 JHVOSCGLOAUXKY-UHFFFAOYSA-N 418.457 2.826 0 50 HFAA COCc1nc(-c2ccc(NC(=O)[C@H](C)n3cnc4ccccc4c3=O)cc2)n[nH]1 334162779 ZGHVTKWCRRIMOG-ZDUSSCGKSA-N 404.430 2.528 0 50 HFAA C[C@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)c2)NC(=O)NC1=O 481411520 XTMOGMXQODDJLS-JOCHJYFZSA-N 406.417 2.560 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 951723432 DQWYZDCIPKVWJH-FQEVSTJZSA-N 417.469 2.959 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 1506426856 VOJNHRIKAUCQKH-HNNXBMFYSA-N 411.549 2.633 0 50 HFAA CCc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)NC(C)C)C[C@@]2(CCC(=O)O)C1 1772808621 WISZHIGWIIWQQF-VGOFRKELSA-N 401.507 2.606 0 50 HFAA CCc1ncc(S(=O)(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(Cc2ccccc2Cl)C3)[nH]1 1857688437 JPLAIPMAUBOVAN-QWHZDKJVSA-N 408.955 2.814 0 50 HFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696892 PRNXTMBHTMIBNO-QHCPKHFHSA-N 416.485 2.576 0 50 HFAA Cn1cccc1-c1cc(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)n[nH]1 1857735815 UJTMWSWSQCXCAN-UHFFFAOYSA-N 418.501 2.908 0 50 HFAA CC[C@H](C)CC(=O)N1CCC[S@](=O)(=NC(=O)c2nn(C)c3c2CCCC3)CC1 2332238391 QERAGXQJSKFXHF-OHZJNBGDSA-N 408.568 2.576 0 50 HFAA Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1 669341 XSGDZKYDEPMTES-UHFFFAOYSA-N 402.398 2.964 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 831315 JKKMBTRCIVULLL-MTGKDYNDSA-N 404.491 2.717 0 50 HFAA COc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1Cl 1149881 RMIOZNCDTBNECA-UHFFFAOYSA-N 419.850 2.784 0 50 HFAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 1150267 SDLDBCWVKVZKJV-KRWDZBQOSA-N 408.907 2.831 0 50 HFAA COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCCc3ccccc32)c1OC 1473376 ARYIBNXAHUGVGT-MDZDMXLPSA-N 403.456 2.943 0 50 HFAA COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1OC 2072035 HHLRBXRQILAWAS-UHFFFAOYSA-N 406.504 2.671 0 50 HFAA CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccco2)CC1 2861680 JSXFDLRDNRGJRU-UHFFFAOYSA-N 400.504 2.711 0 50 HFAA c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1OCCO2 4262171 ZWXZOHRNCJWKKP-UHFFFAOYSA-N 404.459 2.965 0 50 HFAA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1 4725610 ABHCWZDGZABXRC-WOJGMQOQSA-N 400.394 2.819 0 50 HFAA CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 6490163 ILTWEKZMISJMBQ-YCUKKYJWSA-N 402.495 2.651 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC(NC(C)(C)C)CC3)cc2)CC1 14887808 XYBIZKAUCIBKSF-UHFFFAOYSA-N 416.566 2.958 0 50 HFAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCN(c4ccccn4)C3)CCC2=O)c1 15071248 DZRPUYWGCGJFNO-OAQYLSRUSA-N 406.530 2.868 0 50 HFAA COc1ccccc1C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 19789995 JVWUQMIEZOTMIL-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(Cc2ccccc2)CC1 20664535 RYCCOLAXCLLKQZ-UHFFFAOYSA-N 408.527 2.593 0 50 HFAA COc1ccc2nc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)sc2c1 34865705 YFHZNJBODSYVNJ-DVOMOZLQSA-N 406.533 2.969 0 50 HFAA biogenic COc1ccc(CCc2nc(NC(=O)c3n[nH]c4c3CCCCC4)n[nH]2)cc1OC 170625118 KRVWJDAUJHBPJJ-UHFFFAOYSA-N 410.478 2.851 0 50 HFAA CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 225416019 ZXXPBHIZOCGVLI-AEFFLSMTSA-N 408.502 2.885 0 50 HFAA biogenic CCc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n2ncnc2n1 301471854 UBCCDMUDVVMNTE-OAHLLOKOSA-N 402.405 2.896 0 50 HFAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)nc1 462632799 SNNNVAWCUARIKL-MRXNPFEDSA-N 403.504 2.915 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(C)cccc2OC)cc1OC 1529144304 WVKOBUUXPTXFEW-TZIWHRDSSA-N 401.459 2.595 0 50 HFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)no1 1704332106 OTYXMQXXGWFZRK-HXUWFJFHSA-N 413.913 2.889 0 50 HFAA Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@]3(Cc2ccccc2)C(=O)NC2CCC2)n1 1704337429 XQMOZAITDBOZPZ-WWEVIYMKSA-N 404.514 2.939 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H]1c1cnn(C)c1 1857719835 WSHGQTHPEUCCDR-OALUTQOASA-N 401.898 2.699 0 50 HFAA CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3cc(C4CCC4)nn3)cc2)(C(=O)O)C1(C)C 1875354473 XABVXWYYNMHVCR-XMSQKQJNSA-N 412.490 2.923 0 50 HFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnsn1 11947355 LOZVEKPLYJRKJR-MRXNPFEDSA-N 405.543 2.593 0 50 HFAA CCC[C@]1(C2CCN(C(=O)C(=O)[C@H](C)CC)CC2)NC(=O)N(Cc2ccco2)C1=O 11968860 WFBFFSAIHPQIIJ-IVZQSRNASA-N 417.506 2.724 0 50 HFAA CC(=O)NCCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12386415 DKKGYJXVZKJHHC-IBGZPJMESA-N 407.514 2.848 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCN2CCCC2=O)C1 12595285 WQQRGMGSVBQIQV-QFIPXVFZSA-N 404.482 2.553 0 50 HFAA O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCN(c2ccncc2)CC1 12714768 BYADOMLJFBNEIL-UHFFFAOYSA-N 405.502 2.921 0 50 HFAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)cc1C 14749821 AQXFQRVDPWREIG-XZOQPEGZSA-N 416.525 2.539 0 50 HFAA Cc1occc1C(=O)N1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 14880582 LYTDEBFDQZRVPT-DEOSSOPVSA-N 421.497 2.918 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)NCCn3ccnc3C)nc(C)c2c1 14989325 YFFFDMNMYRSOOT-HXUWFJFHSA-N 408.506 2.627 0 50 HFAA COC[C@@H]1CCN(C(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)C1 67921634 SPZYGYFPHYQIGR-LJQANCHMSA-N 415.578 2.733 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 82230321 GYYUNHZIOPOJRJ-UHFFFAOYSA-N 410.478 2.550 0 50 HFAA C[C@@H](CO)N1CCN(S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 170591774 SDYQDJXNLJILGK-LBPRGKRZSA-N 403.331 2.834 0 50 HFAA CSC1=NC2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@](O)(C(=O)O)N2N1 205919369 YHORAYAHSPBGBY-CLCXKQKWSA-N 416.890 2.847 0 50 HFAA COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C(=O)OC)c1C 229969067 WDISHEQPWKDDNP-QWHCGFSZSA-N 415.533 2.973 0 50 HFAA Cn1ccnc1[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 253401452 FPNLXMIVSFGFBY-AZUAARDMSA-N 417.469 2.531 0 50 HFAA O=C(N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)C1(c2ccccc2)CC1 263619525 ZCAVCANOCANWPY-UHFFFAOYSA-N 401.514 2.989 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)c3ccccc3n2)cc1 426518181 CIXOTECKZLQETG-INIZCTEOSA-N 409.511 2.961 0 50 HFAA O=C(O)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c2ccccc21 742030335 XWCKWNTYYZWJEI-CQSZACIVSA-N 400.456 2.729 0 50 HFAA COCCCn1cnnc1CNS(=O)(=O)c1sc2ccc(Cl)cc2c1C 824396929 UPYKDABZJCSXSV-UHFFFAOYSA-N 414.940 2.970 0 50 HFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857683115 CMICGPBFOWPFHF-QHCPKHFHSA-N 402.454 2.762 0 50 HFAA O=C(O)[C@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)CC12CCOCC2 1857690735 QQKUHERHTVZDKF-OAQYLSRUSA-N 402.535 2.865 0 50 HFAA CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 882254 BRATWIAGEUUOTN-HOTGVXAUSA-N 418.490 2.926 0 50 HFAA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3OC)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 913056 LGAGAQGJDZRIPH-FCEWJHQRSA-N 424.375 2.808 0 50 HFAA CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Br)cc1 1064418 OQQDPTRHISUGHN-UHFFFAOYSA-N 409.265 2.715 0 50 HFAA O=C(CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccccc1 1111756 ZSLHHQIGZKSRMB-UHFFFAOYSA-N 400.434 2.969 0 50 HFAA COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 1130676 LKISWYXIEMAPNK-UHFFFAOYSA-N 417.270 2.697 0 50 HFAA O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1861934 MPFMJJOOJDLXPX-UHFFFAOYSA-N 407.378 2.655 0 50 HFAA C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4552698 AFRRCXZKHXCBMJ-JXFKEZNVSA-N 418.515 2.929 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCc2cn3cc(C)ccc3n2)CCC1=O 12204508 GHPGAUQEKIBVMR-GOSISDBHSA-N 406.486 2.706 0 50 HFAA CC[C@H](COC)NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12385745 JPUHWADROBUFHL-MRXNPFEDSA-N 404.507 2.630 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H]1CCSC1)CC2 14533670 DXPZDEAZWCLYQL-SFHVURJKSA-N 402.564 2.638 0 50 HFAA CCC[C@]1(C2CCN(C(=O)CC(C)C)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 14882087 MLHPDKQYQHCTOA-WMZHIEFXSA-N 420.598 2.846 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](OC)C2)n1CCCc1ccccc1 55183161 KXFVUOMXDZDOJV-FQEVSTJZSA-N 405.564 2.920 0 50 HFAA CCOC(=O)[C@@H](C)CCc1nc2sc3c(c2c(=O)[nH]1)CCN(C(=O)OCC)C3 225840184 TZXGYPZHPKABKQ-NSHDSACASA-N 407.492 2.631 0 50 HFAA CC[C@@](O)(C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1 241720934 QTLOXOWDQFFWPF-IRXDYDNUSA-N 419.831 2.628 0 50 HFAA Cc1ccnc(N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2F)CCO3)n1 1857685816 VKVIPBPJSHNIDI-UHFFFAOYSA-N 402.445 2.851 0 50 HFAA Cn1cnc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)c1 1857703469 QYPKEWBWXOACFQ-LJQANCHMSA-N 410.518 2.659 0 50 HFAA O=C1C[C@H]2N(Cc3cnc(N4CCCCC4)nc3)CC[C@]23O[C@H](c2ccccc2)CN13 1857729555 DTORFXYMQPMMFH-IMSXRSKXSA-N 419.529 2.741 0 50 HFAA CC(=O)N1CCc2ncc(CNC(=O)c3cnc(C)nc3-c3ccccc3)cc2C1 1875248645 DDOLLGJBNIOUII-UHFFFAOYSA-N 401.470 2.682 0 50 HFAA COc1cc(C)c(S(=O)(=O)N2C[C@@](O)(C(F)(F)F)c3cccnc32)cc1C 1875322912 NHIHEUZRMFJHDH-INIZCTEOSA-N 402.394 2.666 0 50 HFAA O=C(Nc1ccc(Cl)c2ncccc12)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 2325739956 QQYKOHDFLSUWBE-OAHLLOKOSA-N 422.872 2.858 0 50 HFAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 798955 FUNDMASTMOWFDZ-CYBMUJFWSA-N 416.434 2.823 0 50 HFAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 980831 VMEOMELIMLREDL-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA c1ccc2c(CSc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cccc2c1 4810617 ADXAVJCJLDPHNB-UHFFFAOYSA-N 423.542 2.990 0 50 HFAA Cc1nc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)cs1 11820304 ZOEXAFFWRNUJKU-SFHVURJKSA-N 424.592 2.643 0 50 HFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(O)c2)CC1 11934154 QCIYMDQOCPESOW-UHFFFAOYSA-N 414.502 2.820 0 50 HFAA COc1ccc2ccccc2c1CN1CCc2nnc(CCNC(=O)C(C)C)n2CC1 11972918 FAMFTQFZYURPEG-UHFFFAOYSA-N 421.545 2.813 0 50 HFAA Cc1cc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 12000617 QQZWCPOWPLRKOP-CQSZACIVSA-N 406.533 2.689 0 50 HFAA O=C(NCCc1nc(-c2ccccc2)cs1)c1cn(CCN2CCCCC2)nn1 14974890 LQZFFTKEKVZFSF-UHFFFAOYSA-N 410.547 2.860 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cc(F)cc(F)c2)c1=O 14977971 LIMBBHXROXGUCK-UHFFFAOYSA-N 403.429 2.921 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CCC2=O)cc1 15004714 BEOVKWGVIRQPLF-UHFFFAOYSA-N 412.877 2.871 0 50 HFAA CO[C@H]1CCCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 55341728 KIIQKRNXRHNPGX-FQEVSTJZSA-N 405.564 2.919 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82170926 VKMGTSZKJSHMFK-HXUWFJFHSA-N 400.567 2.837 0 50 HFAA O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 170598641 NFWSSAJEAGGXRH-UHFFFAOYSA-N 401.535 2.509 0 50 HFAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225708973 RLWVJHFTCFYGGN-GBOPCIDUSA-N 420.874 2.984 0 50 HFAA CN1C(=O)N(C)C2(CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccco3)CC2)C1=O 952967065 GSANINVYAIOACN-GOSISDBHSA-N 409.486 2.881 0 50 HFAA CN1C(=O)[C@@]2(CCCN(C(=O)CCc3nc(-c4ccco4)no3)C2)c2ccccc21 952969033 JBHNHXRAWFBSOK-JOCHJYFZSA-N 406.442 2.799 0 50 HFAA O=C(Cc1n[nH]c2ccccc12)N[C@H]1CCCC12CCN(Cc1cncnc1)CC2 1857727910 FLGOJIRIJOJZKX-NRFANRHFSA-N 404.518 2.847 0 50 HFAA CCC(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)Cc3cc(C)ccc3F)CC2)C1 2332238294 KJIHBLCETUCKFB-ZHWIIHSKSA-N 424.538 2.909 0 50 HFAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1ccsc12 2356145755 UZMJJRSBHIXXQN-AWEZNQCLSA-N 403.529 2.648 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(C)cc2)cc1OC 835393 REDUEEUWFRMQJQ-UHFFFAOYSA-N 418.515 2.830 0 50 HFAA CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCN(C(=O)OCC)C2 4150894 HHHGXNDAYPHNDE-UHFFFAOYSA-N 423.535 2.864 0 50 HFAA COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 4805988 CYDAVYPIEJHWOH-UHFFFAOYSA-N 400.909 2.557 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 5662208 BNGDWMKTNLFHLZ-WOJBJXKFSA-N 402.516 2.686 0 50 HFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2)cc1 6500237 MYEMYQFQRIYMRS-UHFFFAOYSA-N 411.483 2.845 0 50 HFAA CC[C@@H](C)CN1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 12099178 YDNHWLQREYOTIU-GOSISDBHSA-N 423.557 2.960 0 50 HFAA CN(CCO)C(=O)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1 12184175 TXKIVHGSSLCGQX-UHFFFAOYSA-N 419.529 2.847 0 50 HFAA O=C(Nc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12421765 GSRWVFPFDBQNOE-UHFFFAOYSA-N 421.475 2.709 0 50 HFAA CCn1nc(C)c(CNC(=O)CCc2nnc(CCc3ccccc3OC)o2)c1C 12591664 OEZQIZNTHRSAGV-UHFFFAOYSA-N 411.506 2.946 0 50 HFAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 14882176 YHHJHFUUHUNTRK-QGZVFWFLSA-N 407.518 2.703 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c(C)c1 65363864 RHUDPMXHNBLHHQ-UHFFFAOYSA-N 414.535 2.595 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)c1 77299174 GJDPSCUCYQODQW-UEOMBKFZSA-N 417.509 2.639 0 50 HFAA O=C(O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 157682910 ZXWGKTNAYMLEAB-CQSZACIVSA-N 415.467 2.509 0 50 HFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCCCC2)cc(=O)c1O 217616748 KMBFAEPGJWDSGH-INIZCTEOSA-N 417.458 2.741 0 50 HFAA biogenic COc1ccc(-c2nn3ccn(CC(=O)Nc4ccccc4C)c(=O)c3c2CO)cc1 263619122 WZSSRASGXOMYRC-UHFFFAOYSA-N 418.453 2.611 0 50 HFAA Cc1nc(C(=O)N[C@@H](C)Cc2ccccc2Cl)nn1-c1n[nH]c(C(F)(F)F)n1 747360894 ZIHIMGCCGXVHPQ-QMMMGPOBSA-N 413.791 2.727 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 1506409435 HBLRCWLWBKSKPR-MRXNPFEDSA-N 400.504 2.923 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1cc(CC)nc(C)n1)C2 1857693899 RHQXXVKVKHOIMA-QMHWCDLVSA-N 416.566 2.608 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1 857018 RNFPDFURVXMBBD-UHFFFAOYSA-N 409.511 2.897 0 50 HFAA CCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 2996446 SMKUQRKLUHDIHQ-UHFFFAOYSA-N 422.478 2.661 0 50 HFAA COCCSc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 9340936 NTBUWNNUIISCRW-UHFFFAOYSA-N 406.533 2.768 0 50 HFAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N[C@H]1CCCCNC1=O 12584096 XOCJCVSMYZITPT-INIZCTEOSA-N 416.909 2.911 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1)C1CC1 14972680 QZQDUEYTYMHDQJ-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-n3cccn3)nn2)CC1 65364393 DXLJJUNUBIFKLV-UHFFFAOYSA-N 403.273 2.932 0 50 HFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc([C@@H](C)N(C)C)c2)c1 72167636 QKJJOLPHRZGICE-CQSZACIVSA-N 406.504 2.599 0 50 HFAA CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCC[C@H]1O 72442133 SBNAYFUCWOBHDX-QZTJIDSGSA-N 414.955 2.503 0 50 HFAA Cn1cccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82109262 BKVIGGXCQBJBFQ-OAQYLSRUSA-N 422.573 2.701 0 50 HFAA Cc1ccnn1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95504463 HNQSWSAILUNTLR-INIZCTEOSA-N 404.461 2.805 0 50 HFAA O=C(c1nccc2ccccc12)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778206 HNSYWHHTYRUWGK-OAHLLOKOSA-N 401.430 2.841 0 50 HFAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NO[C@@H]3CCCCO3)CC2)c1C 170607520 YRKZUTUGMRPTMT-LJQANCHMSA-N 424.563 2.895 0 50 HFAA C[C@@H](OC(=O)c1cnn(CCO)c1-c1ccccc1)C(=O)N(C)Cc1ccccc1 170616557 UIFXWWCQWFGHAB-QGZVFWFLSA-N 407.470 2.746 0 50 HFAA CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCCN12 252430763 INAWKYYRGFLTDR-XUJKJYMVSA-N 401.466 2.532 0 50 HFAA NC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1O 252501541 UHDRWYCWSHGTIG-MRXNPFEDSA-N 422.428 2.940 0 50 HFAA O=C(O)[C@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 328594462 LMGJWVOXVOWSTD-JKSUJKDBSA-N 420.465 2.943 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](CC)C(=O)NC)csc3C2)nc1 426536233 FMUZYEBCCNQZIV-GOSISDBHSA-N 400.548 2.518 0 50 HFAA CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C2CCCCC2)c1 442081683 JEYKYRNUZXLAOO-HNNXBMFYSA-N 409.552 2.789 0 50 HFAA O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCOc2ccc(C(F)(F)F)cc21 472922174 HOCDMCFUKRKYQS-UHFFFAOYSA-N 411.380 2.686 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1=O 952967584 LHCPIGWDWRDSQY-KRWDZBQOSA-N 405.458 2.776 0 50 HFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@]2(F)CCOC2)cc1 1322689073 YRGZPJLOJULAJW-QFIPXVFZSA-N 414.433 2.535 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)[nH]1 1704311649 OOYCSWSFMJDTOM-NRFANRHFSA-N 401.530 2.975 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1Cl)C2 1857702927 ITESUMFHXXGDHQ-CBGDNZLLSA-N 407.942 2.996 0 50 HFAA Cc1ncsc1CN1CC2(CCN(C(=O)[C@@]3(C)CCCCO3)CC2)OCCC1=O 1857720286 NKEKEVJBCCAUMS-HXUWFJFHSA-N 421.563 2.521 0 50 HFAA C[C@@H](NC(=O)[C@@H](C)n1nnc2cc(Cl)ccc2c1=O)c1ccc2c(c1)OCCO2 1875255862 RXGQYSKBNCYUHH-VXGBXAGGSA-N 414.849 2.655 0 50 HFAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N[C@](C)(C(=O)O)c3ccc(F)cc3)n2)c1 2325877631 WCNWWZCRLXLGBB-FQEVSTJZSA-N 401.369 2.894 0 50 HFAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1049074 BHJOZMKZWGPHCZ-UHFFFAOYSA-N 412.870 2.681 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1 1069583 MOLPQOZCSNHRFH-INIZCTEOSA-N 404.829 2.840 0 50 HFAA COc1ccccc1OCCNC[C@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C 5679102 YMKUKKPQJBECRH-IBGZPJMESA-N 417.502 2.954 0 50 HFAA CCN1C[C@H](CN(C)C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC1=O 12091006 JTGGUUAKOOEXSV-SFHVURJKSA-N 417.513 2.856 0 50 HFAA COCCn1c(CN(C)Cc2cc(C)[nH]n2)cnc1S(=O)(=O)C1CCCCCC1 12316866 HNBVMKWLWXNZQY-UHFFFAOYSA-N 423.583 2.690 0 50 HFAA C[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380921 PTBGZHSYSGOFSN-GFCCVEGCSA-N 410.879 2.904 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cc(-c3ccccc3)on2)o1 14974512 YHYNWQPXNILTAD-FQEVSTJZSA-N 422.485 2.592 0 50 HFAA COCCCN1C(=O)c2cccc(N3CCN(Cc4cccc(OC)c4)CC3)c2C1=O 15068493 HBRVSAPHUQFWFR-UHFFFAOYSA-N 423.513 2.650 0 50 HFAA CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)OCO4)C2=O)cc1 100616041 FYKGBTQSEYXJRN-GOSISDBHSA-N 424.453 2.794 0 50 HFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169777982 YLNSVHFHTODCHH-CYBMUJFWSA-N 417.267 2.740 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(F)c4)ccn3n2)cc1 169780163 PDVHUBNYXQSCLH-UHFFFAOYSA-N 406.417 2.741 0 50 HFAA CC(C)c1nnc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)n1C 225525586 DWOLUXNSQPYFDA-NRFANRHFSA-N 401.511 2.995 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)C1 248317555 NFTRSCAXXPGNKG-LPHOPBHVSA-N 404.507 2.642 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)c4nncn4C)csc3C2)nc1 426378306 YUQHOUZRQRPILP-CQSZACIVSA-N 410.547 2.883 0 50 HFAA C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 684751273 GVVLJDPTXFXBAW-HUUCEWRRSA-N 411.535 2.777 0 50 HFAA O=C(CNC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)NC1CCCC1 760747396 UOIXELUFJUZYPU-OAQYLSRUSA-N 411.502 2.657 0 50 HFAA C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)N2CCO[C@H](c3ccccc3)C2)C1=O 888105503 FTFXLSHTRDFDME-RDPSFJRHSA-N 406.482 2.693 0 50 HFAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@H]5CC[C@H](c6ccccc6)N5)(C4)C2)C3)n1 1857735414 DBZCQDKTWADQEZ-OPOMDIKTSA-N 406.534 2.639 0 50 HFAA O=C(NCc1cccc(Cn2cncn2)c1)[C@@H]1CCCN1c1ncnc2sccc12 1875253245 ZFDYUWZEAIUQET-SFHVURJKSA-N 419.514 2.616 0 50 HFAA O=C(NCc1cccc(C(=O)N2CCCC2)c1)NCc1nc(-c2ccccc2)n[nH]1 1875256162 SJYJOFFXHDLIAM-UHFFFAOYSA-N 404.474 2.707 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC[C@H](Cn2ccnc2)C1 2356140239 ZXVNKVCOZUSRDE-MRXNPFEDSA-N 400.548 2.648 0 50 HFAA COc1c(F)cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cc1F 2356147476 XXLLZACULHVSMI-OAQYLSRUSA-N 402.445 2.950 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 872212 BVAXYFGFDJWMEF-UHFFFAOYSA-N 413.587 2.966 0 50 HFAA CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 882251 BRATWIAGEUUOTN-HZPDHXFCSA-N 418.490 2.926 0 50 HFAA O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 2813977 CFPBCCZTQBOLAG-AWEZNQCLSA-N 403.276 2.997 0 50 HFAA O=C(NCc1ccc(F)cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10660714 YUQKXBRUHKAUMN-UHFFFAOYSA-N 422.386 2.815 0 50 HFAA COCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)c2cccs2)(c2ccccc2C)C1=O 12281119 LMHBOCUVQYGNEP-AOMKIAJQSA-N 414.527 2.967 0 50 HFAA Cc1nonc1C(=O)NCc1nnc(SCc2ccccc2F)n1CC(C)C 14885986 UOQVZZMAPKHMFG-UHFFFAOYSA-N 404.471 2.987 0 50 HFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCCN2CCCC2=O)C1 14959718 FCMTUNKNNRMJLB-HXUWFJFHSA-N 415.578 2.811 0 50 HFAA CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 14962599 RMEKNBIXAXUILE-UHFFFAOYSA-N 423.517 2.875 0 50 HFAA C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 14981662 HNUZWBZVUHCUNK-OBGWFSINSA-N 405.502 2.805 0 50 HFAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cccn1-c1ncccn1 14991210 NMULAKZHKTVFLP-WMZOPIPTSA-N 409.877 2.919 0 50 HFAA O=C(/C=C/c1cccc(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 20204066 JAUFEUHSQYFEET-NJZWYFQKSA-N 410.493 2.965 0 50 HFAA COCCCn1c(CN(C)[C@@H](C)c2ccncn2)cnc1S(=O)(=O)C1CCCC1 55358557 ANFAWXFIEXZOKH-INIZCTEOSA-N 421.567 2.619 0 50 HFAA Cc1cccc2c(-c3cc(C(=O)O)cc(S(=O)(=O)N4CCOCC4)c3)c[nH]c12 71763259 FMLFKJNGWSAWPC-UHFFFAOYSA-N 400.456 2.862 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 77323204 WIQBROAJGPEKTE-CIEVZJJWSA-N 421.497 2.540 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77356790 UIULCWCOXWKEMM-BLRYILKCSA-N 409.530 2.587 0 50 HFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](CNC(=O)c4ccnnc4)C3)c2)n1 952968141 OGFPENXJHWZDRM-FQEVSTJZSA-N 404.518 2.921 0 50 HFAA CC(C)Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc(N)n1 1704344396 NAZUNMMGVNCJKE-IERDGZPVSA-N 405.502 2.793 0 50 HFAA CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@]3(C(=O)O)CC=CCC3)n2)cc1 1875343195 UDHFKAABFYLCRM-SFHVURJKSA-N 421.500 2.931 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC(c3nnc(C)o3)CC2)(c2ccccc2)CC1 1875370479 QFSABXSMXGJULH-UHFFFAOYSA-N 408.502 2.830 0 50 HFAA O=C(O)c1cc2c(s1)C1(CCN(Cc3noc([C@H]4CCCO4)n3)CC1)OCC2 2356159522 FGAAOJSEODCACN-CYBMUJFWSA-N 405.476 2.745 0 50 HFAA CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 1141478 RCKWNFHJTHZQTO-UHFFFAOYSA-N 401.257 2.847 0 50 HFAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C 2803712 YRBGHPKMPGNFJI-UHFFFAOYSA-N 415.388 2.787 0 50 HFAA COC(=O)c1cc(C)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 2889904 NGQARLXPLLFARA-ZDUSSCGKSA-N 405.453 2.966 0 50 HFAA COC1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)CC1 11935605 UVMSCNMINVLCJF-UHFFFAOYSA-N 409.527 2.863 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)N(C)CCCn2nc(C)cc2C)CCC1=O 12297636 NZWGJOWEBFQSIP-FQEVSTJZSA-N 412.534 2.796 0 50 HFAA CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc(Cl)c1)S(C)(=O)=O 13686083 WEOLFZOKFLJBBT-INIZCTEOSA-N 409.895 2.622 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)c(OC)c1OC 14957705 RWXITTFHQDQHJH-INIZCTEOSA-N 404.507 2.967 0 50 HFAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)CN1CCOCC1 15079359 YSNKEEKWTLWCHX-OAQYLSRUSA-N 412.530 2.546 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(OC)cc4)CC3)n[nH]c2=O)cc1 169779247 JSMUSVYVFGLCBS-UHFFFAOYSA-N 422.485 2.657 0 50 HFAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc2c(c1)OCCCO2 248383187 ZLBJPGMCEGOCFA-USXIJHARSA-N 400.475 2.590 0 50 HFAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CN1C(=O)CC2(CCCC2)C1=O 253412834 SEURUGCQGYHUDW-SFHVURJKSA-N 409.486 2.989 0 50 HFAA biogenic NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C(N)=O)c3ccc(F)cc3)cc2)cc1 464321083 OSTUJSCOQLHWGT-LJQANCHMSA-N 407.401 2.673 0 50 HFAA O=C(NCc1cccc(OCC(F)F)c1)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 494896708 WMCFNIFTELJWSO-CYUBZGNQSA-N 404.457 2.639 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-c1nccn1C 1506395722 LPMXHYSJRYILAI-HNNXBMFYSA-N 413.503 2.512 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)CC1 1875365632 ILTLOIDHWYWFSO-GOSISDBHSA-N 401.532 2.568 0 50 HFAA C=CC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)C1 1875387848 ATBKSWFMKPRNJC-FRFSOERESA-N 421.423 2.890 0 50 HFAA Cc1nc2c(C(=O)N3CCc4nn(C)c(-c5ccccc5)c4CC3)ccnc2n1C 2100483548 CYKMFIPNNKJZIX-UHFFFAOYSA-N 400.486 2.918 0 50 HFAA COc1ccccc1[C@@H](C)N1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 2325718806 CHKFZOMGLUZYFR-QGZVFWFLSA-N 416.543 2.926 0 50 HFAA Cc1c(C(=O)N2C[C@H]3C[C@H](NC(=O)c4cncs4)CC[C@H]3C2)sc2nccn12 2325876072 JWPAANJHQWLOCZ-BFHYXJOUSA-N 415.544 2.831 0 50 HFAA CCCCOc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 1781799 BCBWDCSDHFEBQN-NBVRZTHBSA-N 405.479 2.905 0 50 HFAA CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OS(C)(=O)=O 2824813 NSEXAAUQYCXHSI-XNTDXEJSSA-N 405.403 2.907 0 50 HFAA CCn1cc(NC(=S)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)c(C(N)=O)n1 2856919 BDBAUBGIBKHBKD-VIFPVBQESA-N 421.548 2.784 0 50 HFAA COC(=O)c1sc(NC(=S)NCc2ccc3c(c2)OCO3)c(C(=O)OC)c1C 2859142 CASVBRRQZDWODY-UHFFFAOYSA-N 422.484 2.845 0 50 HFAA COc1ccc(CCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 2986980 MSPPSDPXIBXTCL-UHFFFAOYSA-N 404.532 2.944 0 50 HFAA C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 3004793 MCWAOMOJDCWRTL-ZDUSSCGKSA-N 411.321 2.947 0 50 HFAA CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)c(Cl)c1 7365802 FKASIQWJINBZMQ-UHFFFAOYSA-N 411.911 2.509 0 50 HFAA O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 11699896 AIWJHFPFIOPOSW-IBGZPJMESA-N 401.526 2.597 0 50 HFAA CN1C(=O)C[C@](CC(=O)N(C)[C@@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O 12158796 PBDJAXKGTOQPCA-HYBUGGRVSA-N 406.482 2.618 0 50 HFAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CCn2cccn2)CCO3)C1 12280957 XGYHQQQPIFISPP-HXUWFJFHSA-N 412.534 2.553 0 50 HFAA Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)o1 12302913 SUCQQCXKKJDNBE-SFHVURJKSA-N 407.536 2.779 0 50 HFAA Cc1ccc(C)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1 14542218 YTYUXIPIAFHUKZ-VJBMBRPKSA-N 416.525 2.585 0 50 HFAA O=C([C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCC(O)CC1 14956943 IFOIBWDOSOAEDT-SFHVURJKSA-N 406.530 2.832 0 50 HFAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCOc1ccccc1 27647177 UUTUTDVOWPRLDV-GESHSCTDSA-N 404.503 2.932 0 50 HFAA in-vitro CCCc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ccn1 71415744 OPRXKKKBYPWETD-HXUWFJFHSA-N 412.578 2.973 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 104301939 VZJGNOPVKAXTPB-RTOMLYRKSA-N 402.494 2.945 0 50 HFAA O=C1N[C@H](C(=O)N2CCC(OC3CCCC3)CC2)CS[C@H]1Cc1ccccc1F 170608078 DSSFQLFCSHXPLI-PMACEKPBSA-N 420.550 2.919 0 50 HFAA Cc1ccccc1OCC(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263617335 NGIDTWGOWWWIRY-UHFFFAOYSA-N 405.502 2.644 0 50 HFAA COc1cccc(CC2=NO[C@@H](C(=O)N(Cc3ccccc3)C[C@@H]3CCC(=O)N3)C2)c1 299770000 KSORHBDHHNWIEB-SIKLNZKXSA-N 421.497 2.690 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2cccc(Cl)c2)C1 426082042 ZGRCJKJJFVERMH-HQTAAQSSSA-N 413.949 2.727 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3CN4CCC3CC4)csc2C1 426635354 KJXDYEMNGCBCRR-LJQANCHMSA-N 400.548 2.735 0 50 HFAA CC(C)(O)CCc1ccc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1 828157153 CKLRBXGURNZIQY-WVKNIADZSA-N 409.534 2.855 0 50 HFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 828189074 YVOIPLNBXDAGLL-INIZCTEOSA-N 415.471 2.826 0 50 HFAA COc1cc(CN2C[C@@H]3CN(Cc4ccncc4Cl)C[C@@]3(CO)C2)cc(OC)c1 1772806059 YDXVZDLHRQGGKD-XMSQKQJNSA-N 417.937 2.679 0 50 HFAA OC[C@@]12CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]1CN(Cc1ccccn1)C2 1772814336 TYBQETXBXHHEFE-XXBNENTESA-N 411.933 2.937 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)N(C)Cc4ncc(C)[nH]4)CC3=O)sc2c1 1857710997 GHIPKFXDMFUUFT-CYBMUJFWSA-N 413.503 2.738 0 50 HFAA CCCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(CC1)CNC(=O)CCO2 1857726666 BLZIEXZYPNPJEP-GOSISDBHSA-N 412.534 2.838 0 50 HFAA COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(Br)cc3)C2=O)n1 1875317759 CUVCGQOCCAOBLJ-OAHLLOKOSA-N 404.264 2.778 0 50 HFAA CN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5ccccc5)[nH]4)[C@@H]3C2)CC1 1875333511 YVWMCORLTFHWKJ-SIKLNZKXSA-N 406.530 2.696 0 50 HFAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 1875371477 CCRGFCUWOWQLEH-LJQANCHMSA-N 401.470 2.738 0 50 HFAA C[C@@H](NC(=O)CN(C)Cc1ccc(S(N)(=O)=O)cc1)c1ccc2ccccc2c1 2325735269 JSJGMIUVJMNRQH-MRXNPFEDSA-N 411.527 2.796 0 50 HFAA CCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1 727940 NQLOXILOCPJYRF-ATVHPVEESA-N 409.467 2.782 0 50 HFAA COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 832302 YZLCRKYZDJMDRX-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)cc1 890148 OXABGKXTLBVPAW-OAQYLSRUSA-N 414.527 2.823 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cc(C(F)(F)F)ccc1Cl 916139 CERHXSXIOPDBTH-UHFFFAOYSA-N 421.828 2.836 0 50 HFAA CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 2700551 FCVGKHOAXOUMFO-UHFFFAOYSA-N 412.562 2.995 0 50 HFAA Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5F)CC4)n(C)c3nc12 2917260 XHNTZOQWCPQWFC-UHFFFAOYSA-N 419.460 2.596 0 50 HFAA O=C(NC1CCOCC1)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 12749136 MJCSDXKPUGGTDF-UHFFFAOYSA-N 412.534 2.804 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)no1 19835561 XLNKXSBRSHVCPH-NRFANRHFSA-N 424.545 2.960 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC 23373561 PHCKJGYNXJZOIM-JOCHJYFZSA-N 419.610 2.837 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nnc([C@@H]2CCCO2)s1 44903880 CRJQNEYPLWYNQA-AWEZNQCLSA-N 417.878 2.905 0 50 HFAA Cc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1C 65362371 KFJNIEYQDMPEAA-GOSISDBHSA-N 418.501 2.898 0 50 HFAA Cc1cccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 95512683 PVEMXEDYAGBFPM-QFIPXVFZSA-N 408.546 2.901 0 50 HFAA O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206248007 CNEQYWHATCPCMP-LJQANCHMSA-N 405.454 2.750 0 50 HFAA COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](O)[C@]21C 238784369 UQNOSWRXLARWGA-PYMXQXNBSA-N 420.502 2.578 0 50 HFAA biogenic COCC[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C(=O)OC 240871470 IKTZCOFDPHQTLK-SFHVURJKSA-N 413.499 2.935 0 50 HFAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 409414495 LFRBEIYRNXNMRT-QZTJIDSGSA-N 406.442 2.765 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCN3CCCCC3=O)csc2C1 426602505 NEZLZMDDURBOBC-UHFFFAOYSA-N 416.547 2.654 0 50 HFAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670448420 ARINLJPOPIUHLY-AVBDTAHFSA-N 413.924 2.705 0 50 HFAA O=C(Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1cccc(-c2nnco2)c1 747303130 OFUGQLBNDNTIJN-UHFFFAOYSA-N 411.361 2.803 0 50 HFAA O=S(=O)(NCc1noc(C2CC2)n1)c1ccc(-c2cc(C(F)(F)F)on2)o1 825720679 VCRLYBAJQLOHME-UHFFFAOYSA-N 404.326 2.692 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 2325883225 KLDJGRRMVUWIIC-UHFFFAOYSA-N 405.498 2.704 0 50 HFAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2Cc1ccccc1Cl 634517 SWODJPLZBHYPRR-UHFFFAOYSA-N 409.877 2.780 0 50 HFAA biogenic COC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OC)c1C 656386 QMBVBALXVJCRNB-UHFFFAOYSA-N 401.396 2.988 0 50 HFAA O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCN(C(=O)c2ccco2)CC1 2771037 MXGTTYRTXRJMSI-UHFFFAOYSA-N 415.400 2.736 0 50 HFAA Cn1nc(C(=O)NCCCn2cc(Br)cn2)c(Cl)c1C(F)(F)F 2781120 GYPSWLAVXLWBQA-UHFFFAOYSA-N 414.613 2.871 0 50 HFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c1 9090479 ZVFKOTDNFKCGQE-GJYPPUQNSA-N 424.375 2.808 0 50 HFAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCN(c2nc3ccccc3o2)CC1 12303574 CKUSBDZMBSCCCU-UHFFFAOYSA-N 406.421 2.569 0 50 HFAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC(O)(c2cccnc2)CC1 12449438 XSNRIBXJYGCFQO-UHFFFAOYSA-N 415.856 2.638 0 50 HFAA CC(C)CNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 14531416 XTVRUFNDYZJGAO-UHFFFAOYSA-N 424.611 2.609 0 50 HFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCCN2CCCC2=O)C1 14959713 FCMTUNKNNRMJLB-FQEVSTJZSA-N 415.578 2.811 0 50 HFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc(OC)c1 14975799 FVFWFYMALTYOEL-OAHLLOKOSA-N 400.479 2.708 0 50 HFAA Cc1ccccc1-c1cccc(CN2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)c1 15008176 CCUHMSWNJAKBDD-OAQYLSRUSA-N 419.529 2.813 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1ccc2c(c1)OCO2 15068930 JZMYQBSMQGCOIT-GOSISDBHSA-N 409.486 2.809 0 50 HFAA COC(=O)c1ccc(CNC(=O)c2coc(CN3CCc4ccccc4C3)n2)cc1 19745173 LURSSYTUMNZFLO-UHFFFAOYSA-N 405.454 2.950 0 50 HFAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(C/C=C/c2ccccc2)CC1 61721108 KMMBFPRZLHNMIF-XBXARRHUSA-N 420.538 2.829 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccncc4)C3)C2=O)c1OC 72160973 QXZDFMXDCNPESB-QHCPKHFHSA-N 409.486 2.754 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C)(C(=O)OC(C)C)CC2)cc1 96372382 TYMCHHVBICMWCW-UHFFFAOYSA-N 411.520 2.669 0 50 HFAA in-vitro O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 165865508 JMQHDPGEFRNBMV-WHLIWEHUSA-N 405.498 2.551 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@@H](c3cc(OC)ccc3OC)C2)c1 170615379 KTJBMTVKTAALSQ-LJQANCHMSA-N 420.487 2.832 0 50 HFAA CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 225601209 JWJPKJVODSZNPR-QUCCMNQESA-N 400.500 2.618 0 50 HFAA Cc1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)C(F)(F)F)c1 239274707 APKHLRUSDPHXPT-KBCNZALWSA-N 404.388 2.901 0 50 HFAA CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(N3CCNC3=O)c2)cs1 463390823 LTSIYEIVQNYMDP-UHFFFAOYSA-N 401.492 2.839 0 50 HFAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCCN1Cc1ccccc1 670452351 RJKLUORYUVYLDS-VIETXRTMSA-N 406.534 2.502 0 50 HFAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)[C@@H](C)Cn3cccn3)CC1)CC2 824616740 UWYRJLLCVWGTDE-KRWDZBQOSA-N 412.534 2.586 0 50 HFAA O=C(COc1cccc(Cl)c1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952979873 BBHQODRQBYJQDJ-UHFFFAOYSA-N 404.850 2.595 0 50 HFAA CCOc1cc2c(cc1CN1CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C1)CCC2 1073391725 ZCRCOWNYBOFDIU-REWPJTCUSA-N 401.551 2.514 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 1704311354 GIJSBGLQJLEZPW-IBGZPJMESA-N 411.550 2.785 0 50 HFAA Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc(N2CCCCC2)n1 1704343048 IRZXDVXBBLXIPE-UHFFFAOYSA-N 413.473 2.972 0 50 HFAA O=C(N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2)c1c[nH]nc1C1CCCCC1 1857705040 PJHQUVZAXLTULB-JFRXWTBNSA-N 400.523 2.603 0 50 HFAA C[S@](=O)(CC1CC(N)C1)=NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 2325850884 KMFZHGYBFKSSGR-GBLFHIFSSA-N 406.577 2.874 0 50 HFAA Cc1cc(N)n(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)n1 2356143170 XEYMSNCCYUXQTH-MLNNCEHLSA-N 407.562 2.718 0 50 HFAA O=C(c1csc(Cc2ccccc2)n1)N1CCc2nc(C3CCOCC3)nn2CC1 2356162363 AEYMUMFVTJEZEC-UHFFFAOYSA-N 423.542 2.918 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(Cl)c(C(F)(F)F)c1 882512 VNSJFPYVDODCQR-UHFFFAOYSA-N 421.828 2.836 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 4999246 DKTLCAIBXKCGSB-UHFFFAOYSA-N 418.471 2.503 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 7054464 VPCSZWJWEFBLGT-CYBMUJFWSA-N 400.547 2.970 0 50 HFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1[nH]c(C)cc1C 11813835 FZSCIEGFKCUOSD-OAQYLSRUSA-N 404.599 2.916 0 50 HFAA Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@@H]3CCCO3)c12 12038778 NBCCHHNQDHFVGE-HNNXBMFYSA-N 403.552 2.806 0 50 HFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 14530526 FNWKHVFJOMXBBR-KRWDZBQOSA-N 410.518 2.905 0 50 HFAA COc1cccc(CO[C@H]2CN(Cc3cn(C)nc3C)CC(=O)N(CC(C)C)C2)c1 14541399 AFHINPPKHMOLJA-QFIPXVFZSA-N 414.550 2.623 0 50 HFAA COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 14745319 IKFPMHJATAQRQU-VQTJNVASSA-N 415.509 2.891 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 19731711 GSZGVFBERPXEBV-NRFANRHFSA-N 421.497 2.565 0 50 HFAA CCOc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)ccc1OC 20149524 LHWRSBXGDJMJRZ-QFIPXVFZSA-N 419.610 2.835 0 50 HFAA COCCN1CCN(Cc2nc(NC[C@H]3CCCO3)c3ccc(Cl)cc3n2)CC1 20907615 LLUVOFOCHITQKB-QGZVFWFLSA-N 419.957 2.638 0 50 HFAA C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 47416237 ZDMUIVGFRUUFQG-ROUUACIJSA-N 407.580 2.569 0 50 HFAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 65364229 VUZDBSQMOCWFJC-HNNXBMFYSA-N 418.457 2.774 0 50 HFAA COC[C@H](C)n1c(CCCC(=O)N2CCC(C(C)(C)O)CC2)nc2cccnc21 77300905 BPLQPELMLULYHU-INIZCTEOSA-N 402.539 2.971 0 50 HFAA O=C(CSCC1CC1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 95354629 WDSDWUXYVKANRQ-UHFFFAOYSA-N 401.576 2.999 0 50 HFAA CC1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C[C@@]2(CCOC2)O1 225442989 ITUBKFWUIJNTPR-SQJMNOBHSA-N 422.525 2.824 0 50 HFAA O=C1CC[C@@H](CCNCc2ccccc2)N1C[C@H](c1cccnc1)N1CCOCC1 299762160 LMLPKRRJXXQXRS-XZOQPEGZSA-N 408.546 2.626 0 50 HFAA COc1cccc(-n2cc(CNC(=O)c3ccc(CSc4nc[nH]n4)o3)cn2)c1 670450260 LYSOBTKZTRJMQW-UHFFFAOYSA-N 410.459 2.814 0 50 HFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)CCCC(C)C)CCCC(=O)NCCO2 1857704751 DXVXZNRFPCAYIY-UHFFFAOYSA-N 417.550 2.669 0 50 HFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857726088 WDCDKBILERDMLA-IFMALSPDSA-N 415.497 2.745 0 50 HFAA O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(c2cccc3sccc23)CC1 1875324332 SOEVVJQXRSTFOB-UHFFFAOYSA-N 414.512 2.994 0 50 HFAA CN1C(=O)NC[C@@H]1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1875343085 PIBJJHPTCQIMNX-WOJBJXKFSA-N 412.921 2.597 0 50 HFAA CCCc1cc2c(=O)n(NC(=O)c3c(Br)c(C)nn3C)c(C)nc2s1 2778984 SKUOOMJIMITOBA-UHFFFAOYSA-N 424.324 2.907 0 50 HFAA OCCN(Cc1ccccc1)C[C@@H](O)COc1c(F)cc(Br)cc1F 2940369 AJQMZRFUUSBXSX-OAHLLOKOSA-N 416.262 2.962 0 50 HFAA COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)O)C(Cl)(Cl)Cl)cc1 3121979 RURNLGIPJMJCPU-VIFPVBQESA-N 400.671 2.724 0 50 HFAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccc(F)cc2)CC1 4116532 KUHZGMOROKXYCM-UHFFFAOYSA-N 417.440 2.924 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 4476099 MOUDRDVUPWLWAL-INIZCTEOSA-N 404.392 2.555 0 50 HFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1csnn1 11844575 MTJDEDQJMVXVPQ-INIZCTEOSA-N 405.543 2.593 0 50 HFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CN3CCOCC3)C2)c(OC)c1 12432252 ZGQQETLZBJLLTI-KRWDZBQOSA-N 400.523 2.638 0 50 HFAA CN(CCO)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 12513030 FDXPZKPSNVNAFV-CQSZACIVSA-N 403.935 2.941 0 50 HFAA C[C@H](Cc1cnccn1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12588139 NGZRNGJZGFECIT-MRXNPFEDSA-N 408.502 2.617 0 50 HFAA O=C(Cn1cccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12612486 XSAZGJOXTNVBPI-XMMPIXPASA-N 422.573 2.770 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(CCc1ccccc1)CC2 14533202 SBHYDVRYJIRFKL-UHFFFAOYSA-N 422.529 2.570 0 50 HFAA O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 18107471 JRLYYSDNZAXLAW-QGZVFWFLSA-N 410.474 2.890 0 50 HFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 65362722 VQDRALXYLFZGFB-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA CCNc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc(C)n1 65365033 MBKGHZGPFQKOFO-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA CN(Cc1cnc2ccccn12)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 67726714 SIWNVMFGHXOREW-SFHVURJKSA-N 408.477 2.913 0 50 HFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nnc([C@@H]2CCCO2)s1 71283421 FAOJOWZGVPIBRM-AWEZNQCLSA-N 417.878 2.905 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 72140567 MGTDJYNWHOLAOA-UHFFFAOYSA-N 405.545 2.597 0 50 HFAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCCN3CCOC[C@@H]3C)c12 170616659 PEJOPRXBYCTFFU-ZDUSSCGKSA-N 400.504 2.883 0 50 HFAA Cc1ccc([C@H](C)NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1C 225542885 MGYGNCMFOUOMOM-HNNXBMFYSA-N 411.531 2.947 0 50 HFAA C[C@@H]1[C@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 253431310 PEQMJYUIJFBMBN-CZUORRHYSA-N 407.392 2.942 0 50 HFAA O=C(Cn1nnc2ccccc2c1=O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334160881 OCGCLLDNWRIVPJ-OAQYLSRUSA-N 410.437 2.574 0 50 HFAA COc1ccccc1N1CC[C@H](NC(=O)C2(c3ccccc3C)CCOCC2)C1=O 465180805 BAWLZTUAFHYNBZ-IBGZPJMESA-N 408.498 2.974 0 50 HFAA CC(=O)c1c(C)nn(CC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)c1C 952991002 YFWMMGNWPTVNTD-UHFFFAOYSA-N 411.506 2.766 0 50 HFAA COc1ccc(N2CCN(Cc3cccc(OC)c3OCCn3ccnc3)CC2)cn1 1857700663 ZTRYONGROGVMFV-UHFFFAOYSA-N 423.517 2.697 0 50 HFAA Cc1nc(N2CC[C@@H](CO)C2)c2c(n1)C1(CC2)CCN(c2ncc(Cl)cn2)CC1 1857703498 SDCQTBISYXUTPZ-OAHLLOKOSA-N 414.941 2.531 0 50 HFAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857728947 GURYGBXHTFYXON-ROKPMTFOSA-N 414.465 2.991 0 50 HFAA COc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 881346 GIAKLUYFXVAOLB-UHFFFAOYSA-N 416.543 2.943 0 50 HFAA O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCc1ccc(F)cc1 4101210 NFPRFKQNURSGLB-UHFFFAOYSA-N 406.464 2.609 0 50 HFAA CC(C)CSc1nnc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)n1C 11787217 UUMBQVJXAPIEQX-UHFFFAOYSA-N 401.536 2.663 0 50 HFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCN1CCCCC1=O 12297945 NEDBRHQWLAJWAV-UHFFFAOYSA-N 403.542 2.941 0 50 HFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2nc(Cl)ccc2=O)c1 12455573 GMXWHUFUNZPQEL-KRWDZBQOSA-N 411.893 2.893 0 50 HFAA COc1ccc(C2(CNC(=O)C[C@H]3C(=O)NCCN3C3CCCC3)CCCC2)cc1 12573973 ACUQTENNTGYTOG-NRFANRHFSA-N 413.562 2.756 0 50 HFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)c(C)c1 12587753 XEAVNSKPZINLNN-SFHVURJKSA-N 415.534 2.973 0 50 HFAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 14997730 VIIXFMVFATXXKM-UHFFFAOYSA-N 421.457 2.654 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCCC1CCCC1 15073440 ZESOHDKSVQBFPR-JYNAJPCDSA-N 413.562 2.986 0 50 HFAA O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1cccs1 18271510 ALEQVUTZIWCFDJ-MRXNPFEDSA-N 412.540 2.808 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccccc1Cl)CC(=O)N2 65362171 ZDXURTVIRGMPDZ-OAHLLOKOSA-N 424.892 2.935 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 67649765 JAAKDEFPUKZOLF-CJHOVAGGSA-N 416.525 2.731 0 50 HFAA CC(=O)N1CCCN(Cc2cccc(-c3nc(O)cc(-c4ccncc4)n3)c2)CC1 67982918 WXGHFLANSFBXHB-UHFFFAOYSA-N 403.486 2.965 0 50 HFAA CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)nc(C)n1 72433949 MGGFFGYKXWGLAG-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA CCc1ccc(S(=O)(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1 82230699 DNKFBKCRSNIDRI-UHFFFAOYSA-N 403.552 2.728 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cnc(N(C)C)s2)C[C@H]1CCO 104362136 VTVGWVRXKWMLKM-GOSISDBHSA-N 404.580 2.677 0 50 HFAA CC(C)(C)OC(=O)NCCCNCCCCNCCCNC(=O)OC(C)(C)C 108644569 KBHLGUZPXGDPGO-UHFFFAOYSA-N 402.580 2.775 0 50 HFAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758732 BWGQKIXDPSCXAF-FQEVSTJZSA-N 408.502 2.533 0 50 HFAA CC[C@@]1(c2ccc(NC(=O)Cc3ccccc3[S@@](C)=O)cc2)CCC(=O)NC1=O 170610262 FCWYEJIEZZTBTH-PZGXJGMVSA-N 412.511 2.690 0 50 HFAA Cc1ccc(S(N)(=O)=O)c(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)c1 225631160 TXJHATJTRCYTSH-UHFFFAOYSA-N 408.480 2.596 0 50 HFAA C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C 252670363 KINFFZRRZXVGPW-ANULTFPQSA-N 420.642 2.772 0 50 HFAA CC[C@H](CO)NC(=O)Cc1ccc(N[C@H](COC(C)=O)c2ccc(Cl)cn2)cc1 253415971 GHIDNVDJCXWFDS-YLJYHZDGSA-N 419.909 2.881 0 50 HFAA CCC[C@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299769389 MZIZJZYTDDOVFS-HSZRJFAPSA-N 424.501 2.860 0 50 HFAA CC[C@H]1CN(CCC(=O)N2CCN(c3ccncc3)CC2)Cc2cc(OC)ccc2O1 299775256 AYTLFDLJGNOBJI-NRFANRHFSA-N 424.545 2.802 0 50 HFAA COc1ccc(C(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)c(F)c1 328607374 VYXUNNWVHBZBKS-HNNXBMFYSA-N 402.470 2.713 0 50 HFAA CCc1noc(CCNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 426395448 WSHMVHLMVOOAFB-UHFFFAOYSA-N 415.519 2.829 0 50 HFAA C[C@H](O)CN1CCN(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 498404775 UMVZJSUSXQZAKO-HNNXBMFYSA-N 405.445 2.965 0 50 HFAA Cc1ccccc1N1CCCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 1506401554 JOVQYYXYKMLJIY-UHFFFAOYSA-N 401.532 2.612 0 50 HFAA Cc1noc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506409990 BWUWKPRGXMLUKP-SNVBAGLBSA-N 417.369 2.906 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)[nH]1 1704326058 VHHJXTKZTXDVEQ-IBGZPJMESA-N 411.550 2.785 0 50 HFAA Cc1cc(Br)cn2c(CN[C@H]3CCOC4(CC(C(=O)O)C4)C3)cnc12 2325829688 PUNPKEGPAQMMDI-FHBSJOOWSA-N 408.296 2.907 0 50 HFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2F)cc1 1119279 JMFIQCIRIULZJO-UHFFFAOYSA-N 401.257 2.814 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 2760493 IDBXGJGFORASHA-UHFFFAOYSA-N 416.425 2.716 0 50 HFAA CC(=O)Nc1ccc2c(c1)OCCSCCOCCOCCSCCO2 4566365 OFBZTQNPQOAXRH-UHFFFAOYSA-N 401.550 2.916 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C)n3)cc2)CC1 12090129 YTABNYNTBSUBQK-UHFFFAOYSA-N 417.531 2.788 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2sc(C)nc2C)CC1 12093261 LHUKTCVGAAHQMS-SFHVURJKSA-N 406.596 2.993 0 50 HFAA COCCNC(=O)CCC1CCN(C2CCN(CCc3ccccc3)CC2)CC1 12835106 WAYPWCHDFGOSRE-UHFFFAOYSA-N 401.595 2.948 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H](C)CSC)CC2)C1=O 14533328 CFBJAHHPBSEGIB-KRWDZBQOSA-N 405.564 2.683 0 50 HFAA O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20493979 VJGQXQDJBSQUJB-UHFFFAOYSA-N 400.909 2.637 0 50 HFAA Cc1ccn2c(CNCCSc3ncn[nH]3)c(C(=O)N3CCCCCC3)nc2c1 20913043 WEMKEVMFEXTQDA-UHFFFAOYSA-N 413.551 2.659 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 21795226 UCBDASHTIPWXNI-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccccc2)CN1Cc1ccccc1Cl 22915883 IULSMXQWBQTVCS-CTNGQTDRSA-N 401.938 2.835 0 50 HFAA CCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(C)n1 38149379 IDMFNSQOTYUUHE-JOCHJYFZSA-N 400.567 2.906 0 50 HFAA O=C(NC1CCNCC1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67688794 JHVMXKHWBISREZ-GOSISDBHSA-N 405.546 2.717 0 50 HFAA CN(Cc1ccncn1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71419232 PJZDLIXIEOMWPF-XMMPIXPASA-N 400.482 2.982 0 50 HFAA O=C(NCC1CCOCC1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82109349 WHQAGXXUFBHUHG-HSZRJFAPSA-N 413.606 2.948 0 50 HFAA CC(=O)N[C@H](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccs1 229799932 GCVRGVRARURJEJ-GRDNDAEWSA-N 402.520 2.963 0 50 HFAA Cc1cc(Cl)cc(C)c1CNC[C@@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1 328605749 OZGFWRUWJCMBHC-QGZVFWFLSA-N 416.953 2.978 0 50 HFAA O=C(Cc1ccc(-n2cccn2)cc1)NS(=O)(=O)c1ccc(Br)cc1 916751056 DZQANGIDKSFMPV-UHFFFAOYSA-N 420.288 2.682 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 952970146 CHNMQQXEZUFYHH-UHFFFAOYSA-N 410.493 2.812 0 50 HFAA COC1(C(=O)N[C@H](C)c2ccccc2-n2cccn2)CCN(c2cnccn2)CC1 1857711063 ZBWSHFYFTZNWMQ-QGZVFWFLSA-N 406.490 2.525 0 50 HFAA CC(C)c1ocnc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857713187 KHGBVJLCWGONRY-FPOVZHCZSA-N 413.518 2.837 0 50 HFAA O=C(NS(=O)(=O)CC[C@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819850 RWVJDXQRDADSLG-UHOFOFEASA-N 416.337 2.815 0 50 HFAA Clc1ccccc1CN1CCN(c2nccn3c(-c4cnccn4)nnc23)CC1 2325825512 SHVWRJFLTSOKEQ-UHFFFAOYSA-N 406.881 2.557 0 50 HFAA CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nccn3C)CN2CC2CCCCC2)CC1 12246540 KHYDPOVSUZHTMP-UXHICEINSA-N 419.639 2.700 0 50 HFAA O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccccc2)CC2CCC2)C1 12301515 BCRVSOJTRHRCBC-VXKWHMMOSA-N 400.544 2.723 0 50 HFAA CO[C@H]1CN(Cc2ccccc2)C(=O)CN(C(=O)c2cc(-c3ccccc3)on2)C1 14530857 KGGQUJJUCDAWFA-IBGZPJMESA-N 405.454 2.841 0 50 HFAA CCN1CCC[C@H]1CN(Cc1cccc2nonc12)CC1CCN(CCOC)CC1 23358301 SWRVZGIGLRRMBT-NRFANRHFSA-N 415.582 2.868 0 50 HFAA COc1cc(CN(C)CCN(C)C)ccc1OC[C@H](O)CN(C)C1CCCCC1 23361248 GSUYCLCMJUTGFO-OAQYLSRUSA-N 407.599 2.693 0 50 HFAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCC(Cc2ccccc2F)CC1 55576250 IAAKRLKWFSAAJC-NRFANRHFSA-N 413.493 2.591 0 50 HFAA CCc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 64800200 RLYYPLVPTRCEGY-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1 100001820 NDEXUOWTGYUVGA-LJQANCHMSA-N 419.489 2.651 0 50 HFAA investigational C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCCN4CCCCC4)c(=O)n1c23 100663173 UKMKUQHDWJPJRJ-AWEZNQCLSA-N 401.482 2.959 0 50 HFAA CC(C)Oc1ccc(CNC(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)cc1 169768958 PKXNIZUPYFHZHP-UHFFFAOYSA-N 403.442 2.802 0 50 HFAA CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)CC1 169769364 YGVZMFQQSVLGTN-GOSISDBHSA-N 408.462 2.634 0 50 HFAA Cc1cc(C(=O)/N=c2/sccn2Cc2ccccc2F)cc(S(N)(=O)=O)c1C 170644195 VCSDBVQWUIDSNK-ZBJSNUHESA-N 419.503 2.742 0 50 HFAA COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)Cc2ccc(C)c(O)c2)CC1 225838796 GYIZCWWHMOHDCN-UHFFFAOYSA-N 415.490 2.684 0 50 HFAA CCc1nc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)no1 426379612 DGIPDVUULBCNFW-UHFFFAOYSA-N 401.492 2.787 0 50 HFAA COCC(=O)N[C@H]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 1857687341 SNEPXWYDICLYOP-WBVHZDCISA-N 407.942 2.991 0 50 HFAA O=C(N[C@@H](CNC(=O)C1CC=CC1)c1ccc2ccccc2c1)c1cnnc(O)c1 1875358764 JDWUUQYHNHOVHC-FQEVSTJZSA-N 402.454 2.889 0 50 HFAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1 2100483414 RSXXPQIVENEVQE-UHFFFAOYSA-N 410.518 2.507 0 50 HFAA Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 1114643 JAXJQHHPYDCQQL-ROUUACIJSA-N 422.572 2.776 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O 2064846 DZCBNPGOQTYGRE-UHFFFAOYSA-N 404.488 2.830 0 50 HFAA COc1cc(OC)c(NC(=O)CSc2nnc(NC(C)=O)s2)cc1Cl 2860678 YHSVRNBMGLABFI-UHFFFAOYSA-N 402.885 2.898 0 50 HFAA CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 2868709 JDPPPWKHCKMGLF-KRWDZBQOSA-N 408.410 2.639 0 50 HFAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)CCC(=O)N(C)C)C2 11870847 KWAUQIQPFRDCKO-KRWDZBQOSA-N 424.497 2.737 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCn2cnnn2)C1)Nc1ccc(C(F)(F)F)cc1 11934656 KZUIDBZBNNCJLR-CQSZACIVSA-N 424.427 2.740 0 50 HFAA COC(=O)c1cc(CNC(=O)c2ccc(=O)oc2)cc(NC(=O)Cc2ccccc2)c1 12037615 MFUQDOZNDRDLCL-UHFFFAOYSA-N 420.421 2.538 0 50 HFAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2cccc(C)n2)c1=O 12247131 ARGAQZCLVPHYEY-UHFFFAOYSA-N 410.518 2.812 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NCc2cn3ccsc3n2)o1 12445227 COWQOOJYYSSYRT-UHFFFAOYSA-N 411.487 2.822 0 50 HFAA COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 13841185 YKOQPZAGEVSXMM-UHFFFAOYSA-N 409.508 2.538 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cnc3ccccc3c1)C2 14539797 SFSUQSJVFZROKG-GOSISDBHSA-N 421.570 2.804 0 50 HFAA CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn12 20745283 HSQYPKQEAVBCHC-IBGZPJMESA-N 413.503 2.532 0 50 HFAA COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1 32103873 CJJXTFHFLRJXQF-SFHVURJKSA-N 422.533 2.832 0 50 HFAA O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 46453829 FUPMKOKDSDESPB-AWEZNQCLSA-N 402.607 2.941 0 50 HFAA CC(C)Cn1c(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)cnc1S(C)(=O)=O 55166449 ZODPBJFURDANBC-IBGZPJMESA-N 417.575 2.966 0 50 HFAA O=C(Cn1cc2ccccc2n1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 55575453 VPIZGVTTYDARSR-JOCHJYFZSA-N 403.530 2.850 0 50 HFAA Cc1cccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2ccccc2Cl)c1 64120788 QEFWNBXVBQJPFK-QUCCMNQESA-N 410.909 2.767 0 50 HFAA COc1cc2c(cc1NS(C)(=O)=O)[C@@H](c1cccc3nsnc13)CC(=O)N2 65435060 QOZIVSFQBPNVLI-SNVBAGLBSA-N 404.473 2.546 0 50 HFAA COc1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)ccc1OC1CCN(C(C)=O)CC1 77338294 YKZOUCNTBOOUNW-QGZVFWFLSA-N 404.507 2.772 0 50 HFAA CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CCCOC1 225550893 UDLVKYXYVVLQQL-CQSZACIVSA-N 400.313 2.984 0 50 HFAA COc1ncccc1NC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409414470 RHBYFYZTSJRIJE-LJQANCHMSA-N 416.437 2.928 0 50 HFAA Cc1c(Br)ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1F 684049731 GGWRXJPRTUCUFC-UHFFFAOYSA-N 413.268 2.747 0 50 HFAA O=C(COC(=O)c1ccc2nncn2c1)N[C@H](Cc1ccccc1)c1ccccc1 725930836 CLFZHQCLBHCGKZ-HXUWFJFHSA-N 400.438 2.986 0 50 HFAA O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1CCC(O)(c2nn[nH]n2)CC1 819621042 WCHAOTCDZLEMOD-UHFFFAOYSA-N 418.432 2.678 0 50 HFAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 1772501704 ZTQPCDAGNHDGLP-DVECYGJZSA-N 412.530 2.735 0 50 HFAA CSCC(=O)N1C[C@H]2CN(C(=O)c3[nH]cnc3C)C[C@@]2(CCc2ccccc2)C1 1772707604 WGKMYAMVTQYCTP-PGRDOPGGSA-N 412.559 2.615 0 50 HFAA Cc1ccc2nc(N3C[C@H](C(=O)NCCCOc4cccnc4)CC3=O)sc2c1 1857668576 KVQNGIGHGKHXCZ-OAHLLOKOSA-N 410.499 2.938 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857674299 BZKYQRRWVZODLN-LEEZEASISA-N 419.529 2.658 0 50 HFAA O=C(NCCc1cnn(-c2ccccc2)c1)N[C@@H](CO)c1cc(F)c(F)c(F)c1 1875253045 CAXQUOGHVPHQBG-SFHVURJKSA-N 404.392 2.865 0 50 HFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)ccc2N1 1875262158 ZDGDCELHKHJEAP-NZQKXSOJSA-N 412.461 2.644 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H](n2cc(-c3cncs3)nn2)C1 1875326262 DWYMVGZJCSFUNK-OAHLLOKOSA-N 411.487 2.896 0 50 HFAA CN(C)C(=O)CCCn1ccc(=NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]1 2325819358 CAEGBLLIOJJPJV-JKSUJKDBSA-N 419.323 2.678 0 50 HFAA CCOCCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(OC)c1 2356157646 PHQVRXWWSQIGMF-WAGURGNTSA-N 414.546 2.892 0 50 HFAA O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 4247850 RMWIXUKKMWZLPB-JOCHJYFZSA-N 417.509 2.875 0 50 HFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 4904430 DYWSPIFIAADJFA-NRFANRHFSA-N 413.449 2.685 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697212 UBGXMRYZVFBZDX-UHFFFAOYSA-N 418.501 2.824 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNC3CCCCC3)cc2)CC1 12439068 JNZKPCNPXSQASE-NRFANRHFSA-N 404.551 2.734 0 50 HFAA COC(=O)CSc1cc(/N=c2\sc(=O)n3n2CCCC3)c(F)cc1Cl 13831530 ZCNQYNHDVRPZIH-JXAWBTAJSA-N 403.888 2.795 0 50 HFAA in-vitro CN(Cc1cnn(C)c1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 14882523 NTMMUXLLKGKHPE-OAQYLSRUSA-N 405.502 2.548 0 50 HFAA Cc1c(C(=O)N2CCC(CO)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 15006324 CJYLZGOVSJLJCK-UHFFFAOYSA-N 403.486 2.581 0 50 HFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCC2CCCC2)c1 15072319 QYIZTMWOIQZIGM-JOCHJYFZSA-N 420.594 2.952 0 50 HFAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)no1 19835564 XLNKXSBRSHVCPH-OAQYLSRUSA-N 424.545 2.960 0 50 HFAA CCCn1c(=O)c(C(=O)Nn2c(CC)nc3ccccc3c2=O)c(O)c2ccccc21 100675010 BTKCEVBDDPOOKT-UHFFFAOYSA-N 418.453 2.773 0 50 HFAA Cc1scnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299802596 ZOKFYCUJILTOFJ-IBGZPJMESA-N 419.522 2.861 0 50 HFAA COc1ccc(OC)c([C@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)c1 1506405860 OGGILFMQHRRCIL-HXUWFJFHSA-N 406.429 2.926 0 50 HFAA COc1cccc2c1OCCCN(CC(=O)Nc1nnc([C@@H]3CCCO3)s1)C2 1506415819 QETJQSYFQWAGOI-HNNXBMFYSA-N 404.492 2.621 0 50 HFAA C[C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)c1nnc(O)c2ccccc12 1506421185 ZISINVGWVZBOEO-OAHLLOKOSA-N 404.470 2.878 0 50 HFAA CN1C(=O)N(C)C2(CCN([C@@H](C(=O)O)c3cccc(-c4ccccc4)c3)CC2)C1=O 1506426319 GAIYSLHBWRKBIY-LJQANCHMSA-N 407.470 2.838 0 50 HFAA O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCC[C@H](NC(=O)CCC(F)(F)F)C1 1857687376 UTTVYKGROJJOOK-KGLIPLIRSA-N 411.428 2.565 0 50 HFAA Cc1cccn2cc(C(=O)N3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)nc12 1857727631 VUURMQFZEZDJKS-YYDVJCTNSA-N 402.454 2.557 0 50 HFAA CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)C1CCOCC1 1875306259 YNFRHAHGQSKUHQ-ABXWHYIOSA-N 410.555 2.754 0 50 HFAA CO[C@H](CNC(=O)Cn1cc(-c2csc(C(=O)O)c2)nn1)c1ccc(C)cc1 1875355364 HTSFGSRZMARTSI-MRXNPFEDSA-N 400.460 2.517 0 50 HFAA O=C1CC[C@@H](N2Cc3c(cccc3-c3ccc(N4CCCCC4=O)cc3)C2=O)C(=O)N1 1875356580 QYCQSSPTVFUQQL-HXUWFJFHSA-N 417.465 2.632 0 50 HFAA C[C@H](OCC1CC1)C(=O)N1CCC([S@](C)(=O)=NC(=O)c2occ3c2CCC3)CC1 2332238661 HDCSELNFHHJQKY-MMEWPQADSA-N 422.547 2.812 0 50 HFAA CCc1sc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Br 1054857 JKESTQGLGNNKBW-UHFFFAOYSA-N 417.350 2.693 0 50 HFAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2OCC)C1 1067654 VEFLHQIJGITVDB-GFCCVEGCSA-N 420.325 2.812 0 50 HFAA O=C(c1ccccc1OC1CCN(Cc2ccccn2)CC1)N1CCC[C@@H](CO)C1 11667789 UCGFHALQCHOWFK-LJQANCHMSA-N 409.530 2.970 0 50 HFAA Cc1c(C(=O)NCC[C@@H]2CCCN2C)cnn1-c1nccc(-c2ccccc2F)n1 12021486 APXIAPBUKDTCMN-INIZCTEOSA-N 408.481 2.991 0 50 HFAA CCC(=O)N1CCN(c2cccc3c2C(=O)N(CCc2cccc(OC)c2)C3=O)CC1 12152672 JWAHRRLDUMHKCU-UHFFFAOYSA-N 421.497 2.593 0 50 HFAA O=C(N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1)C1(c2ccccc2)CC1 12574359 QYNQQWMXIKTEMZ-INIZCTEOSA-N 404.557 2.997 0 50 HFAA C[C@H](CCn1cccn1)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12589375 IXWPMMSKNJMOCW-QGZVFWFLSA-N 410.518 2.872 0 50 HFAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CN2CCOC2=O)C1 12836310 PDYNTRRLZRBBKT-MOVYNIQHSA-N 400.475 2.714 0 50 HFAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)Cc1ccsc1)CC2 14534062 DRJLWKFHDONQGX-UHFFFAOYSA-N 414.453 2.726 0 50 HFAA CC(C)CCn1cc(C(=O)NCCc2ccccn2)c(=O)c(C(=O)NC2CCCC2)c1 15001496 WFYDNSFIZASXRB-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA CN(CC(=O)Nc1ccc(Cl)cn1)S(=O)(=O)c1ccc(Br)cc1 16623832 USLDCHNDPRDEKC-UHFFFAOYSA-N 418.700 2.757 0 50 HFAA Cc1c(NC(=O)c2ccc(CN3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C 19800443 KCXMHHFPTYAVSP-UHFFFAOYSA-N 406.486 2.569 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 20450607 JOTRJVXGRKVZBP-ZDUSSCGKSA-N 401.417 2.699 0 50 HFAA COc1ccc(CN2CCCN(C)CC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 20782398 IYXXQQVPTXUYLC-QFIPXVFZSA-N 419.610 2.839 0 50 HFAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1Cc1cccc(Cl)c1 23363185 GPLJESZNHDEDAR-RTWAWAEBSA-N 407.002 2.835 0 50 HFAA CN(Cc1ccc(F)cc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55108181 AHRUNYPWLJYENV-IBGZPJMESA-N 421.875 2.967 0 50 HFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 71751981 JWOOQOYSOCVGAL-GOSISDBHSA-N 421.545 2.672 0 50 HFAA CCC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77539123 BOJPMVDAYMWTBV-LBPRGKRZSA-N 408.549 2.968 0 50 HFAA CCSCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82120855 VCGLMUGFUOONPN-GOSISDBHSA-N 418.607 2.544 0 50 HFAA CCOC(=O)c1nc(C2CCN(C(=O)CCc3ccccc3OCC)CC2)n[nH]1 225530764 JBXYBXXAINFJRF-UHFFFAOYSA-N 400.479 2.719 0 50 HFAA O=C(NC1(c2cccc(F)c2)CCOCC1)C1CCN(C(=O)N2CCCC2)CC1 464554761 NZHBTICGABDEPV-UHFFFAOYSA-N 403.498 2.875 0 50 HFAA O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](O)c1ccc(Cl)cc1 813481253 CFTFFUJANWZTBZ-GDBMZVCRSA-N 403.784 2.948 0 50 HFAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1COC[C@H]1Cc1ccncc1 1616069615 OTNLEKSWYRLZAL-AEFFLSMTSA-N 400.500 2.709 0 50 HFAA O=C(CN1Cc2ccccc2C1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857727187 MQMPVPRVYPXSBZ-XMMPIXPASA-N 404.514 2.882 0 50 HFAA O=C(O)c1nccnc1-c1cn(C[C@@H]2CCCN2C(=O)C2(C3CCCCC3)CC2)nn1 1875355755 PFDUHTJRBIBIJV-INIZCTEOSA-N 424.505 2.785 0 50 HFAA O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1940197114 SMSKCQAQGRRUQN-LAUBAEHRSA-N 400.500 2.817 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccccc2)cc1I 1111109 ISKNOHFZJFYRCR-UHFFFAOYSA-N 403.241 2.778 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 1124338 CMRTYAUYWZLMHF-UHFFFAOYSA-N 415.405 2.917 0 50 HFAA CN(Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)Cc1cnn(C)c1 12299496 RTLNTHAGLGCOHX-DEOSSOPVSA-N 420.557 2.850 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 13009180 CZYBPUICLUPAIF-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA COc1cccc(CN2C[C@H](OCc3c(C)noc3C)CN(CC3CC3)CC2=O)c1 14542690 DYNFLQLGNSCWRM-OAQYLSRUSA-N 413.518 2.940 0 50 HFAA COc1ccc(-c2n[nH]cc2CNC[C@@H](c2ccncc2)N2CCOCC2)c(F)c1 20914752 DOMBSBJSVCODSM-NRFANRHFSA-N 411.481 2.783 0 50 HFAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 35031930 IEFLQJYSYFXCQH-UHFFFAOYSA-N 408.911 2.920 0 50 HFAA O=C(NCc1ccncn1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82127384 CEUKSRSKPYBDNA-OAQYLSRUSA-N 407.562 2.512 0 50 HFAA C[C@@H]1NC(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)=NN(c2ccccc2)C1=O 242339291 ZGOVQTQNSHTUCC-GHJWDPDVSA-N 400.841 2.790 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)o1 466544352 NOGYUJCJZBQARC-ZDUSSCGKSA-N 402.394 2.686 0 50 HFAA O=C1NC[C@@H](COC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)O1 801222616 FLWFCFKFFCTDSP-AWEZNQCLSA-N 420.347 2.947 0 50 HFAA Cc1sc2ncn(NC(=O)COCc3ccnc(O)c3)c(=O)c2c1-c1ccccc1 1348171774 RCPTZLDSNRSRNO-UHFFFAOYSA-N 422.466 2.821 0 50 HFAA CCc1ccccc1OC1CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)C1 1506416626 CWSNRJGMJZDQED-JOCHJYFZSA-N 421.541 2.538 0 50 HFAA CSc1ccc(C(=O)N2CCC[C@@]3(C(=O)N4CCCC4)CCN(C)C[C@H]23)cc1 1775982588 AIUPXOIVCSNWQF-SIKLNZKXSA-N 401.576 2.957 0 50 HFAA O=C1NCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)[C@@H]1c1ccccc1Cl 1875259148 UEMGVEHFBPDZLI-QGZVFWFLSA-N 416.268 2.887 0 50 HFAA CCN=c1cc(-c2cn(CC(=O)N3CCC(Cc4ccccc4)CC3)nn2)cc[nH]1 1875318890 YLLVMWAHEQKSPD-UHFFFAOYSA-N 404.518 2.675 0 50 HFAA O=C(Cn1ncc(=O)c2ccccc21)N[C@H]1C[C@@]12CCc1cc(Br)ccc12 2325818653 PHVXUBSZIAQVQM-PZJWPPBQSA-N 424.298 2.932 0 50 HFAA CN1CCN(C2CCN(c3ncnc4c3c(Br)cn4C3CC3)CC2)CC1 2325824908 VCMVUSWLMNXBMV-UHFFFAOYSA-N 419.371 2.745 0 50 HFAA CCOc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 637702 SOWXZZAYZYZXPX-UHFFFAOYSA-N 405.458 2.624 0 50 HFAA biogenic O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 715639 VUEJZNOQLCSHIS-UHFFFAOYSA-N 413.543 2.824 0 50 HFAA CCOC(=O)c1c(C)n(C)c2cccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c12 1061030 DSWMJYBTPLQDFG-UHFFFAOYSA-N 420.421 2.865 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCCC1 1108590 LXJPXGSLTUPFTH-UHFFFAOYSA-N 402.516 2.947 0 50 HFAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 12030167 ZPVJJVSZOYBMTI-GOSISDBHSA-N 407.449 2.962 0 50 HFAA CCOC(=O)N1CCC(N[C@@H]2CCC(=O)N(Cc3ccc(OC)cc3)CC2)CC1 12219114 GJUUNMPOHGVBHL-GOSISDBHSA-N 403.523 2.787 0 50 HFAA Cc1ccccc1N1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1 12446677 FRWWZEJAHDOVFH-UHFFFAOYSA-N 404.580 2.963 0 50 HFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCCC1 12835640 SZJQMWLWHKNGBO-NRFANRHFSA-N 418.601 2.914 0 50 HFAA Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)c1 20504040 ZZAICHNUDNPCEU-UHFFFAOYSA-N 408.502 2.774 0 50 HFAA CCCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](CC)C(=O)OCC 170612011 YJTXCSHVLTURTR-HXUWFJFHSA-N 417.550 2.593 0 50 HFAA O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NC[C@H]1CCCOC1 170649004 LQZZHSPMXBCECF-MRXNPFEDSA-N 406.479 2.712 0 50 HFAA O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(C(=O)OC[C@@H]2CCCN2)c1 170676797 XFCSWGMYLIWRRH-SFHVURJKSA-N 405.454 2.549 0 50 HFAA CSCC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 252508986 YAEKCQWOBAAVEN-GOSISDBHSA-N 407.499 2.883 0 50 HFAA C[C@@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1 253428373 CWWVGQXXOAFQRQ-ROUUACIJSA-N 411.587 2.744 0 50 HFAA O=C1NCC2(CN(C(=O)CSc3cn(Cc4ccccc4)c4ccccc34)C2)N1 426361272 WHUMUAKNUZQQIP-UHFFFAOYSA-N 406.511 2.676 0 50 HFAA CCCCSCc1cc(C(=O)N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(CO)C2)oc1C 1772704488 UDSUGJSKRNUIFB-PGRDOPGGSA-N 420.575 2.924 0 50 HFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)O1 1857697973 RZIMGEHGGCAJED-CRAIPNDOSA-N 402.491 2.542 0 50 HFAA Cc1nc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(c3cnc4ccccc4n3)CCO2)no1 1857733018 RECQWPXPJXESEN-YPGOJHLTSA-N 406.490 2.724 0 50 HFAA COC(=O)COc1ccc(CCNC(=O)Nc2nc3ccc(OC)nc3s2)cc1 1875337375 SZQSZTBXXSNIKF-UHFFFAOYSA-N 416.459 2.616 0 50 HFAA Cc1ccnc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 755402 JCNWOKRDGVYXPF-UHFFFAOYSA-N 410.433 2.928 0 50 HFAA CC(=O)Oc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1136270 GHTQPSUAIXWCMN-HNNXBMFYSA-N 408.410 2.639 0 50 HFAA CC1(C)Cc2c(sc(NC(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 6754851 AZTQGIGXVPWAMW-UHFFFAOYSA-N 403.504 2.725 0 50 HFAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@@H](O)C1 11817984 ZMJJEYVJAAXDRX-XMMPIXPASA-N 413.606 2.779 0 50 HFAA CC[C@@H](C)CN1CCc2c(C(=O)OC)c(OCCc3ccccn3)cc(=O)n2CC1 12051897 RBLSFYIADSMERI-QGZVFWFLSA-N 413.518 2.556 0 50 HFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(C[C@H]1CC=CCC1)CC2 12056708 WBIJQJJTVIOAEZ-SFHVURJKSA-N 423.513 2.823 0 50 HFAA COc1cc(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)cc(OC)c1OC 12715790 BWIBDIHLUXBHIC-UHFFFAOYSA-N 416.865 2.936 0 50 HFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCOCC2)cc1 20513038 FMRHTJNWDRRDTR-UHFFFAOYSA-N 414.458 2.575 0 50 HFAA Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(F)cc1 40396997 PTKIBBVVUFJKBP-UHFFFAOYSA-N 414.400 2.938 0 50 HFAA COc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2cccn2)CC1 67605257 AOVXFPSCUGWBBR-LJQANCHMSA-N 406.534 2.792 0 50 HFAA O=C1CCCc2occ(C(=O)N3CCc4nnc(CCc5ccccc5)n4CC3)c21 67907977 KPSWXTJKTHTINH-UHFFFAOYSA-N 404.470 2.874 0 50 HFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72115827 IVUNGFWNVDQWEW-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)cs1 77456351 CMUOYSUMOMSCNJ-NYUBLWNDSA-N 413.474 2.536 0 50 HFAA O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 165865640 JMQHDPGEFRNBMV-YOEKFXIASA-N 405.498 2.551 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)[C@@H](C)Oc4ccccc4)n3n2)cc1 169750961 KNBAHOCISJWIHC-OAHLLOKOSA-N 403.442 2.884 0 50 HFAA CCOc1cc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC 170592040 OAWURKCEFIBCDH-RDTXWAMCSA-N 403.928 2.573 0 50 HFAA Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cn1C 170626560 ZPOFEMSQUYOFSR-ROUUACIJSA-N 421.563 2.665 0 50 HFAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC[C@@H]3C(=O)O)cc2c1C 225617770 SYRXKJFLYALGJI-OAHLLOKOSA-N 409.460 2.936 0 50 HFAA NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 247756517 WLZDLXMOFQHVCY-ROUUACIJSA-N 414.893 2.951 0 50 HFAA O=C(Cc1ccccc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 247876935 UGVSYIDORKDYPC-FZNQNYSPSA-N 401.898 2.666 0 50 HFAA O=C1CO[C@H](CNc2ccnc3ccccc23)CN1CC1CCN(CC2CC2)CC1 299784039 NYXYFUIVSZVCPV-HXUWFJFHSA-N 408.546 2.996 0 50 HFAA O=c1cc(N2CCOCC2)cnn1[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 328607727 WUNKFRTYSIMSBK-MRXNPFEDSA-N 406.889 2.710 0 50 HFAA CC(C)c1nc(NC(=O)[C@@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)n[nH]1 409413130 DICPNCWALMJPIS-QGZVFWFLSA-N 418.457 2.766 0 50 HFAA COc1cc(C(=O)N2CC(OCc3cccc4ccccc34)C2)ccc1OCC(N)=O 467476283 SFJPNQBSCNOSHK-UHFFFAOYSA-N 420.465 2.754 0 50 HFAA C[C@@]1(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)NC(=O)NC1=O 487462727 PIYSFKQORCMVAC-NRFANRHFSA-N 419.547 2.733 0 50 HFAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 952979350 MHTNPCHPNIYWJT-HXUWFJFHSA-N 414.527 2.599 0 50 HFAA CCOc1ccccc1N1CCN(Cc2cc(=O)n3nc(SC)sc3n2)CC1 1506427609 OCPGKMDMCXBLIQ-UHFFFAOYSA-N 417.560 2.594 0 50 HFAA C=CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 1875383231 LXVVPAMARTZDIW-MRXNPFEDSA-N 417.893 2.889 0 50 HFAA O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cccc([C@@H](O)C(F)(F)F)c1 2325852195 VZNQJWNDKWMCAV-CQSZACIVSA-N 414.409 2.840 0 50 HFAA CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 1147922 OJPZKNCPDWZNFY-UHFFFAOYSA-N 421.494 2.616 0 50 HFAA CCOc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 1204146 KXGLBROYBOHGKR-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1)C(=O)NC1CCCCC1 4414057 GYDPAHZIRBDYEU-MRXNPFEDSA-N 417.531 2.776 0 50 HFAA COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4764023 UKSHMMNPSXEPKW-PMACEKPBSA-N 410.470 2.688 0 50 HFAA COc1ccc(OC)c(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)c1 11783246 QVLZNERDFBBTPZ-UHFFFAOYSA-N 413.522 2.759 0 50 HFAA COc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 11866001 HWLNIOKMHRFYQW-LJQANCHMSA-N 407.514 2.829 0 50 HFAA CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O 12197525 HWRFIGLXOUSNLO-ROUUACIJSA-N 414.449 2.571 0 50 HFAA Cc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1C 12462252 ZMQRIMSLOZISGM-UHFFFAOYSA-N 400.438 2.803 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cnc(OC)nc4)C3)C2)c1 12707302 ZGMZGZCTRPBDKR-QFIPXVFZSA-N 414.481 2.761 0 50 HFAA Cn1ncc2c1ncn1nc(C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)nc21 13959967 OMCDYZUIGFQUJT-ORMMXULVSA-N 409.885 2.503 0 50 HFAA O=C(Cc1cccc(Cl)c1)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 14990792 FSABYTRMLOZMSO-KRWDZBQOSA-N 415.925 2.649 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 15073058 BNYYTKANVICBDJ-HNNXBMFYSA-N 417.893 2.791 0 50 HFAA COc1cc(-c2nc(CN3CCC(N4CCNC(=O)CC4)CC3)c(C)o2)ccc1F 20706506 LTPAPZHIXJPAAU-UHFFFAOYSA-N 416.497 2.584 0 50 HFAA CC(C)N1CCN([C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)CC1 23354143 UBFSVVRORGQCGM-OAQYLSRUSA-N 421.589 2.502 0 50 HFAA NCC(=O)N1CCOc2c(O)cc(-c3ncc(C(F)(F)F)cc3Cl)cc2C1 67880501 CZKRPRWZWDQDCT-UHFFFAOYSA-N 401.772 2.806 0 50 HFAA Cc1cccc(NC(=O)N2CCC(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)CC2)c1 170602677 DVXDRHZJOJMVSH-SFHVURJKSA-N 416.566 2.543 0 50 HFAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239135328 LBSIMHOZLIGMKS-IQAXHZPKSA-N 404.466 2.758 0 50 HFAA N[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 244595016 DMXWRNSWEQLEGV-RJGXRXQPSA-N 412.622 2.792 0 50 HFAA Cc1ccc(-c2nn3ccn(C[C@H]4COc5ccccc5O4)c(=O)c3c2CO)cc1 263616400 ILSMIRDRJGFFFE-KRWDZBQOSA-N 403.438 2.804 0 50 HFAA NC(=O)c1cc(C(=O)N[C@H](CC(=O)O)c2cccc(Cl)c2)nn1-c1ccccc1 776676909 JUMMRHPWTRYDMO-OAHLLOKOSA-N 412.833 2.570 0 50 HFAA O=C(CN1C(=O)CCOc2ccccc21)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782538529 FBNVCWJJWXNKGI-CQSZACIVSA-N 422.407 2.881 0 50 HFAA CC(C)CN1CCN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)C[C@@H]1CCO 1704335271 MHXQQJVXYRLKOH-FQEVSTJZSA-N 422.533 2.984 0 50 HFAA O=C(NC[C@H]1Cc2ccccc2CN1c1nccnc1F)c1cccc2[nH]ncc12 1875389230 GTHUQRDNWWDGLW-MRXNPFEDSA-N 402.433 2.853 0 50 HFAA COc1cccc(-c2cnc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)[nH]2)c1 2356150849 CEPJNFPBOLKJQH-AWEZNQCLSA-N 414.487 2.879 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(COC)o2)CC1 12300871 SQSSITGODUVPED-GOSISDBHSA-N 405.539 2.659 0 50 HFAA COc1ccc(-c2cn3c(C(=O)N4CCN(C)C(=O)[C@@H]4C)csc3n2)cc1F 12304733 HCFZWEOSZNQLPM-NSHDSACASA-N 402.451 2.513 0 50 HFAA Cc1ccsc1C(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 13593117 FLEUMRKSQWTZAJ-IBGZPJMESA-N 419.591 2.668 0 50 HFAA COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)CN1CCOCC1 13956492 GWTRFFZMOFKOHG-UHFFFAOYSA-N 403.866 2.872 0 50 HFAA CSCCC(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1 14532526 PTVVMXPNEDLKAB-UHFFFAOYSA-N 415.563 2.502 0 50 HFAA O=C1CCCN1C[C@H]1CCCN(c2nc3nonc3nc2NCc2cccs2)C1 14973114 HLSXJRAFYNHZKT-CYBMUJFWSA-N 413.507 2.525 0 50 HFAA NC(=O)c1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1 17138460 CPOUJZWZCROKKO-UHFFFAOYSA-N 419.466 2.787 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC 17142513 VHXQZFORACMZMV-SJBKTWHCSA-N 416.426 2.879 0 50 HFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2ccncc2)CC1 19148767 SGUOAOGXDOMSDT-UHFFFAOYSA-N 406.534 2.924 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1cccs1 19799962 MGDDIOLFJYPEQY-IUYQLWOBSA-N 414.483 2.609 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860259 VELWKZYPGPOFPA-MRXNPFEDSA-N 407.923 2.593 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860262 NIQLZDAOGAQLRJ-KRWDZBQOSA-N 407.923 2.593 0 50 HFAA Cc1cccnc1CN1CCN(C(=O)CCc2nnc(CCc3ccccc3)o2)CC1 20534119 AZNNKCPUGXPTTD-UHFFFAOYSA-N 419.529 2.835 0 50 HFAA C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1cccc2ccccc12 72441419 NSMQWOMEEYHHBY-PXNSSMCTSA-N 417.575 2.653 0 50 HFAA Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)c1C 169752538 KYZKPOKTPQEIEG-UHFFFAOYSA-N 402.454 2.911 0 50 HFAA C[C@H](NCc1ccccc1CN1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1 225509919 NNAPAUJHAUOOLJ-KRWDZBQOSA-N 403.567 2.988 0 50 HFAA CCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 245284977 VPNMRGOVRUIYRB-MORSLUCNSA-N 401.459 2.895 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1 263615475 CQAUNYXQLPMJCH-NRFANRHFSA-N 421.476 2.960 0 50 HFAA COc1cccc2ccc(CN3CCn4nc(CNc5ncccn5)cc4C3)nc12 426584162 XEKKVGOCAPBVOY-UHFFFAOYSA-N 401.474 2.858 0 50 HFAA Cc1ccc([C@H](NC(=O)c2cc3ncc(CCO)cn3n2)c2cccnc2)cc1C 670454840 UYCGECXNNXBWNX-QFIPXVFZSA-N 401.470 2.795 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@@]3(CCc3ccccc3)C2)c(C)o1 1772811466 WVAUQGHOSJNRMX-DENIHFKCSA-N 416.543 2.863 0 50 HFAA CCS(=O)(=O)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@@H]2C1 1775988549 VBNNXPSSJVPESL-SMDDNHRTSA-N 400.426 2.509 0 50 HFAA CCOc1cc(N2CC[C@@H]3CN(C(=O)COc4cc(C)ccc4F)C[C@@H]3C2)ncn1 1875332057 BAHQLAVEHCNQMN-SJORKVTESA-N 414.481 2.687 0 50 HFAA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(N)=O 826062 LGRQNAGPQPSKFI-UHFFFAOYSA-N 422.528 2.559 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(Oc2ccccc2)cc1 832114 SMZJFLBOAPTONZ-UHFFFAOYSA-N 411.483 2.956 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1O[C@@H](C)C(=O)N[C@H](CCSC)C(=O)OC 3471484 FKBIMYKSGZVXQT-XJKSGUPXSA-N 421.515 2.842 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)O 4026629 PIFDTDZOSWFTGB-GOSISDBHSA-N 409.438 2.855 0 50 HFAA biogenic COc1ccc(C(=O)N2CCC[C@](CO)(CCOc3ccccc3)C2)c(OC)n1 11769565 CMLYBDHEYQBBMZ-QFIPXVFZSA-N 400.475 2.783 0 50 HFAA Cc1ccc(F)cc1CNC(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12057684 UFYDRJRVMXDCKE-SFHVURJKSA-N 401.526 2.863 0 50 HFAA C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380783 PHKYUQSNJWTUMM-LLVKDONJSA-N 412.414 2.529 0 50 HFAA C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc(O)cc1)CC2)c1ccccc1 14752120 WMIVRUDLOHXLOR-KRWDZBQOSA-N 420.513 2.630 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 15062890 REVLEAQCELZTKU-SFHVURJKSA-N 411.550 2.796 0 50 HFAA O=C([C@@H]1CC12CCN([C@@H]1CCSC1)CC2)N1CCN(Cc2cccs2)CC1 15071952 KVTXLFBANVASSE-MJGOQNOKSA-N 405.633 3.000 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CCCO)C2)n1CCc1ccccc1 15073718 KGDJZIMRQKDHPX-FQEVSTJZSA-N 419.591 2.904 0 50 HFAA COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCOCC1 16527287 GMFRNQBKTXMDPS-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA Cc1cc2ccccc2n1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55061083 LTYLMIRXOOLOGE-QFIPXVFZSA-N 422.504 2.596 0 50 HFAA COCCN(C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)C(C)C 55307580 FDQBCAFJJXARBO-UHFFFAOYSA-N 404.486 2.633 0 50 HFAA O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 61720041 ZHQGMZIZMRNRRV-UHFFFAOYSA-N 406.442 2.511 0 50 HFAA Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 82099072 IQOZAZQSQJIFPJ-OAQYLSRUSA-N 407.562 2.778 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1 90376110 OSMPKQSUSRZULQ-UHFFFAOYSA-N 416.259 2.984 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(=O)OC 252517779 RAVLGLKZXXZFLT-LIXBPZJASA-N 406.433 2.933 0 50 HFAA Cn1cnc2cc(NC(=O)CC[C@H]3N=C(O)N(CCc4ccccc4)C3=O)ccc21 252537418 LCSOVABIIUHXJP-QGZVFWFLSA-N 405.458 2.660 0 50 HFAA O=C(O)CC[C@]12CN(Cc3cccc(Cl)c3)C[C@H]1CN(C(=O)c1cc[nH]n1)C2 1772809156 NPKXZRHAQKVSHZ-MGPUTAFESA-N 402.882 2.502 0 50 HFAA CO[C@@H]1CC[C@@H]2NC[C@H](/C=C3\C(=O)N(CCCN(C)C)[C@@H]4CC[C@H](F)C[C@H]34)[C@@H]2C1 1775953791 NGQQMXCGOOHLQB-PSPCLVJWSA-N 407.574 2.617 0 50 HFAA CC(C)(C)c1ccc2oc(N3CCCN(S(=O)(=O)N4CCCC4)CC3)nc2c1 1857674499 KYCZUATULTUYDV-UHFFFAOYSA-N 406.552 2.978 0 50 HFAA Oc1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cnn3cccnc23)C1 1857710507 AHBKAVNIERHVDR-HSZRJFAPSA-N 413.485 2.767 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(C(=O)c3ccco3)C[C@]23CC[C@H]1O3)c1cc(F)ccc1F 1857715688 CWMNHRUSBLHOMM-GYQJYAJYSA-N 402.397 2.607 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)N2CCN(c3nsc4ccccc34)CC2)CC[C@@H]1N 1857727883 DOMPOTRVXFRMHY-SZMVWBNQSA-N 402.564 2.868 0 50 HFAA Nc1ncnc2c1ncn2CC(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 2325875293 MMVZXZIPDWKAOJ-UHFFFAOYSA-N 416.420 2.653 0 50 HFAA COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1 812978 SBZJQERCJKFYBI-UHFFFAOYSA-N 424.526 2.818 0 50 HFAA Cc1ccccc1CSCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 2812713 WBPUJEIOXOLCSM-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA CCOC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 4788899 NPWCHBAOAKOAFS-UHFFFAOYSA-N 416.499 2.757 0 50 HFAA COC(=O)c1cc(CNC(=O)c2ccnn2C)cc(NC(=O)c2ccccc2F)c1 12126841 XMSBBWCMXOAWFH-UHFFFAOYSA-N 410.405 2.528 0 50 HFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 12191373 FOZISAAZGSHPQE-KNQAVFIVSA-N 406.482 2.987 0 50 HFAA Cn1cnnc1SCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 12300386 OLQBELXTFHXCTF-OAHLLOKOSA-N 404.446 2.565 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 65362814 UNOUUKZBNDODIG-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(C)c1 67622622 OINVITJICSQWHV-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA CC(C)(C)n1cc2c(n1)[C@@H](N)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2 79012814 HONRUHZLFCRMIC-INIZCTEOSA-N 408.506 2.972 0 50 HFAA CCOCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 95517014 CJZHNKYNWHWTFT-QHCPKHFHSA-N 400.563 2.910 0 50 HFAA COCCN1C[C@@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)CCC1=O 95521139 WBZXPIOITNOLPG-HXUWFJFHSA-N 402.520 2.629 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccccc4F)CC3)n[nH]c2=O)cc1 169770680 MCJSJUHGMMTQGI-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA NC1(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCCCCC1 170676338 YAIFJPOHCQKXPU-UHFFFAOYSA-N 422.595 2.587 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC 206236821 GKGQTPRGHCWPRS-QGZVFWFLSA-N 422.441 2.634 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2N[C@]1(C)O 239310030 HZMHDVJGOYRAGL-FIXISWKDSA-N 404.776 2.853 0 50 HFAA Cc1noc(C)c1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299774544 HCPONFSGCPDLAC-FQEVSTJZSA-N 417.481 2.701 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cscn2)CC1 299801137 YQTSOKBDDYRRRK-IBGZPJMESA-N 405.495 2.553 0 50 HFAA COc1cc(CN2CCC[C@H]2c2ccccn2)ccc1OCC(=O)N1CCOCC1 535785540 WEWDZTVUAPMNHU-FQEVSTJZSA-N 411.502 2.665 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 823764768 FCEHSIVMDUFCFZ-UHFFFAOYSA-N 408.506 2.785 0 50 HFAA CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)C[C@H]3CSCCS3)CC2)C1 1439784941 AZTONNHYPRVESP-INIZCTEOSA-N 416.609 2.852 0 50 HFAA OC[C@]12CN(Cc3nccs3)C[C@H]1CN(C1CCN(c3ccc(F)cc3)CC1)C2 1772711085 YQCSZIQVDBMGSY-HTAPYJJXSA-N 416.566 2.677 0 50 HFAA COc1ccc(C(=O)NCc2cc(CN)ccn2)cc1Oc1cc(F)cc(CN)c1 1857707273 LJVVUWTUZNCQFH-UHFFFAOYSA-N 410.449 2.869 0 50 HFAA C[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccc(-c2ccncc2)cc1 1875258883 LYOAALNIEQEKTL-DYESRHJHSA-N 403.486 2.986 0 50 HFAA CC(C)(C)OC(=O)N[C@H](CC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2)C1CCOCC1 1875306261 YNFRHAHGQSKUHQ-FCQWJQKHSA-N 410.555 2.754 0 50 HFAA C=CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)C2)nn1 1875385973 GKXVMLJYWVXALQ-PBHICJAKSA-N 413.547 2.744 0 50 HFAA Cc1ccn2cc(CNC(=O)c3c(OCc4ccccc4)c(=O)ccn3C)nc2c1 1940193606 MEKDOWUVZZOGRZ-UHFFFAOYSA-N 402.454 2.850 0 50 HFAA COCc1[nH]nc(NC(=O)CCN2CCCCCC2=O)c1-c1ccc(OC)cc1 2356163955 YHIWWUMCKLPVHI-UHFFFAOYSA-N 400.479 2.963 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 904687 JASLJZLUVXUQAB-KRWDZBQOSA-N 414.955 2.959 0 50 HFAA CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC)cc1 4476981 SNBBMVIZPATJKD-NXWNEQKCSA-N 406.475 2.641 0 50 HFAA CCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 6659933 ZGURXFGYWGGHJN-UHFFFAOYSA-N 408.545 2.760 0 50 HFAA CC(=O)Nc1ccc(CN2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)s1 11997475 UFVPSGKSLCVZSC-HXUWFJFHSA-N 406.552 2.933 0 50 HFAA COCCN1C(=O)C[C@](CC(=O)N[C@@H](C)c2cccs2)(c2ccccc2C)C1=O 12281120 LMHBOCUVQYGNEP-KSFYIVLOSA-N 414.527 2.967 0 50 HFAA Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12591699 ZDHSGYYZHYYRIT-HNNXBMFYSA-N 416.909 2.661 0 50 HFAA CC[C@@H](O)CNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 20455040 RQYCPCUKSQOWCE-HSZRJFAPSA-N 401.595 2.683 0 50 HFAA COc1ccc(OC[C@H](O)CN(C)C)c(CNCC2(N3CCCCC3)CCCC2)c1 32516111 BATMBJSGKJQTPP-OAQYLSRUSA-N 419.610 2.885 0 50 HFAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 47416234 ZDMUIVGFRUUFQG-HDICACEKSA-N 407.580 2.569 0 50 HFAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccsc3)[C@H]4C2=O)c1 77505356 XISILWGKSVRFAE-MXBUBSDBSA-N 408.523 2.997 0 50 HFAA Cc1ccc(CN(C)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)o1 77555064 OGQGJFOENHNXRP-UHFFFAOYSA-N 409.442 2.567 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)c(C)c1C 104459787 JXHFFXFFDRRNCZ-HXUWFJFHSA-N 410.518 2.917 0 50 HFAA Cc1noc(-c2cn([C@H]3CCCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169777705 LKMGRKGWHKAWRE-AWEZNQCLSA-N 417.267 2.876 0 50 HFAA O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 170607719 NCAPUCKCACBPSR-HXUWFJFHSA-N 403.486 2.757 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc(Cl)cc1 238997281 ADDPCWMDRBWVFT-BVBVUKCESA-N 413.857 2.509 0 50 HFAA COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 239412514 SUQHCFLWQQPERJ-NJDAHSKKSA-N 421.497 2.976 0 50 HFAA CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]1C 252513862 AKUCMKAPHCGRFV-VLQCVTHLSA-N 412.530 2.941 0 50 HFAA O=C(NCCO)c1cccc(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 473665938 QIQVARCRFXAKDU-INIZCTEOSA-N 408.285 2.933 0 50 HFAA COc1ccccc1-c1ccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1 952977332 BYJIPJDJMJITTR-UHFFFAOYSA-N 423.557 2.577 0 50 HFAA COc1cc2c(cc1CNC13C[C@@H]4C[C@H](C1)CC(n1ncnn1)(C4)C3)OCCCO2 952979973 STJSUFNJOOEGID-MBWAJUJLSA-N 411.506 2.681 0 50 HFAA COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 1506398716 RZXIGMLAWCMDKL-GFCCVEGCSA-N 414.936 2.993 0 50 HFAA COc1nc2c(cc1C(=O)Nc1nnc([C@@H](C)OC)s1)C(=O)N(C1CCCC1)C2 1529144249 UYZDDESTLDLDNE-SNVBAGLBSA-N 417.491 2.800 0 50 HFAA CCS(=O)(=O)N[C@H]1[C@H]2CC[C@@H]1CN(Cc1c(C)nn(-c3ccccc3)c1C)C2 1857691648 UKELGZSFPICJFA-RMFSNUHRSA-N 402.564 2.639 0 50 HFAA COc1ccccc1Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2cccc3cccnc23)n1 1857722596 ZSJNNEKJXRFIQT-NLWGTHIKSA-N 415.497 2.981 0 50 HFAA Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2cc(C(=O)O)cc3cccnc23)no1 1875346040 QSNJCCKVMUBCAT-OAHLLOKOSA-N 416.459 2.930 0 50 HFAA Cc1cc(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c2cc(C(=O)O)[nH]c2c1 1875355978 IZZCDXRKGHPUJB-IBGZPJMESA-N 417.421 2.603 0 50 HFAA C=CC(=O)N1CCC(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 1875369486 RDTLIFNFDAZCBM-HSZRJFAPSA-N 400.519 2.827 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCC[C@H]2n2cc(Br)cn2)C1 1875371749 KXBQHJHZGWHEQJ-VNQPRFMTSA-N 409.328 2.670 0 50 HFAA Cn1nc(C(=O)N2CCCCN3CCCC[C@H]3CC(=O)NCCC2)c2ccccc21 2100533864 JCNYYQLNTBVJHQ-SFHVURJKSA-N 411.550 2.560 0 50 HFAA CN(C)CCn1cc(C(=O)N2CCc3[nH]c4c(Cl)cc(Cl)cc4c3C2)nn1 2325738508 KFJGSXWOZQHAKT-UHFFFAOYSA-N 407.305 2.826 0 50 HFAA COC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1[C@H](C(=O)OC)CC2 622250 BZQPMHRJWHCVHM-MFKMUULPSA-N 417.439 2.516 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 856984 ISNRISZFKYZBNN-SFHVURJKSA-N 422.934 2.826 0 50 HFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 916153 YGCMOPUPDKJCCJ-LJQANCHMSA-N 418.515 2.576 0 50 HFAA O=C(Nc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 6199401 AGNOIVDOWTYASJ-UHFFFAOYSA-N 410.293 2.881 0 50 HFAA FC(F)(F)c1cccc(-n2nnnc2CSc2nnnn2-c2ccccc2)c1 6764649 KLQDXJGTRXRMHU-UHFFFAOYSA-N 404.381 2.949 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697587 JMZDMKJAPZGPQK-UHFFFAOYSA-N 424.530 2.689 0 50 HFAA COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(CC(C)C)CC2 11786244 FJVMJYYDUUCSSV-UHFFFAOYSA-N 413.518 2.556 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCc2ccccc2F)c1=O 11910456 OGJCMJUETNQHCH-UHFFFAOYSA-N 421.472 2.758 0 50 HFAA Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14749489 TZZDPICETATCIG-HXUWFJFHSA-N 410.562 2.967 0 50 HFAA O=C(CSc1nc2ccccc2[nH]1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19907447 BHRAPAARZMGGPU-UHFFFAOYSA-N 410.499 2.728 0 50 HFAA Cc1ccc(C)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 20993151 NFFSAXHSJCXTSZ-UHFFFAOYSA-N 403.530 2.812 0 50 HFAA CN1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3Cl)cc2)CC1 23372970 CXVRHAKDMOCXMR-FQEVSTJZSA-N 403.954 2.617 0 50 HFAA CCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(C)n1 23373266 JBBMNCYWBJDTQX-QFIPXVFZSA-N 400.567 2.987 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CC1 55575515 HQXVFCUVIYURRC-SFHVURJKSA-N 417.554 2.836 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 67774233 PVXSLXFNVOMLIX-QGZVFWFLSA-N 407.445 2.964 0 50 HFAA COCCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82138576 LFLWENCGVXTOHM-QGZVFWFLSA-N 400.523 2.613 0 50 HFAA CC[C@H]1CN(c2cc(C)nc3nc(C(F)(F)F)nn23)[C@@H](CC)CN1CC(C)(C)O 241684921 QGLINCGPSOVOPE-KBPBESRZSA-N 414.476 2.902 0 50 HFAA CCOc1cc(C(=O)OCc2cnns2)ccc1OCC(=O)N1CCCCC1 242346981 ZKUDOMODLJOLOX-UHFFFAOYSA-N 405.476 2.685 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1CCCN(C2Cc3ccccc3C2)CC1 828182403 XTAFZFYJAMSQGJ-UHFFFAOYSA-N 405.542 2.839 0 50 HFAA CCOc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1 1529112513 MIWPJKAVTLBDAB-NHCUHLMSSA-N 401.459 2.677 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2nc(C3CC3)no2)ccc1F 1704312572 VMPZJFDPUCAVBK-UHFFFAOYSA-N 401.398 2.746 0 50 HFAA CCn1cc(CN2CCC[C@@]3(C(=O)NCc4ccccc4C)CCN(C)C[C@H]23)cn1 1857696820 DQSRCPKPISSFPF-LADGPHEKSA-N 409.578 2.814 0 50 HFAA CCn1nc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc1C 1857714408 SUAZZPQQUXKGNT-HSZRJFAPSA-N 418.501 2.889 0 50 HFAA CC(C)=CCN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1ccnc(O)c1 2100557637 XKPNOBZMWQGTMC-QVHJCDIPSA-N 407.514 2.560 0 50 HFAA C[C@@](CO)(CN=c1cc(NC[C@](C)(CO)c2ccccc2)nc[nH]1)c1ccccc1 2325725126 ZCFWGUMQGJTBNL-PSWAGMNNSA-N 406.530 2.623 0 50 HFAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(=O)ccoc2c1 2325748983 CJQQQDFLPKBQED-UHFFFAOYSA-N 408.410 2.665 0 50 HFAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21 2325823908 IGKNGFFANZEPQI-UYHISHBKSA-N 402.859 2.791 0 50 HFAA COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899761 RMBYATBARCRXMJ-UHFFFAOYSA-N 410.495 2.995 0 50 HFAA Cc1c(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(=O)n(-c2ccccc2)n1C 948516 PAUPSGFIYPXNHI-BTYIYWSLSA-N 417.531 2.622 0 50 HFAA COc1ccc(CCNC(=S)N2CCN(c3ccccc3O)CC2)cc1OC 1460287 DYRWLINSOINYTE-UHFFFAOYSA-N 401.532 2.649 0 50 HFAA COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N([C@@H](C)c3ccccc3)C2=O)c1 3612143 YPDNOLKVOHTGCF-HXPMCKFVSA-N 421.375 2.997 0 50 HFAA CN(Cc1ccnc2ccccc12)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 11817096 KTTNFMQEOUXHLN-JOCHJYFZSA-N 402.498 2.584 0 50 HFAA CN(CCO)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12079274 DGSZDHXSHSJNLN-UHFFFAOYSA-N 403.486 2.760 0 50 HFAA COc1ccc(CN(C)C(=O)CC[C@@]2(Cc3ccco3)CCC(=O)N2)cc1OC 12194221 PUTZBRBNNVLPNP-JOCHJYFZSA-N 400.475 2.927 0 50 HFAA COCCN1CCC(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 12435164 JIUTYDRYEWOSPZ-UHFFFAOYSA-N 424.501 2.890 0 50 HFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(Br)cc3)nn2)n1 19924250 FGBPJCNOZPZWRM-UHFFFAOYSA-N 415.295 2.884 0 50 HFAA Cn1cc(CNCC2(N3CCOCC3)CCCC2)c(-c2ccc3c(c2)OCCO3)n1 20600518 DRSQXLSFWRHKSJ-UHFFFAOYSA-N 412.534 2.593 0 50 HFAA CCOC(=O)[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 23145164 AIHSJTRTSOMPOS-QGZVFWFLSA-N 411.568 2.642 0 50 HFAA CC(=O)N1CCC[C@]1(Cc1ccc(S(C)(=O)=O)cc1)C(=O)OCc1ccccc1 49087754 XFXZWVGQXNFWDE-QFIPXVFZSA-N 415.511 2.757 0 50 HFAA CN(C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1)[C@H]1CCCC[C@@H]1O 65365572 DWSGHEPUCZLNOL-SFTDATJTSA-N 416.543 2.883 0 50 HFAA O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(Br)cc1F 166274421 FVWKCJNSNGODHF-UHFFFAOYSA-N 420.194 2.620 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 206229966 LCKKCONVOJYYAT-LJQANCHMSA-N 406.442 2.668 0 50 HFAA C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 252444032 UDLSAKADJPPKSM-QAPCUYQASA-N 407.470 2.969 0 50 HFAA Nc1nsc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 253426145 BKMQFDQBIKQKNE-UHFFFAOYSA-N 407.565 2.679 0 50 HFAA COC1CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 653825408 OJIQEAIHEGJBFE-UHFFFAOYSA-N 414.469 2.750 0 50 HFAA in-vitro O=C(NC[C@@H]1CCS(=O)(=O)C1)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952964287 YIEGPYWUXKXUKL-ZDUSSCGKSA-N 419.503 2.904 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCCC(=O)c1ccccc1 1148028196 BBGMQFVNTGWJCZ-KRWDZBQOSA-N 403.504 2.851 0 50 HFAA COc1cccc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1OC 1857693619 FCMNAIXTFPBJMC-HNNXBMFYSA-N 416.503 2.729 0 50 HFAA O=C(N[C@@H]1CCCC12CCN(Cc1ncc[nH]1)CC2)c1cccc(N2CCNC2=O)c1 1857710912 AMUGFEFBBJRKNO-LJQANCHMSA-N 422.533 2.504 0 50 HFAA C[C@H](NC(=O)NCc1ccc2c(c1)CCS2(=O)=O)c1cnn(Cc2ccccc2)c1 1875253317 QXIJLONUZPEJJC-INIZCTEOSA-N 424.526 2.822 0 50 HFAA CC(=O)c1oc2ccccc2c1NC(=O)CN1CCC(NC(=O)c2cc(C)on2)CC1 1875257171 PGGGOEZBSSCTHH-UHFFFAOYSA-N 424.457 2.765 0 50 HFAA COc1ccnc(NC2CCN(C(=O)Nc3ccccc3N=S(C)(C)=O)CC2)n1 2325824181 SFVIUBNBJNQKQC-UHFFFAOYSA-N 418.523 2.953 0 50 HFAA N=c1[nH]nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)s1 2356138006 DWWBGGFBCUCPPE-OHFALNGGSA-N 401.511 2.538 0 50 HFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356158081 CCAMGRMYVAVZQU-OAQYLSRUSA-N 412.559 2.743 0 50 HFAA COC(=O)c1ccc(COn2c(=O)c(-c3cccs3)[n+]([O-])c3ccccc32)cc1 1110117 FACOGWOKIMUCHT-UHFFFAOYSA-N 408.435 2.779 0 50 HFAA CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182987 KSCZOTRTSALMLX-LJQANCHMSA-N 417.527 2.852 0 50 HFAA C[C@H](CO)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12149266 JPRURNJAYFRSEZ-CQSZACIVSA-N 403.486 2.806 0 50 HFAA O=C1CSC(=O)N1CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12435559 KSGJXNQIXPPSMT-HXUWFJFHSA-N 406.467 2.732 0 50 HFAA Cn1cc(CNCc2cc(Cl)ccc2OC[C@@H](O)CN2CCCCCC2)cn1 12465729 WDPMIONRGQQJSC-FQEVSTJZSA-N 406.958 2.979 0 50 HFAA O=C(CCCOc1ccc(Cl)cc1Cl)Nn1c(=O)[nH]c2ccccc2c1=O 17087823 YRAKZVFPNOCZPD-UHFFFAOYSA-N 408.241 2.926 0 50 HFAA COc1cccc(OC)c1C(=O)NC[C@H](C)Oc1cccc(CN2CCOCC2)c1 19744724 KZCDNBPHJUEATB-KRWDZBQOSA-N 414.502 2.733 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 72436958 NYGNMWCUFMAGDX-UHFFFAOYSA-N 403.552 2.783 0 50 HFAA CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)CCO2 170616792 KYQKRNVKWTTYNE-UHFFFAOYSA-N 423.469 2.593 0 50 HFAA COc1ccc(OC)c(CN2CCC3(CC2)C[C@H]3C(=O)NCCCn2ccnc2)c1 299786066 PBFRLLGTWBEBEV-FQEVSTJZSA-N 412.534 2.709 0 50 HFAA Cc1nc(CCC(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3=O)C2)n[nH]1 426693886 UZGAQUIXZDGLFV-QFIPXVFZSA-N 401.555 2.857 0 50 HFAA CCc1ccc(C(=O)N2CCN([C@@H]3CCN(c4ccccc4OC)C3=O)CC2)cc1 464865455 GQJLFHJBDMXNEH-OAQYLSRUSA-N 407.514 2.821 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)ccc1OC 482473045 YHNOZDHNWNAVGV-UHFFFAOYSA-N 406.479 2.638 0 50 HFAA CC(C)(O)CN1CCc2c(cccc2NC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 784733185 XYTUOOCVFBXZDJ-FQEVSTJZSA-N 410.518 2.554 0 50 HFAA COc1ccc([C@H](C(=O)O)N2CCN(c3ncnc4ccccc34)CC2)cc1OC 1529134211 PKAXNNSJEQTXPN-HXUWFJFHSA-N 408.458 2.595 0 50 HFAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CC(c2ccncc2)=NO1 1875262406 HVJJNTHEJMBIJB-KSSFIOAISA-N 402.401 2.571 0 50 HFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@]2(OC(=O)Nc3ccc(Cl)c(F)c32)[C@H]1C 1875370760 CASHLPVACSGMBT-NSPYISDASA-N 409.845 2.892 0 50 HFAA COc1cccc(-c2cc(CC3(O)CCN(c4ncc5ncn(C)c5n4)CC3)on2)c1 2100537287 LQUATVXLEBGTAE-UHFFFAOYSA-N 420.473 2.601 0 50 HFAA CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726734 DXAUPDOMIOLHNA-HZPDHXFCSA-N 414.525 2.688 0 50 HFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)CC1=O 2325819654 MDIOXPIXZMZJCY-NJAFHUGGSA-N 401.507 2.722 0 50 HFAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nc3c(s1)CCCC3)C[C@H]2O 2356138930 SMACHOYAAFPCJN-VZGVRVRRSA-N 411.571 2.735 0 50 HFAA COc1ccc2nc(NC3=N[C@@H](C(=O)Nc4ccc(C)cc4)CC(=O)N3)nc(C)c2c1 902609 LEIYHXRDTOTMQN-GOSISDBHSA-N 418.457 2.550 0 50 HFAA COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 2261888 WFMMOBVVDZKYGR-HNNXBMFYSA-N 410.426 2.731 0 50 HFAA COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCC(=O)O 4492505 YKVHKQPUQJDNSZ-NVMNQCDNSA-N 410.451 2.546 0 50 HFAA CCn1ncc(C2=NO[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c1C 6802805 HTOUFTYODKCFSN-IBGZPJMESA-N 401.898 2.707 0 50 HFAA COCCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1Cc1ccccc1 11936708 KDRRMBCMUOPVBX-UHFFFAOYSA-N 417.531 2.885 0 50 HFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc(F)cc1)C2 11995266 OTXQGUTWEHAKDE-UHFFFAOYSA-N 405.495 2.557 0 50 HFAA O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1Cl 12138718 IBTDMEPDAYZYDF-UHFFFAOYSA-N 403.891 2.939 0 50 HFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCCC1CCCC1 15073439 ZESOHDKSVQBFPR-SQEWALACSA-N 413.562 2.986 0 50 HFAA CSc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCCCCC1 16648079 MKKQSKMKCAUCTB-HNNXBMFYSA-N 412.577 2.882 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 19745067 DTLBIAJGKWMVLH-SFHVURJKSA-N 404.507 2.683 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 19809883 MOUDRDVUPWLWAL-MRXNPFEDSA-N 404.392 2.555 0 50 HFAA COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C 19848899 SIZRLIJUWFFBAU-UHFFFAOYSA-N 418.515 2.547 0 50 HFAA COc1cc(OC)c(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1Cl 20732929 ZONDYWCZJJLOBB-UHFFFAOYSA-N 416.869 2.650 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 23374990 LOLBOWJTTXQDQR-OAQYLSRUSA-N 411.550 2.826 0 50 HFAA O=C(c1cncc(Cl)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71575505 LMJYIYDBNJPVIP-MRXNPFEDSA-N 404.942 2.674 0 50 HFAA COc1ccc(F)cc1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCSCC2)c1 71764459 CGOONFBVTXQDIG-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA COC[C@H](C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc21 77471037 BDJOWAPWHTUSRX-KRWDZBQOSA-N 410.522 2.899 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N3CCC[C@@H]3c3ccccc3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77555612 REHVRXLSGXYQAP-KVZPGWMESA-N 415.493 2.727 0 50 HFAA O=C1OCC2=C1[C@@H](c1ccc(Cl)cc1)NC(=O)N2CC(=O)N1CCc2ccccc21 169759019 VCVRLMWEQFHNBX-HXUWFJFHSA-N 423.856 2.807 0 50 HFAA O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169779900 WVFUSMUGAZNBTD-CQSZACIVSA-N 418.482 2.997 0 50 HFAA CC(C)[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2n1C 223214769 SZACGGVNZRBDBC-HXUWFJFHSA-N 419.489 2.656 0 50 HFAA CC(C)[C@@]1(C)CC(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 230273777 CIINENDZTAGVLS-ZMPRRUGASA-N 401.507 2.660 0 50 HFAA Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc(C)c1Br 239432974 XAMLEPRSSQACAL-OKKJVPACSA-N 422.275 2.745 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 328596350 IISMGOQQHKPGKI-CLWJZODNSA-N 406.548 2.544 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCC(=O)NC(C)(C)C)csc2C1 426590004 PUKBNVRHBOVEGT-UHFFFAOYSA-N 404.536 2.556 0 50 HFAA COC(=O)Nc1cc(C(=O)N2CC(OC(=O)NC(C)C)C2)cc(C(F)(F)F)c1 807807271 OOQDLOSLHGIKQE-UHFFFAOYSA-N 403.357 2.843 0 50 HFAA Cc1cccc(OCc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)c1C 951726567 BYNKYUQGWGORDX-AWEZNQCLSA-N 421.548 2.521 0 50 HFAA O=C1CCOC2(CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)CN1Cc1ccccc1 1704325249 KKMPEXKLFXZMKT-UHFFFAOYSA-N 418.497 2.987 0 50 HFAA Cc1c(-n2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)c(N2CCCC2)nn1C 1857681221 CSBDBQAJKUKVTQ-KRWDZBQOSA-N 408.510 2.562 0 50 HFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875288318 WWRRPJUAIJVJPP-VCCPWWMMSA-N 416.485 2.518 0 50 HFAA O=C1NCc2ccc(CNC(=O)N3CCC(c4ccc5cccnc5n4)CC3)cc21 1875351061 JNDQKLWZWZDZEB-UHFFFAOYSA-N 401.470 2.962 0 50 HFAA CCn1c(O)nc2cc(C(=O)N[C@@H](C)c3cnn(Cc4ccccc4)c3)ccc2c1=O 2325705783 QGIMYWSMBLLHTC-HNNXBMFYSA-N 417.469 2.858 0 50 HFAA CC[C@H]1CN(C/C=C/CN2C[C@@H](CC)O[C@]3(CCCOC3)C2)C[C@]2(CCCOC2)O1 2325742635 CEXGUVBNEWQHSY-URXFFODUSA-N 422.610 2.863 0 50 HFAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 626374 VNXUNYHZJOPCIF-UHFFFAOYSA-N 409.877 2.748 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1 969753 BNGDWMKTNLFHLZ-PMACEKPBSA-N 402.516 2.686 0 50 HFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 1072772 DIPJDSZLSWKYBS-NRFANRHFSA-N 411.527 2.988 0 50 HFAA Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1N1C(=O)CCC1=O 1125032 MLLOHPBHULISFG-AWEZNQCLSA-N 410.401 2.746 0 50 HFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1 5030362 AFTIIMWVIJVLMN-LJQANCHMSA-N 416.430 2.861 0 50 HFAA CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 11819396 UIIBOQCGONNDKW-NRFANRHFSA-N 409.578 2.957 0 50 HFAA COCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)CCC(C)C 11935614 PTFAXQYGUZNBGK-UHFFFAOYSA-N 414.597 2.746 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2ccc(OC)cc2)c1=O 12039650 DLDIEWRNQZYHDJ-UHFFFAOYSA-N 419.481 2.585 0 50 HFAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12281833 MZOJOYDOUJREQM-QGZVFWFLSA-N 423.492 2.732 0 50 HFAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 15069770 DNYSWLKEDYYTOY-OAHLLOKOSA-N 411.380 2.532 0 50 HFAA Cc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 16579803 OJKWLEDHWMSLEV-HNNXBMFYSA-N 404.488 2.868 0 50 HFAA NC(=O)c1noc([C@@H]2CCCN2Cc2cc(Br)cc3cccnc23)n1 170610868 OUVGLHLTTGDQEV-ZDUSSCGKSA-N 402.252 2.816 0 50 HFAA CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCCc1nc(-c2ccccc2)n[nH]1 170617022 SFUCJBKNWUHLAS-UHFFFAOYSA-N 417.466 2.520 0 50 HFAA CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(N2CCOCC2)c(F)c1 170622372 JDUHSDSYBSDHTE-UHFFFAOYSA-N 413.493 2.771 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1)C(=O)O 238900772 JVACKGHJWHDABG-ADAWSYLGSA-N 415.490 2.524 0 50 HFAA Cn1cnc2cc(C(=O)N(CCOc3ccccc3)C[C@@H]3CCCO3)ccc2c1=O 952987285 MWDZOCZYWWHYJO-IBGZPJMESA-N 407.470 2.634 0 50 HFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)CCSc1nnc(-c2ccncc2)o1 1506397975 QVBMFIGZDZYJEH-UHFFFAOYSA-N 423.458 2.717 0 50 HFAA CN1CCN(C[C@@H]2CCCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)C2)CC1 1704331039 JQFNOGQQNLARJZ-INIZCTEOSA-N 412.504 2.559 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2Cc3ccccc3C2)cn1 1857720085 DCSYJKOMBDBZJY-GOTSBHOMSA-N 408.546 2.590 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 1857726939 IHTDRDGEIDPEGN-HNNXBMFYSA-N 411.462 2.615 0 50 HFAA Cc1nc(O)nc(O)c1S(=O)(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 2325824600 IWNNBFNBWCVKGO-UHFFFAOYSA-N 418.302 2.903 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2S(=O)(=O)c1cccc(F)c1 2356166740 LVRPCZLJWVEYRP-FQEVSTJZSA-N 403.479 2.567 0 50 HFAA Cc1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 1099360 WFYHXWUROPTVSW-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 1544569 WEQLRDLTRCEUHG-PKOBYXMFSA-N 415.877 2.543 0 50 HFAA in-vitro COc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 7560992 NLTGINAZCCVTBK-UHFFFAOYSA-N 409.508 2.538 0 50 HFAA O=C(CCc1ccccc1)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11841159 PZQDOYBMPJKHSD-NRFANRHFSA-N 407.514 2.984 0 50 HFAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2ncccn2)cc1Cl 12079790 JAEYFRZHLAWPDF-WMZOPIPTSA-N 409.877 2.919 0 50 HFAA Cc1cccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 14950567 ICAGBRUZRVCGPX-UHFFFAOYSA-N 421.520 2.685 0 50 HFAA COc1cc(-c2n[nH]cc2CN2CCCN(c3ncccn3)CC2)cc(OC)c1OC 55198314 XBNIDNXDBRRPFV-UHFFFAOYSA-N 424.505 2.605 0 50 HFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1ccc(S(=O)(=O)N2CCCC2)cn1 225779139 UAADRBAPWORRNQ-ALOPSCKCSA-N 401.536 2.515 0 50 HFAA CNC(=O)[C@@H]1C[C@@H](NC2CCN(CCc3ccccc3)CC2)CN1Cc1ccccc1 299770523 RRGVHYLCXJILOD-RPBOFIJWSA-N 420.601 2.672 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCC(c4n[nH]c(C)n4)CC3)n2)c1 426501681 AWALCWRWGNWTLF-UHFFFAOYSA-N 410.478 2.901 0 50 HFAA CC[C@H](c1ccccc1)c1nn2c(C3CCN(S(C)(=O)=O)CC3)nnc2s1 951726864 MPCZVLSAHIKBCT-OAHLLOKOSA-N 405.549 2.867 0 50 HFAA COCCNc1nc2cc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)ccc2n1C 1506415962 RPTVKWRYLSJRIF-QGZVFWFLSA-N 421.501 2.762 0 50 HFAA Cc1cc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nc(-c2ccccc2O)n1 1529196466 ZXTNUVGROMJLPN-QGZVFWFLSA-N 409.534 2.727 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CC1 2356156531 GJLJBZFFJBCLCA-UHFFFAOYSA-N 419.485 2.590 0 50 HFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCCC3(CCOCC3)C2)[C@H]1c1ccccc1 2356166158 WEBAENJAPAUZKV-RTWAWAEBSA-N 400.519 2.783 0 50 HFAA Cc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1 1210787 FFIWNKOKMMLESV-UHFFFAOYSA-N 410.433 2.928 0 50 HFAA CN(C[C@@H](CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 3627406 ODSRMUXYEQYKON-MRXNPFEDSA-N 416.528 2.971 0 50 HFAA aggregator CC(=O)c1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 4832245 IQCZDWZHXWEGSK-UHFFFAOYSA-N 420.556 2.705 0 50 HFAA COc1cc(-c2cnnc(N(C)Cc3n[nH]c4c3CCCC4)n2)cc(OC)c1OC 11819004 CSZJENCTRSMGCS-UHFFFAOYSA-N 410.478 2.803 0 50 HFAA CCCN(Cc1cc(OC)ccc1OC[C@H](O)CN1CCC(O)CC1)CC1CC1 11842103 ZLJVLUGZSLBOQG-OAQYLSRUSA-N 406.567 2.514 0 50 HFAA CCCS(=O)(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 11878208 JMQKQYMCLKFUEO-NRFANRHFSA-N 421.607 2.609 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 12021513 FHRMFTVTYSKNOB-HXUWFJFHSA-N 417.594 2.603 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CCCc1ccccc1 12093151 BHEMJMCMNVSKTQ-JOCHJYFZSA-N 408.546 2.993 0 50 HFAA C[C@@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1 12200131 ULIGTTFJDBDIRG-SFHVURJKSA-N 404.518 2.655 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cc2cccnc2)c1 12434976 CILPCFNPVQZKSA-MRXNPFEDSA-N 411.502 2.841 0 50 HFAA COC(=O)C[C@@H](NC(=O)c1csc2nc(-c3ccccc3Cl)cn12)C(=O)OC 12447586 LZHIRBNQTMAWFJ-GFCCVEGCSA-N 421.862 2.551 0 50 HFAA O=C(NC[C@H]1CCCO1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12596362 VQIIZDDHZBQMRN-LJQANCHMSA-N 409.486 2.674 0 50 HFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1cccc(O)c1)CC2 14541499 DXBKTPLWHNWHRK-UHFFFAOYSA-N 420.513 2.954 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2Cl)cc1 20146146 RXEUSPJYNQMONT-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4)ccn3n2)cc1 169775863 ALWJYTRXGWOTSV-UHFFFAOYSA-N 406.417 2.741 0 50 HFAA CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)C(F)(F)F 170616571 CPDXFVSPWCDVRN-UHFFFAOYSA-N 422.425 2.684 0 50 HFAA CCOC(=O)C(=CNc1ccc(OC)c(I)c1)C(=O)OCC 214485906 CPVPFBYRIQSCEZ-UHFFFAOYSA-N 419.215 2.722 0 50 HFAA O=C1CO[C@@H](CNc2ccc3ccccc3n2)CN1CC1CCN(CC2CC2)CC1 299764938 XGRGRDOWPWRONS-NRFANRHFSA-N 408.546 2.996 0 50 HFAA C[C@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828269745 BMFWTFQKUJGOGN-PLZCCLBXSA-N 411.502 2.583 0 50 HFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O 952972496 IHRBJJZWUGLVBS-CQSZACIVSA-N 415.943 2.623 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC1)OCC2 1704338480 CHNZAZYHQTYSJO-GOSISDBHSA-N 402.535 2.587 0 50 HFAA COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(Cc4ccc5c(c4)OCO5)c3n2)c1 1857526320 ACLGGDLALHIEGH-UHFFFAOYSA-N 419.393 2.655 0 50 HFAA CCCCOc1ccccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857719373 JPRBPQZVQVSFMU-SFTDATJTSA-N 400.523 2.743 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccc3[nH]ccc23)cn1 1857721908 LPMUXQJDAMXOPV-VXKWHMMOSA-N 407.518 2.970 0 50 HFAA COc1nc(C)cc(C)c1CNC(=O)[C@@]12CCCCN1C[C@@H](NC1CCCC1)C2 1875244561 UUCCCEDZMQSDJI-CVDCTZTESA-N 400.567 2.852 0 50 HFAA Cc1c(-c2cc(C(=O)N3CCCN(c4nc5ccccc5o4)CC3)no2)cnn1C 2100557476 UXSHHAGJBJADCV-UHFFFAOYSA-N 406.446 2.877 0 50 HFAA C[S@@](=O)(CC1CC(N)C1)=NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 2325850886 KMFZHGYBFKSSGR-MYBXQDLESA-N 406.577 2.874 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)CCc3c(C)nc(O)nc3C)CC1)OCC2 2356141937 WUWDQQDOAMHONI-UHFFFAOYSA-N 411.502 2.831 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 2356144911 RMCZERAAQFKCHE-UHFFFAOYSA-N 422.481 2.755 0 50 HFAA CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 937496 AVOUKPSVSIVRNP-UHFFFAOYSA-N 404.488 2.672 0 50 HFAA Cc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2871353 HCDFMQAXEDEBMM-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA COc1cccc(C[C@@]2(CO)CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1 11938057 XDBLSOXOGNDRCC-VWLOTQADSA-N 424.541 2.989 0 50 HFAA Cc1ccc(CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccccn3)C2)o1 14540753 VEZSULTYNVOKSZ-JOCHJYFZSA-N 413.518 2.639 0 50 HFAA O=C(c1cccs1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20167749 OHCKYJQEQDENBW-GOSISDBHSA-N 413.543 2.899 0 50 HFAA Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2Cl)n1 39470855 FAORJFBWSJRMRO-UHFFFAOYSA-N 411.897 2.684 0 50 HFAA CC[C@@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1 77425787 NGMVCOLGMIRVGV-CQSZACIVSA-N 405.520 2.933 0 50 HFAA CC(C)(N)c1cn(C[C@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 82039521 DTLUNBYKTSPNGG-BZSISCHUSA-N 400.571 2.862 0 50 HFAA O=C(NCC1CCNCC1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82107186 HIRLMPOTUSVEON-HSZRJFAPSA-N 412.622 2.521 0 50 HFAA Cc1cccnc1CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 91656535 HVVSGCAAAPGVAX-NRFANRHFSA-N 407.562 2.778 0 50 HFAA COc1ccc(CN2CCCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2=O)cc1 170597072 NRVFHTDZDFSOPV-IBGZPJMESA-N 423.513 2.651 0 50 HFAA COc1ccc(CCC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1Br 253396922 BDTXNDLAUIZKTO-AWEZNQCLSA-N 418.353 2.816 0 50 HFAA CN1C(=O)c2ccc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc2C1=O 448396582 FWLCZFAKZSOALJ-UHFFFAOYSA-N 421.375 2.914 0 50 HFAA COc1cccc(CN2CCN(Cc3cnn(-c4ccccc4OC)c3)CC2=O)c1 670449189 AWOVSFPNQNEBHG-UHFFFAOYSA-N 406.486 2.734 0 50 HFAA CN1CCCC[C@@H]1CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 952980883 BAKGJKCLCUQFPK-LLVKDONJSA-N 406.430 2.793 0 50 HFAA CC1(C)CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)CC1 1857680925 YCPXOOXVLZHHDQ-WAOWUJCRSA-N 406.548 2.904 0 50 HFAA O=S(=O)(Cc1ccccc1CN1CCO[C@H]2C[C@H](CO)C[C@@H]21)c1ccccc1 1857734468 KCTUIPJIKXQRRC-WTNAPCKOSA-N 401.528 2.632 0 50 HFAA O=S(=O)(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cccc(F)c1 1857735107 IKUAZGMQOSANFH-ZIFCJYIRSA-N 410.898 2.972 0 50 HFAA COCc1noc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)n1 1857736216 FMYOWWWASUKYJA-LLVKDONJSA-N 405.842 2.543 0 50 HFAA Cc1ccc2c(C(=O)N3CCC[C@@]34CCCN(Cc3ccccn3)C4=O)cnn2c1 2356138528 LUNZERBQTHHOJJ-HSZRJFAPSA-N 403.486 2.835 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC[C@@H](Cn2ccnc2)C1 2356140238 ZXVNKVCOZUSRDE-INIZCTEOSA-N 400.548 2.648 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 4144347 JLYNOMVNFPMSSJ-MPGHIAIKSA-N 412.339 2.938 0 50 HFAA CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(C(=O)OC)o1 4204785 NLTFNNXKOGTGNP-GUYCJALGSA-N 407.444 2.832 0 50 HFAA Cc1nn([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1Cl 4785075 YFHRQXKZTYXGCV-AWEZNQCLSA-N 424.954 2.638 0 50 HFAA O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 4992933 ATUOEFCRKWFVLL-INIZCTEOSA-N 401.470 2.817 0 50 HFAA CC(C)[C@H](CO)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11761584 ZPZGISPKRDGQKQ-NRFANRHFSA-N 408.546 2.982 0 50 HFAA COc1ccc(CNCCn2ccnc2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12317210 TUUZZQNHQLOXQX-JOCHJYFZSA-N 424.545 2.553 0 50 HFAA COc1ccccc1OCc1cc(C(=O)N2CCC[C@H](CN3CCCC3=O)C2)no1 15069865 JEBVTQIXXSAHEU-MRXNPFEDSA-N 413.474 2.737 0 50 HFAA Cc1cc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)ccc1Cl 20352450 GHYYMYDDUOBFIY-UHFFFAOYSA-N 420.878 2.685 0 50 HFAA COc1nc2c(cc1CNC(=O)c1ccccc1)C(=O)N(CCc1ccccn1)C2 71760096 NQVKIFDRHTXOGB-UHFFFAOYSA-N 402.454 2.614 0 50 HFAA Cc1nnsc1C(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 95530657 PUKLTRCGDONMKO-INIZCTEOSA-N 401.536 2.575 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 328606425 RNHXFYPVUGECEU-GOSISDBHSA-N 407.518 2.523 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H](CC)C(N)=O)csc3C2)nc1 426641435 DJWMJEBRYVNHLD-SFHVURJKSA-N 400.548 2.600 0 50 HFAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1ccc(N2CCCC2)c(Cl)c1 952984072 NMGOMIIDWLWSEE-INIZCTEOSA-N 413.971 2.874 0 50 HFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCCCN1Cc1cccnc1 1319685574 XCVDCDBNOJNFKM-YADHBBJMSA-N 406.530 2.744 0 50 HFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1c[nH]c2cc(F)ccc12 1447298236 DXLIGHGBNBIQQL-LJQANCHMSA-N 407.401 2.872 0 50 HFAA O=C(c1c(O)cccc1O)N1CC[C@H]2[C@@H](C1)CN2Cc1ccc(-n2ccnc2)cc1 1775977543 HKOYEXLUSVIUQF-HKUYNNGSSA-N 404.470 2.630 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccncc2C)C[C@H]1NC1CCN(C)CC1 2100480384 GZGSRLHBCJXVDR-VLCRHTCISA-N 402.583 2.654 0 50 HFAA COc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 2325747556 XUANTEOZYILDIH-INIZCTEOSA-N 422.485 2.942 0 50 HFAA Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCOCC1 1425801 BBDQXPJNUGFSFG-UHFFFAOYSA-N 423.498 2.582 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 4263339 QPBZUNMZVMIAIG-VKJFTORMSA-N 410.348 2.505 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4661957 HXILROOZAIOVEG-SFHVURJKSA-N 402.472 2.573 0 50 HFAA CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1 6200626 VDXRLZZUHHYTOK-UHFFFAOYSA-N 417.531 2.808 0 50 HFAA COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H](C)CS2(=O)=O)c1 12003919 BZMBUGZFCWXVGM-NSHDSACASA-N 408.863 2.913 0 50 HFAA CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)c(OC)c1 12028647 DXFGDTWKEHZSBL-FQEVSTJZSA-N 422.566 2.694 0 50 HFAA C/C(=C\c1ccccc1)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 12451410 NIPRDWRMTMQHBW-OBGWFSINSA-N 402.502 2.565 0 50 HFAA CCOc1ccc(-c2nc3s/c(=C4\C(=O)N(CC)c5ccccc54)c(=O)n3n2)cc1 16729670 CMTDEJRTNPVOQZ-ZCXUNETKSA-N 418.478 2.501 0 50 HFAA CN(Cc1cc[nH]n1)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 23505817 XJDHWVNORNSCKD-QHCPKHFHSA-N 406.530 2.840 0 50 HFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 42750170 OCPBBZQADAOTDT-UHFFFAOYSA-N 405.314 2.691 0 50 HFAA Cc1cc(N2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc2ccccc12 67803338 ACXSUOPXOHAFQF-HSZRJFAPSA-N 401.470 2.890 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3ccc(C)cc3C)nn2)nc1 72434135 KLQZUCPSYKQMJB-UHFFFAOYSA-N 412.519 2.931 0 50 HFAA COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1OC 169780491 CGDWENFHOZQPPW-UHFFFAOYSA-N 410.396 2.911 0 50 HFAA O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1nnnn1-c1ccccc1 239672487 BTGRFLBPRMLHKH-YHDSQAASSA-N 403.486 2.910 0 50 HFAA C[C@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1nc(-c2ccccc2)no1 828269755 PLUCDJQNTPPZEZ-ZDUSSCGKSA-N 405.414 2.674 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)CCc1c(C)nc2ncnn2c1C 952971462 DXRNRAAAEAGWAQ-UHFFFAOYSA-N 403.446 2.783 0 50 HFAA OC1CCN(c2ccnc(N3CCCN(c4nc5ccccc5s4)CC3)n2)CC1 1529178184 JUPSPZIULYMULW-UHFFFAOYSA-N 410.547 2.764 0 50 HFAA Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3C[C@@H](CO)C[C@H](CO)C3)c2Cl)cc1 1875342252 HEEYGMPWGMQBJF-PXEQJPNCSA-N 417.937 2.664 0 50 HFAA CC1(C)CN[C@@H](CC(=O)NCC[C@@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)C1 1875359083 TZKVIELDBCZHNQ-CVEARBPZSA-N 419.533 2.873 0 50 HFAA C[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 2325872545 CLTLOOPVPAXZNC-DXSYMUGCSA-N 417.525 2.792 0 50 HFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCc2[nH]nc(C3CC3)c2CC1 2356154768 JCCFETHKDBUAMM-UHFFFAOYSA-N 412.559 2.741 0 50 HFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356169318 PRLBOGGWFILFEV-UHFFFAOYSA-N 400.548 2.774 0 50 HFAA CC[C@@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 4698960 LYGQFQMZLSHWHN-HZPDHXFCSA-N 419.503 2.795 0 50 HFAA CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC 4764780 HGGMIQWSRCIBEM-PMACEKPBSA-N 412.486 2.982 0 50 HFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O 12481159 WZPLMKDDDWOFSV-IBGZPJMESA-N 403.542 2.941 0 50 HFAA COc1ccc(CNCCn2cccn2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12592693 VYUNRSJLKOMHLY-JOCHJYFZSA-N 424.545 2.553 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 14981804 DIBSCCSNFSMGDH-INIZCTEOSA-N 411.506 2.582 0 50 HFAA O=C(N[C@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19333965 NDLHVEJJQWWOTD-PWSUYJOCSA-N 420.145 2.543 0 50 HFAA Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F 19953544 DYYQEHYIYRSIGC-UHFFFAOYSA-N 421.498 2.576 0 50 HFAA CCCO[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC(C)(C)C)n2CCOC)C1 55042426 KQWPOZROURNRHU-SFHVURJKSA-N 415.600 2.740 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)[C@H](c2ccccc2F)N1C 55212123 HWYUKHHODMOFNU-QRFRQXIXSA-N 400.450 2.685 0 50 HFAA COc1ccc(-c2cn3c(C(=O)NC4(C(N)=O)CCCC4)csc3n2)cc1F 67834054 KDNBNJKRJLIUMJ-UHFFFAOYSA-N 402.451 2.738 0 50 HFAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)s1 77356645 NXMMXTNULPMYKE-UHFFFAOYSA-N 409.537 2.514 0 50 HFAA CC[C@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1 77425794 NGMVCOLGMIRVGV-AWEZNQCLSA-N 405.520 2.933 0 50 HFAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCC1)CC2 77555444 BPVADQYPDXEKHB-LJQANCHMSA-N 406.548 2.561 0 50 HFAA COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc(OC)c1O 96851487 OQYCUNWKYZNNTM-FQEVSTJZSA-N 400.519 2.787 0 50 HFAA O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 170637739 IYFUESDFTKCRPN-QGZVFWFLSA-N 417.483 2.652 0 50 HFAA CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2nc3cc(Cl)ccc3s2)cn1C 225695005 JXAIPKFACXSPHY-UHFFFAOYSA-N 412.924 2.815 0 50 HFAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239135329 LBSIMHOZLIGMKS-KOTFVYEZSA-N 404.466 2.758 0 50 HFAA Cc1c(NC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)cccc1N1CCNC1=O 787700050 RXSSRBPDWGBZMM-BQYQJAHWSA-N 420.473 2.795 0 50 HFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cccc(OCCCN3CCCCC3)c1)C2 1772712782 YTRJAKYQPHVMGD-OFNKIYASSA-N 402.535 2.865 0 50 HFAA O=C(O)c1conc1CNS(=O)(=O)c1cc2c(Br)cccc2s1 2325826685 JOZGXBKNYNYGTQ-UHFFFAOYSA-N 417.262 2.829 0 50 HFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)cc1F 2356146785 VLCBGZDQHYQNRA-VXKWHMMOSA-N 413.489 2.842 0 50 HFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(I)cc1 629266 KHFKRTIOLUPKRD-CYBMUJFWSA-N 400.216 2.824 0 50 HFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)C1 2808123 QNBOMQWFSFEVNC-GOSISDBHSA-N 412.515 2.695 0 50 HFAA COc1ccccc1N1CCN(C2CCN(C(=O)COc3ccccc3)CC2)CC1 4703419 PFRROANZSXUUQI-UHFFFAOYSA-N 409.530 2.887 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1 6125587 XOBWNSNGCNNRGB-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4ccnn4C)CC3)c2)s1 12372847 HKDZQLXCKOUVKU-UHFFFAOYSA-N 410.503 2.738 0 50 HFAA COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@H](O)CN1CCSCC1 14974657 BZVRHOZBWHQLSM-HXUWFJFHSA-N 420.550 2.913 0 50 HFAA CN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(Cl)s3)cc2)CC1 23358562 XGWBWIBMRBKMLM-KRWDZBQOSA-N 409.983 2.678 0 50 HFAA C[C@H]1CN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)CCN1 82161736 PJQIGTHEJZZGGI-NRFANRHFSA-N 412.622 2.616 0 50 HFAA COc1cc(Cl)cc(CN2CC[C@H](N(C)CCc3ccccn3)[C@@H](O)C2)c1OC 207878449 DIFCZOQIDKDBRL-PMACEKPBSA-N 419.953 2.862 0 50 HFAA O=C(Nc1ccc(I)cc1)[C@H]1[C@H]2C=C[C@H]([C@H]1C(=O)O)[C@@H]1C[C@@H]21 229835567 YKMYHUNAHTVSPY-WCBJTDJXSA-N 409.223 2.999 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239038530 DJNCQJOYNJLCIF-IQZKRHMFSA-N 422.481 2.632 0 50 HFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(CC)CC)cc1 244773903 PINLPLCLAXZGLQ-VAWZGJIGSA-N 419.518 2.699 0 50 HFAA O=C(NCc1cccnc1)c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2 263615508 CTGWHBDPPSUHFD-INIZCTEOSA-N 414.263 2.637 0 50 HFAA Cc1nnc2c(NCC3(c4cccc(Br)c4)CCOCC3)nccn12 466908786 TZRYZCBQHWCNKA-UHFFFAOYSA-N 402.296 3.356 0 50 HFAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 498745087 FZXGEGOEHVQNIF-BTHPGYMESA-N 409.530 2.604 0 50 HFAA COC(=O)Nc1ccc(NC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1 742047172 GMTFPYBYGPDFQK-LLVKDONJSA-N 415.475 2.879 0 50 HFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 769524065 XMJRCEBJSGSXGM-KEYYUXOJSA-N 415.506 2.524 0 50 HFAA O=C(CN1C(=O)CCOc2ccccc21)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782538526 FBNVCWJJWXNKGI-AWEZNQCLSA-N 422.407 2.881 0 50 HFAA C[C@@]1(c2cccc(CNC(=O)N[C@H]3CCCc4c(F)cccc43)c2)NC(=O)NC1=O 1468501590 YEAZZYQOWDIFBQ-AVRDEDQJSA-N 410.449 2.757 0 50 HFAA Cc1cccc(-c2nccn2C[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857667594 ZKTOKMATVXSFCU-NRFANRHFSA-N 423.561 2.603 0 50 HFAA CN(Cc1ccccc1)S(=O)(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857697324 PFKQYCUSJBICJM-UHFFFAOYSA-N 410.543 2.865 0 50 HFAA COc1ccc(Cc2nc([C@@H]3C[C@@H]4CC[C@H]3O4)n(CCc3cnc[nH]3)n2)cc1OC 1857738323 CATYIFHUVHWDAZ-RCCFBDPRSA-N 409.490 2.887 0 50 HFAA Cc1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cnn1CC1CCOCC1 1875263482 UIUHHMIHQISZCZ-UHFFFAOYSA-N 407.478 2.859 0 50 HFAA Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@@H]43)n2)cc1 4594094 TZMMNMNLKAIQRX-FPOVZHCZSA-N 402.502 2.791 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)Cn2nc3ccccc3n2)C1 11701817 NMGQEHYIRWMTBW-QHCPKHFHSA-N 424.476 2.985 0 50 HFAA Cc1ncoc1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12204426 HTYMVTCRWREKSB-INIZCTEOSA-N 412.467 2.787 0 50 HFAA O=C(NCc1ccc(C(F)(F)F)cc1F)c1cc(CN2CCC[C@H](O)C2)on1 12706399 NIUBCNKXEMOQOZ-ZDUSSCGKSA-N 401.360 2.719 0 50 HFAA O=C(NCCOc1cccnc1)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 14996190 KSPOICODFNBXHO-UHFFFAOYSA-N 417.425 2.921 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3c(F)cccc3F)C[C@H]2C(=O)NCC)CC1 19940030 OKGGVGTUUZUIPD-IERDGZPVSA-N 408.537 2.508 0 50 HFAA Cc1cc([C@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1 38628586 IRTDIKMSKMREGO-HNNXBMFYSA-N 408.458 2.711 0 50 HFAA in-vitro COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(Cl)cc2)CN1Cc1ccccc1 39544252 IQBJLUATQWLQAJ-RTWAWAEBSA-N 401.938 2.835 0 50 HFAA C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 223213242 JDZDHQJHNYHAKL-HNAYVOBHSA-N 414.527 2.666 0 50 HFAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 253416363 KJXJVMPUZOSEFQ-QGZVFWFLSA-N 407.470 2.755 0 50 HFAA CC(C)c1noc2nc(C3CC3)cc(-c3nc(CS(=O)(=O)NC4CC4)no3)c12 445687700 YEMNLKNNLWXORJ-UHFFFAOYSA-N 403.464 2.855 0 50 HFAA O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 682809914 CDFILOFLSXAQTC-IBGZPJMESA-N 402.926 2.823 0 50 HFAA C[C@H]1CCCN(C(=O)CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 1263136285 ZKLVJCJMMAHLNS-BLLLJJGKSA-N 402.322 2.975 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(C3CSCCSC3)C[C@]23CC[C@H]1O3)c1ccccc1 1857724202 POSJNCGYBDCWRJ-QEUVDIPISA-N 404.601 2.744 0 50 HFAA COC(=O)/C=C/CCNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 1875311875 OFUKWPBLMUIBKO-PYEVWLCESA-N 403.504 2.690 0 50 HFAA Cc1ccc2c(c1)C[C@H](C(=O)N1CCN(C(=O)c3ccc4nc[nH]c4c3)CC1)S2 1875342304 KHMMBOPGKOIEPE-HXUWFJFHSA-N 406.511 2.873 0 50 HFAA CC(C)(O)[C@H]1CN(c2nnc(-c3ccc(F)cc3Cl)n2C[C@H]2CCCO2)CCO1 2325840278 WFPPPZLIIBBDLW-RHSMWYFYSA-N 424.904 2.893 0 50 HFAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4ccccc4C(F)F)cccc3C2=O)C(=O)N1 2325895616 FISMPTFRCHKXPU-MRXNPFEDSA-N 413.380 2.638 0 50 HFAA CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1ccc(OC)cc1 1424668 MBBXYEPIGVZHCE-QGZVFWFLSA-N 416.455 2.575 0 50 HFAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 2879908 URKNIBFQRILCCH-KRWDZBQOSA-N 422.437 2.891 0 50 HFAA COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)cc1OC 4708636 IRAVWYZHKHRJPQ-ZDUSSCGKSA-N 404.426 2.678 0 50 HFAA Cc1ccc2nsnc2c1N1CC(=O)N(c2c(C)ccc3nsnc23)CC1=O 4753587 FYEKSOKYFANWCC-UHFFFAOYSA-N 410.484 2.693 0 50 HFAA C[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 11788297 YHLKFHMELWFJJK-AOMKIAJQSA-N 419.953 2.547 0 50 HFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cccn1 12716839 FDEDLMAMQZUPFJ-FQEVSTJZSA-N 415.557 2.715 0 50 HFAA COc1cccc(OC[C@H](O)CN2C(=O)CC[C@H]2CCNCc2ccc(F)cc2)c1 14879593 MNZSNZZTGRBAQX-VQTJNVASSA-N 416.493 2.745 0 50 HFAA COc1ccc(Br)cc1/C=c1\sc2nc(-c3cccnc3)nn2c1=O 16265813 XTNFTTSUOJBYGA-ZSOIEALJSA-N 415.272 2.532 0 50 HFAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1C 20997598 KVFXJBYHXAFQKI-UHFFFAOYSA-N 407.518 2.827 0 50 HFAA CN(C)CCN(C)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91391001 AVPYROJJJWRXJG-SFHVURJKSA-N 413.566 2.529 0 50 HFAA CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C 109681787 YAYJRGIJTCLOQU-QGZVFWFLSA-N 404.536 2.633 0 50 HFAA COCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc21 170603874 NREHFMFVRUVLKE-INIZCTEOSA-N 401.507 2.793 0 50 HFAA NC(=O)c1ccccc1CC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 170612114 IAXKOFDEHIYQAT-UHFFFAOYSA-N 401.772 2.590 0 50 HFAA CCCOc1c(Br)cc(C(=O)NCCc2nnc3n2CCC3)cc1OC 225504990 PAZUKFYFKKQEFV-UHFFFAOYSA-N 423.311 2.757 0 50 HFAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3nc(C)c(C)s3)N=C2O)cc1 252537368 KZNDRLACFOQSIK-MRXNPFEDSA-N 416.503 2.855 0 50 HFAA COc1ccc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)nn2-c2ccccc2)cc1 494736198 CBESRHXUVJOGCE-MRXNPFEDSA-N 404.470 2.851 0 50 HFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1nc(-c2ccccc2F)ccc1=O 888088722 OEDPELKEJZGCPN-UTKZUKDTSA-N 412.509 2.772 0 50 HFAA COc1ccccc1[C@@H](CNC(=O)c1cn(C2CC2)nn1)NC(=O)OC(C)(C)C 1354646803 RKAMOERSVGOQLE-OAHLLOKOSA-N 401.467 2.617 0 50 HFAA COc1ccc(CCNC(=O)CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 1506420998 SBKUNHWCQRLEPM-QHCPKHFHSA-N 407.558 2.529 0 50 HFAA CCCCc1ncc(CN2C[C@@H]3CN(c4ncc(Cl)cc4F)C[C@@]3(CO)C2)[nH]1 1772813926 BKTZQKUPRMMCMJ-JLTOFOAXSA-N 407.921 2.871 0 50 HFAA C[C@@H](CCNC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O)N(C)C 1857530971 JIKITMUSEKMSIZ-XJKSGUPXSA-N 411.344 2.584 0 50 HFAA CC[C@@]1(C(=O)NCC2=CCCCC2)C[C@@H]2CC[C@H]1N2Cc1cn(CCO)nc1C 1875247833 QHBHEGWJAVGRJE-QZNHQXDQSA-N 400.567 2.934 0 50 HFAA COc1ccc([C@@H]2[C@@H](C(=O)NS(C)(=O)=O)CCC(=O)N2c2ccc(C)cc2)cc1 1875391082 KAYZLWBIUKCEQQ-AZUAARDMSA-N 416.499 2.564 0 50 HFAA Cn1ccc2ccc(C(=O)N3CCC[C@@]34CCCN(Cc3ccccn3)C4=O)nc21 2356134472 ONIUGRNWDBRNFU-HSZRJFAPSA-N 403.486 2.766 0 50 HFAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)C1 2356156833 STNUWIGHSZZKTQ-YJBOKZPZSA-N 404.404 2.842 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1 634918 GVVOLIWKQQARAM-KRWDZBQOSA-N 416.455 2.863 0 50 HFAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(OC)c(OC)cc1OC 816043 BHFXNPMLMDIZIS-UHFFFAOYSA-N 405.447 2.635 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 3105410 GSUOYFMALKWGSV-HNNXBMFYSA-N 404.488 2.883 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 4026628 PIFDTDZOSWFTGB-SFHVURJKSA-N 409.438 2.855 0 50 HFAA biogenic CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 4821021 SCYFOEMJTBMQMM-FQEVSTJZSA-N 423.469 2.885 0 50 HFAA S=C(NCCOCCOCCNC(=S)Nc1ccccc1)Nc1ccccc1 5090737 SVXPAZOKRGVMTN-UHFFFAOYSA-N 418.588 2.993 0 50 HFAA CC(=O)Nc1ccnn1C1CCN(C(=O)CSc2nc3cc(C)ccc3[nH]2)CC1 11664161 HNVDLSHQMPKPGA-UHFFFAOYSA-N 412.519 2.982 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccc(CC)cc2)cc1 11765801 XFQMUMMWDBFXDB-HSZRJFAPSA-N 423.557 2.997 0 50 HFAA COc1ccc(F)c(C[C@]2(CCC(=O)NCc3nc(C)cs3)CCC(=O)N2)c1 12098555 KAWAKKBEZFVCRE-FQEVSTJZSA-N 405.495 2.887 0 50 HFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(CCc1ccccc1)CC2 14536821 VZOGVTAJUXWNHE-UHFFFAOYSA-N 406.530 2.986 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccc(C)o3)cc2)CC1 14975008 ZZJFIKUVELJBCM-FQEVSTJZSA-N 416.518 2.503 0 50 HFAA COc1ccc(CNCCC2=CCCCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 20536215 LXXHBLPKFICASK-QFIPXVFZSA-N 417.594 2.662 0 50 HFAA NC1CCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 67692184 LFYVJJKBIWVXTK-UHFFFAOYSA-N 405.546 2.798 0 50 HFAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 72437133 RXQXIRWHVMSYRW-UHFFFAOYSA-N 409.534 2.573 0 50 HFAA CC(C)NC(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82096704 MUWWAYPPAHUWIO-HXUWFJFHSA-N 400.567 2.640 0 50 HFAA O=C1N[C@H](CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587244 DVCRTJHJIKKCMZ-MOPGFXCFSA-N 417.469 2.757 0 50 HFAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 263617754 PLXGZACHBUMZOJ-NRFANRHFSA-N 422.529 2.841 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCn1ccc2ccccc21 886025708 WAVPJZVZORDPJJ-LJQANCHMSA-N 404.470 2.679 0 50 HFAA Fc1ccc(-n2cccn2)c(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 952980544 LGVLNBIFWYHDNB-SILAFFCESA-N 417.532 2.669 0 50 HFAA CCN1C[C@H](CNC(=O)c2c(N3CCCC3)noc2-c2ccc(OC)cc2)CC1=O 1704306608 QFOXSXBHYFTLNE-HNNXBMFYSA-N 412.490 2.549 0 50 HFAA Cc1ocnc1C(=O)N1CCC2(CC1)OCCc1cc(OCc3cnn(C)c3)ccc12 1857679625 ZLHOMYILWPFNMD-UHFFFAOYSA-N 422.485 3.000 0 50 HFAA CSc1ccc(-n2cc(CCC(=O)N3CC4(CCC4)C[C@H]3C(=O)O)nn2)cc1 1875354255 SGFBGKCGKPFCNL-KRWDZBQOSA-N 400.504 2.778 0 50 HFAA COCCC[C@@]1(CO)CN(Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1O 2356144668 IKQFNPWCWJXATF-PKTZIBPZSA-N 400.519 2.633 0 50 HFAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 909084 ZSDOFPOOXFKXDY-GJYPPUQNSA-N 424.375 2.895 0 50 HFAA COc1ccc(OCC(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 4745848 YOHQDYZWNJEKCU-UHFFFAOYSA-N 423.557 2.883 0 50 HFAA CCOC(=O)CN(C)Cc1ccc(OC[C@H](O)CN(C)C2CCCCC2)c(OC)c1 12028650 DXFGDTWKEHZSBL-HXUWFJFHSA-N 422.566 2.694 0 50 HFAA Cn1nccc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12754868 ULHOUNPRTJNBFS-QHCPKHFHSA-N 422.573 2.921 0 50 HFAA COc1cccc(CN(C)Cc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 15066234 HHNAXXYZPMNQQV-NRFANRHFSA-N 418.509 2.538 0 50 HFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2nccn2C)CC1)c1ccccc1 15080272 KKUXJIPJTPSHMY-OAQYLSRUSA-N 408.506 2.780 0 50 HFAA Cc1cccn2c(CN3CCC[C@@H](O)C3)c(C(=O)N(C)CCc3ccccc3)nc12 19113056 IKLFADLXHJFBAE-HXUWFJFHSA-N 406.530 2.914 0 50 HFAA Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)n1 19771262 WNUPPTYWQUROJE-IBGZPJMESA-N 418.545 2.850 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1 20541361 DCWVHXLGVAEAFZ-IBGZPJMESA-N 402.564 2.666 0 50 HFAA CCOC(=O)c1cc(I)c(O)c(I)c1 32292373 AVFDHVCJEMRWFS-UHFFFAOYSA-N 417.968 2.778 0 50 HFAA COc1ccc(C)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 54274393 AISYIQGVADELBJ-UHFFFAOYSA-N 423.496 2.976 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ncccc2C)n1C[C@@H]1CCCO1 55343364 HBMBCZVXBFPINC-SFHVURJKSA-N 406.552 2.581 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 82115716 OYVWHUBJVAUHLS-HXUWFJFHSA-N 408.546 2.780 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3cnc(-c4ccncc4)nc3)[C@@H](C)C2=O)c1 95363755 AXSJGKSGAIOSRV-KRWDZBQOSA-N 401.470 2.720 0 50 HFAA Cn1[nH]cc2/c(=N/S(=O)(=O)c3ccc(Br)c(Cl)c3)ccnc1-2 225397101 PXEIBWLKLKVWCR-LDADJPATSA-N 401.673 2.559 0 50 HFAA CCc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)nc(C)n1 328606050 QEEPSFRQJMGEGK-OYHNWAKOSA-N 408.481 3.304 0 50 HFAA O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CO)C1 1772807300 LZMCGMDWGCKENS-PGRDOPGGSA-N 412.511 2.548 0 50 HFAA CCC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3cccc(C)c3C)[C@@H]2CC(C)C)C1 1857727051 JDHQFVZCDKVESZ-ACRUOGEOSA-N 413.562 2.804 0 50 HFAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2nccn2C)C1 1875248633 CMHCTWKNHFNTPT-XMMPIXPASA-N 417.561 2.994 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC[C@@H]1COc2ccccc2O1 1940193692 IUZJUFXUPQXFMK-GOSISDBHSA-N 420.465 2.924 0 50 HFAA O=C1CO[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@@H](c2ccccc2)N1 1940197841 WCQYMHSVUNGEOX-RTWAWAEBSA-N 405.454 2.790 0 50 HFAA CC(C)(COc1ncccc1Br)NC(=O)Nc1cnn2cccnc12 2325818573 KVJWZFKCQBEXAA-UHFFFAOYSA-N 405.256 2.866 0 50 HFAA CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 629228 SCZDJTJZWWSZSL-UHFFFAOYSA-N 417.513 2.703 0 50 HFAA NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 891554 WLOVBQUUQRRISO-UHFFFAOYSA-N 409.511 2.975 0 50 HFAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1 2853387 JMPTWWTWKBHUKL-UHFFFAOYSA-N 420.495 2.554 0 50 HFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 4199873 OZNNITJTDPGVCK-UHFFFAOYSA-N 424.544 2.695 0 50 HFAA CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)NCc1ccco1 9049463 VPYXSMLRIJZOMO-UHFFFAOYSA-N 402.476 2.887 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 14973563 CUZVXQKIGFUSKQ-HXUWFJFHSA-N 421.545 2.766 0 50 HFAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)ccc1C 16651070 SJKDGXBWMOTSLJ-UHFFFAOYSA-N 420.425 2.545 0 50 HFAA Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCC3)cc1 17082407 PCANOLAPIIBMFM-UHFFFAOYSA-N 402.472 2.515 0 50 HFAA Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1 20785159 DFSLNOJSSUOOQQ-SFHVURJKSA-N 404.518 2.839 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1 64002307 JWZRJFNAAONEHC-MAUBAPBLSA-N 406.490 2.719 0 50 HFAA COC(=O)C[C@H](c1c(O)n2cc(Cl)ccc2nc1=O)c1cccc2nccnc12 206253720 OMESGOKRSSLJEP-ZDUSSCGKSA-N 410.817 2.692 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cc(F)cc(F)c4)c3CO2)cc1 263615195 BBWQMDMZMWHMKK-SFHVURJKSA-N 400.385 2.766 0 50 HFAA Cc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1Br 334162460 UQLODOXJBNHCAI-HNNXBMFYSA-N 402.248 2.837 0 50 HFAA CCn1cc(NC(=S)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cn1 789333843 UBQMEJJWWXCXNM-HXUWFJFHSA-N 412.519 2.615 0 50 HFAA CCN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)[C@@H]1CCS(=O)(=O)C1 952984553 XSPSCJVQIBTVJR-JOCHJYFZSA-N 412.555 2.894 0 50 HFAA O=C1NCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 1506422668 BAGGBVKKJOCQJX-MRXNPFEDSA-N 400.834 2.621 0 50 HFAA Cc1cccc(-c2ncc(CN3CCCN(C(=O)[C@H](C)n4cccn4)CC3)cn2)c1 1775979856 NXKGPWFDLZICBJ-IBGZPJMESA-N 404.518 2.944 0 50 HFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857721886 KLMKCVXQFXNKET-NSHDSACASA-N 420.872 2.661 0 50 HFAA CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 810731 PQWGVSTWFDUDHQ-UHFFFAOYSA-N 410.517 2.671 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccc3Cl)CC2)cc1 1054655 NUMRVSWVFSMBHI-UHFFFAOYSA-N 410.952 2.506 0 50 HFAA COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Br 1069179 HCSJQHMOMFSCCU-UHFFFAOYSA-N 400.250 2.665 0 50 HFAA CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCCCC2)(c2ccccc2Cl)C1=O 11783276 ZKXVFYRRMQAGGO-JOCHJYFZSA-N 419.953 2.691 0 50 HFAA Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c2c(n1Cc1ccccc1)CCCC2=O 12299077 YJBYYRRVEQXWOO-UHFFFAOYSA-N 407.514 2.630 0 50 HFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccccc2)CC1 12324645 FWZMQYVTHMQSQE-UHFFFAOYSA-N 417.513 2.584 0 50 HFAA biogenic Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)o1 14967409 CJEMVXCPFXGIBR-QGZVFWFLSA-N 409.408 2.614 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 14977333 QLSPOZBGOBIKLH-KRWDZBQOSA-N 416.518 2.916 0 50 HFAA COc1ccc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)c(F)c1 19741990 LBYMKUNACGGNQD-INIZCTEOSA-N 400.585 2.552 0 50 HFAA Cc1cccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3cccc(F)c3)n2)c1 20542994 SLHCABCQUWZLRC-UHFFFAOYSA-N 421.520 2.980 0 50 HFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCc1cn2nc(C)sc2n1 23339792 HXBHJLUVKHDYLS-UHFFFAOYSA-N 411.535 2.909 0 50 HFAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCC[C@@H](C)N3CCCC3)CC2)c1 72437782 LCABZHIIDKHLOQ-LJQANCHMSA-N 421.607 2.527 0 50 HFAA Cc1n[nH]c(C)c1CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91724916 YEJCYVLXAPLWLR-UHFFFAOYSA-N 406.273 2.937 0 50 HFAA CCN(CCCNC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3)c1ccccc1 169760148 KNWOHATWSFTQCZ-UHFFFAOYSA-N 421.545 2.798 0 50 HFAA COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)ccc21 170603875 NREHFMFVRUVLKE-MRXNPFEDSA-N 401.507 2.793 0 50 HFAA Cn1nc(C(F)(F)F)nc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 225617432 JYXWXVMZCWRXRM-UHFFFAOYSA-N 409.324 2.697 0 50 HFAA COc1cnc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)nc1 225795898 QVBUVVPUGRTERO-UHFFFAOYSA-N 424.910 2.590 0 50 HFAA Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1C[C@H]1CCCO1 248019503 LYQCJWCNTGDPHH-SRVWHDFXSA-N 401.507 2.967 0 50 HFAA Cc1n[nH]c(C)c1CNC(=O)CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252497132 PZTPULAMKOUSOV-GOSISDBHSA-N 405.458 2.906 0 50 HFAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1 408525082 KDWAZGUBTBHGEK-UHFFFAOYSA-N 411.487 2.625 0 50 HFAA COc1ncc(CN(C)[C@@H]2CCCC[C@H]2N(C)Cc2cnc(OC)nc2C)c(C)n1 499611033 NBCHMSNXFPUSSM-WOJBJXKFSA-N 414.554 2.776 0 50 HFAA CCOc1cc(CN(C)C[C@H]2CCN(CCOC)C2)ccc1OCCn1ccnc1 952963604 HFYKDKMDTQCKMC-OAQYLSRUSA-N 416.566 2.761 0 50 HFAA CCOc1cc(CN(C)CC2CCN(CCOC)CC2)ccc1O[C@H](C)C(=O)O 1506405868 XKQRIUXUPQIXNN-QGZVFWFLSA-N 408.539 2.727 0 50 HFAA COc1cc(OC)c(C(=O)CCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1OC 1529178869 SBLXUEGSFRUXBF-GEEKYZPCSA-N 405.491 2.683 0 50 HFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CO)C1 1772810440 GRJOUBXXOLKFDN-JLTOFOAXSA-N 416.934 2.844 0 50 HFAA O=C(CCCc1cn[nH]c1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857673281 MYAVPPAXEPHLKQ-HSZRJFAPSA-N 418.501 2.797 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4c(C)n[nH]c4C)CC3=O)sc2c1 1857701692 YQZURRFWEWHIHK-CYBMUJFWSA-N 413.503 2.704 0 50 HFAA C=CC(=O)N[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@H]1c1cccc(F)c1 1875383495 WTDSIRJUVAABEE-DLBZAZTESA-N 414.481 2.736 0 50 HFAA O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NC1CCOCC1 2325709760 VWRZTHGSPXKQLC-UHFFFAOYSA-N 401.513 2.835 0 50 HFAA O=C(O)c1c(N2CCC(O)(Cn3ccnc3)CC2)noc1-c1ccc(Cl)cc1 2356143808 XGSPZDMKXKCUPU-UHFFFAOYSA-N 402.838 2.921 0 50 HFAA COc1ccc(OC)c(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1 795495 AURUKPHQIOVKDR-UHFFFAOYSA-N 412.530 2.937 0 50 HFAA Cc1nn(CCC(=O)Nc2cnn(COCC(F)(F)F)c2)cc1Br 2802536 JWXYUBYSOQKOCS-UHFFFAOYSA-N 410.194 2.716 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 2872083 NGWHOWILQNGTQB-UHFFFAOYSA-N 416.377 2.839 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(C)=O)C3)CCC(=O)N2)c(F)c1 11973950 RBCOPJIZSDLEIA-JTSKRJEESA-N 404.482 2.633 0 50 HFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)CSc3nncn3C)CC2)c1 12094300 BDTATFVBIYUVKX-UHFFFAOYSA-N 401.536 2.873 0 50 HFAA CN(C)C[C@@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 12206532 FETKCSYQQSCCBL-OAQYLSRUSA-N 403.954 2.964 0 50 HFAA COc1cc(CNCC2CCCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 12373379 PCLGMRFOUSPYKY-NRFANRHFSA-N 406.567 2.562 0 50 HFAA Cc1ccoc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12471057 RKZPGPILDKXCEQ-LJQANCHMSA-N 410.518 2.964 0 50 HFAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccsc3)[C@@H]4C2=O)c1 77505355 XISILWGKSVRFAE-VAWZGJIGSA-N 408.523 2.997 0 50 HFAA CN(Cc1ccccn1)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82116297 WSCWVAZIYJKNQV-OAQYLSRUSA-N 407.562 2.812 0 50 HFAA CC[Sn](CC)(CC)OC(=O)CN1C(=O)c2ccccc2C1=O 196005674 RJBADMPNNGSGOY-UHFFFAOYSA-M 410.058 2.831 0 50 HFAA COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 241126183 JKDKHMMBJKMLBJ-OAHLLOKOSA-N 416.421 2.771 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H](C)CC(N)=O)csc3C2)nc1 426693774 OLHUESRKRVQMEI-AWEZNQCLSA-N 400.548 2.600 0 50 HFAA O=C(O)c1csc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 486369940 CQWUXTWWQKPAKT-UHFFFAOYSA-N 420.450 2.530 0 50 HFAA CCc1nn(C)c(Cl)c1CN1CCC(CNC(=O)CCc2cccnc2)CC1 823560254 GAEGOAMRQALLIF-UHFFFAOYSA-N 403.958 2.992 0 50 HFAA COc1ccccc1[C@H](NC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1nccn1C 888093288 OSLHJDIKNOTRMT-NWGLXNPWSA-N 412.490 2.945 0 50 HFAA CN1CC2(CCN(C(=O)Cc3ccccc3OCc3ccccc3)CC2)OCC1=O 1772810236 DSIWCVAQWIBGFL-UHFFFAOYSA-N 408.498 2.658 0 50 HFAA O=C(C1CCCCCC1)N1CC[C@@]2(CN(Cc3nc(C(F)(F)F)no3)CCO2)C1 1857693820 OBZHHGWMTVIXMX-GOSISDBHSA-N 416.444 2.862 0 50 HFAA O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1 675671 AOSFFZFQZMFGBY-UHFFFAOYSA-N 407.517 2.971 0 50 HFAA COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl 814464 ADQDKKFZLYNTFC-INIZCTEOSA-N 422.890 2.975 0 50 HFAA Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 1063138 KBWZDOAQASWBLH-QGZVFWFLSA-N 419.522 2.637 0 50 HFAA CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCCCC2)(c2ccccc2Cl)C1=O 11783275 ZKXVFYRRMQAGGO-QFIPXVFZSA-N 419.953 2.691 0 50 HFAA CN(Cc1ccon1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11815217 YHLDSJYPXAOKCN-JOCHJYFZSA-N 413.449 2.802 0 50 HFAA COCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC 12218171 LOFLFPMURVVWRN-UHFFFAOYSA-N 421.501 2.683 0 50 HFAA CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)n[nH]1 12302840 PTBQHJJRRRGYBQ-MRXNPFEDSA-N 400.527 2.617 0 50 HFAA COc1ccc(-c2cnnc(N3CCC(N4CCSCC4)CC3)n2)cc1OC 14956072 YLBGZRPACOYDQJ-UHFFFAOYSA-N 401.536 2.573 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nn1 14993257 HIBHFLKKJFKFSJ-IBGZPJMESA-N 412.538 2.631 0 50 HFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1)NC1CCCC1 16623105 IVRNKSRPFASURC-UHFFFAOYSA-N 409.895 2.973 0 50 HFAA C[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CCCCC2)C1 17088033 BIXMOXXOGZBLHH-LBPRGKRZSA-N 408.520 2.975 0 50 HFAA c1csc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 23360067 FJEWYRQOFKPBJT-GOSISDBHSA-N 400.548 2.654 0 50 HFAA Cc1ccccc1OCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 109525625 JYIGZUMYSMCWRC-UHFFFAOYSA-N 402.516 2.591 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)N1CCCc2ccccc21 169752485 WMLBWTUAAZRCIJ-UHFFFAOYSA-N 414.465 2.635 0 50 HFAA COc1ccc(CN2C=C(C(=O)OCc3ccc(F)cc3)C(C)=NS2(=O)=O)cc1 169755175 AMTNQUZRMLWXCR-UHFFFAOYSA-N 418.446 2.983 0 50 HFAA COc1cccc(CCC(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)c1 169776342 LROMUYYZVKWJAA-UHFFFAOYSA-N 418.457 2.914 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)s4)ccn3n2)cc1 169776345 TXIQMQDUMULWIX-UHFFFAOYSA-N 408.483 2.972 0 50 HFAA CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239338609 KUYCXVIVTIVWJU-HCBXVSRCSA-N 421.493 2.879 0 50 HFAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN21 248337521 QDMNMWPJLHBOTO-RAZUEPIFSA-N 419.456 2.874 0 50 HFAA CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 253423138 ONHHUXSNVFTMJO-IBGZPJMESA-N 415.534 2.803 0 50 HFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 734952772 CELDSXVHHWNJOS-KBXCAEBGSA-N 424.423 2.920 0 50 HFAA COc1ccc2[nH]c(=O)c(-c3nccn3-c3cccc(N4CCNC4=O)c3)cc2c1 1857694721 IOZLIHNCWDDIMU-UHFFFAOYSA-N 401.426 2.919 0 50 HFAA Cn1nc(C(=O)Nc2nc3c(c(C(F)(F)F)n2)CCCC3)c2ccccc2c1=O 1875247146 XYAQLHLFJCYUNE-UHFFFAOYSA-N 403.364 2.873 0 50 HFAA NCc1nc2ccc(NC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)cc2[nH]1 1875352813 QEIOYLXWJQECRL-UHFFFAOYSA-N 401.352 2.873 0 50 HFAA C[C@H](NC(=O)c1cnc2[nH]c(O)nc2c1)c1csc(NC(=O)OC(C)(C)C)n1 1875358940 NUDXYXQPNCUMJL-QMMMGPOBSA-N 404.452 2.958 0 50 HFAA COc1cccc(N2CCN(C(=O)c3cnc(-c4ccccc4)n3C)[C@H](C)C2=O)c1 2100556824 IXRBSGLLRFZPEP-MRXNPFEDSA-N 404.470 2.973 0 50 HFAA CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 4838960 ZMYOBPATWDHAGG-INIZCTEOSA-N 420.531 2.809 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4856224 UMGHODVXRAIRPU-LJQANCHMSA-N 402.516 2.536 0 50 HFAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCCN(Cc2ccccn2)CC1 11665012 AYINMSPFFFOEGY-UXBLZVDNSA-N 402.502 2.735 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3ccncc3C)cc2)CC1 11666554 ZQYKXAINBGZWAK-UHFFFAOYSA-N 411.502 2.726 0 50 HFAA C=CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2 12282809 URTDWYBEGVSHKZ-SFHVURJKSA-N 416.518 2.554 0 50 HFAA CS(=O)(=O)c1ncc(CN2CCC(N3CCCC3)CC2)n1CC1CCCCC1 12304753 YSTLRLGDJFXHDV-UHFFFAOYSA-N 408.612 2.927 0 50 HFAA COc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1OC1CCN(C)CC1 12432324 DUZQAIXFRVGDBC-GOSISDBHSA-N 412.486 2.738 0 50 HFAA CSCCC(=O)N1CC(=O)N(Cc2cccnc2)C[C@H](OCc2ccccc2)C1 14531097 IEAVVOGLIZCKMV-FQEVSTJZSA-N 413.543 2.591 0 50 HFAA COc1cc(CN(Cc2cccnc2)C(=O)Cn2cccn2)ccc1O[C@@H]1CCOC1 14996140 INFHHKJRTQIQAL-HXUWFJFHSA-N 422.485 2.683 0 50 HFAA CN(Cc1cc(C2CC2)[nH]n1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15062143 DUUNTZNUSCFNAS-OAQYLSRUSA-N 404.461 2.551 0 50 HFAA COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 39478843 IPSCPIRTSVKSFN-NRFANRHFSA-N 424.545 2.998 0 50 HFAA Cn1cc(Cl)c(C(=O)N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)n1 91997949 MUVTWNFKYFEBDR-UHFFFAOYSA-N 401.898 2.514 0 50 HFAA C[C@@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N1CCOCC1 170623441 FYTRRFQEWZPOFM-SECBINFHSA-N 424.217 2.837 0 50 HFAA CC(C)(C)c1cc(NC(=O)CN2CC[S@](=O)CC2(C)C)n(-c2ccccc2)n1 225409313 UONMQUSMEIRXKA-NDEPHWFRSA-N 402.564 2.951 0 50 HFAA NC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O 253394625 AETXLWVGSXFUOM-GOSISDBHSA-N 407.470 2.887 0 50 HFAA biogenic O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)C1(N2CCOCC2)CCCCC1 828924900 DOXGPQWWENUKHN-HXUWFJFHSA-N 401.551 2.508 0 50 HFAA O=C(Nc1ccc2c(c1)CCNC2=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 1476855243 QCXYZPGPFKRSKE-KRWDZBQOSA-N 412.877 2.943 0 50 HFAA CCc1nn(C)c(Cl)c1CN1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529178896 UKESUIBYHMFOAV-RTBURBONSA-N 409.914 2.588 0 50 HFAA CSCC(=O)N1C[C@H]2CN(CCc3nccn3C)C[C@]2(CCc2ccccc2)C1 1772712871 SPQRGPWFBGKAEH-NFBKMPQASA-N 412.603 2.719 0 50 HFAA CCCS(=O)(=O)N1C[C@@H]2[C@H](CCN2c2nc(C(F)(F)F)nc3ccccc23)C1 1775988466 GHRAHBCNLCDWLG-IUODEOHRSA-N 414.453 2.899 0 50 HFAA Cc1cnc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)/C=C/c4ccccc4)C3)C2)cn1 1857681770 AOVVDDRUZSOOFA-PYLZNBAZSA-N 406.530 2.674 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CCc3sccc3C2)C1 1857693552 BGUVMOPOIBOUJL-ZRCGQRJVSA-N 417.619 2.846 0 50 HFAA CC(=O)N[C@H](C)CC(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857735695 GXYMOVIURFMEQO-OAHLLOKOSA-N 408.502 2.570 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCc5nocc5C4)CC3=O)sc2c1 1857739006 IMKRHDWJGFQZDM-LBPRGKRZSA-N 412.471 2.621 0 50 HFAA CCCN1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCn2cccn2)C1 1875247429 VSSJIKWLQDRCSI-DEOSSOPVSA-N 417.561 2.959 0 50 HFAA CN(C(=O)C1CCN(C(=O)c2ccc3[nH]nc(C(=O)O)c3c2)CC1)c1ccccc1 1875301992 WCMNFUWJKKWCEJ-UHFFFAOYSA-N 406.442 2.776 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](C(=O)OC)C3(CCC3)C2)(c2ccccc2)CC1 1875370660 XNRBCWKMYGYJFW-LJQANCHMSA-N 410.514 2.535 0 50 HFAA CC[C@@H](CN(CC)C(=O)c1c[nH]c(C(N)=O)c1)NC(=O)C1=C(SC)CCCC1 2325873018 VQEXSXYTKDFPHI-AWEZNQCLSA-N 406.552 2.662 0 50 HFAA CCC[C@@]1(C(=O)O)CN(Cc2cccc(OCCCn3ccnc3)c2)CC[C@@H]1O 2356146868 YCXLUXAFHFHQQO-RBBKRZOGSA-N 401.507 2.790 0 50 HFAA O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 2812271 OMJFOLLPOMGNLG-UHFFFAOYSA-N 412.298 2.852 0 50 HFAA Cc1cccc(CSCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 2988864 DHLDNMIVLOFZHH-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 5059065 BUNNZYDTDDLTAU-APWZRJJASA-N 414.527 2.959 0 50 HFAA COc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc2c1OCO2 12465259 TWEGTGDGYXIIQN-SFHVURJKSA-N 404.507 2.711 0 50 HFAA Cc1cc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)no1 12710392 KXWDQZVZAUZFIR-AWEZNQCLSA-N 411.911 2.776 0 50 HFAA CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1)S(C)(=O)=O 13681963 POWGJQYPRJUXNF-UHFFFAOYSA-N 403.504 2.863 0 50 HFAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 15671276 CFOIBGHWDQGHKT-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4sccc4C)ccn3n2)cc1 169781053 CCHGQVBRQDRXIV-UHFFFAOYSA-N 408.483 2.972 0 50 HFAA Cc1cc2ncn(C[C@H](O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)c2cc1C 225835568 AVKXJJPNFZBAAI-SBUREZEXSA-N 405.454 2.835 0 50 HFAA CN1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@H]32)C1=O 248049146 QPOIGTWOMRWABZ-KFCXZAFISA-N 407.445 2.829 0 50 HFAA Cc1ccc2c(ccn2CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 334162798 ZMWVCARDXALUBW-IBGZPJMESA-N 404.470 2.597 0 50 HFAA Cc1ccc(C(=O)N[C@H](CC(=O)NCc2cc(C(N)=O)co2)c2ccccc2)cc1 490543270 ZTAVRNIDEGIZPA-HXUWFJFHSA-N 405.454 2.865 0 50 HFAA CCn1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(=O)c2ccc(C)nc21 952980821 MITAMZNPBMLSHL-GOSISDBHSA-N 406.486 2.941 0 50 HFAA COc1ccccc1-n1c(NC(=O)Cc2c(C)nc(O)nc2O)nc2ccccc21 1293630193 NMJQKJGUFKFZCU-UHFFFAOYSA-N 405.414 2.725 0 50 HFAA O=C1CCC(=O)N(c2ccc(C(=O)Nc3ccccc3[C@@H](O)c3ccccn3)cc2)N1 1467756454 XSCYXRHELVIFSF-JOCHJYFZSA-N 416.437 2.574 0 50 HFAA CC(C)C[C@@H](NC(=O)c1cccs1)C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506398991 JFQXSPVEXAOIEC-MRXNPFEDSA-N 417.531 2.860 0 50 HFAA COc1ccccc1-c1ncc(CN2CCC3(CC2)NCC(C)(C)CNC3=O)s1 1772805412 NSESZXYFALGBJY-UHFFFAOYSA-N 414.575 2.899 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4ncccc4c3)C1)CC2 1857732381 OAIJABUFCSPZDX-QHCPKHFHSA-N 403.486 2.917 0 50 HFAA CCCCc1nc(C(=O)NCCN(C)C(=O)C[C@@H]2CSCCS2)cs1 1875348125 YANQBKFSCJGIRV-CYBMUJFWSA-N 401.623 2.913 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 1875371848 NITSWDYDMIAHFV-NVXWUHKLSA-N 412.408 2.910 0 50 HFAA CN(CC(=O)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1)c1ncnc2[nH]cnc12 2325738794 ZHDNEVLYYAPJGV-MRXNPFEDSA-N 420.452 2.682 0 50 HFAA Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]4CCCN4[C@]34C(=O)Nc3ccccc34)nc2c1 2356161418 VDQAVDNBYIAMGI-VUMVONDWSA-N 415.497 2.591 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1 817183 GOFZSGKONDBRPS-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 1111063 UNJMEMVIIONFRO-UHFFFAOYSA-N 416.377 2.839 0 50 HFAA CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 1139222 RAJZXPXBJHPDSV-UHFFFAOYSA-N 417.531 2.792 0 50 HFAA CCOc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 1314428 GLLPHZVEFKEQKD-KRWDZBQOSA-N 407.513 2.900 0 50 HFAA O=C(CSc1nnc(SCC(=O)N2CCCCC2)s1)N1CCCCC1 3090737 LNQPWBCHTVWVAV-UHFFFAOYSA-N 400.595 2.747 0 50 HFAA O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 4838598 HUZHMAUCVLUFKA-JSGCOSHPSA-N 421.346 2.689 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(O)cc1Br 5049771 SYGBWEFUNCKANV-ZDUSSCGKSA-N 401.282 2.519 0 50 HFAA COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)O)cc1 6624412 ITGGGKCDGOWUFJ-OAQYLSRUSA-N 414.458 2.844 0 50 HFAA biogenic CCCCn1c(CN2CCC[C@H](C(N)=O)C2)cnc1S(=O)(=O)CCCC(C)C 11820437 XNVRSSAWFFICMY-KRWDZBQOSA-N 412.600 2.590 0 50 HFAA COC(=O)c1cc(CNC(=O)c2ocnc2C)cc(NC(=O)c2ccccc2OC)c1 12158709 HHNVAMKIJGPPLG-UHFFFAOYSA-N 423.425 2.961 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2c(C)nn(CC)c2C)C[C@@H]1CCO 20453936 HIUJQSRPXCYGOB-NRFANRHFSA-N 400.567 2.987 0 50 HFAA COc1nc2c(cc1CNc1ncnc(C)c1C)C(=O)N(CCc1ccccn1)C2 71712294 HZRDRJQSFOPIID-UHFFFAOYSA-N 404.474 2.703 0 50 HFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 170593259 QYVZNUQEOWGAQH-SIKLNZKXSA-N 423.561 2.562 0 50 HFAA NC(=O)c1ccc(Oc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)cc1 729304936 CWKJIJXQAGMTRA-NRFANRHFSA-N 415.449 2.630 0 50 HFAA Cc1ccc(C2(O)CCN(S(=O)(=O)c3ccc(-c4onc(C)c4C)o3)CC2)nc1 1506407501 OXXWCBHRYILIMB-UHFFFAOYSA-N 417.487 2.927 0 50 HFAA COC[C@@H]1CCCN(S(=O)(=O)NCc2cnc(-c3ccccc3OC)s2)C1 1506409633 RSXPKSPPELIGCT-CQSZACIVSA-N 411.549 2.512 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCCCCN3C)CC1)OCC2 1704301377 WWHMPBYSZHZKHH-IBGZPJMESA-N 402.535 2.969 0 50 HFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(C(=O)NCc3cccnc3)cc2Cl)cn1 1875385291 QEYYXIDXDIPVHW-MYUZEXMDSA-N 411.893 2.662 0 50 HFAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(OC)c(OC)c1OC 815959 VMRQHNXGDHUFJT-UHFFFAOYSA-N 405.447 2.635 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(F)cc1 1187215 XWHYTRLZMSSISF-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)cc1 1270985 HGLKNFCYVJQGPL-UHFFFAOYSA-N 419.485 2.677 0 50 HFAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(Cn2cc(Cl)cn2)cc1 2791748 OUWKZHGOYFEEDI-UHFFFAOYSA-N 411.874 2.967 0 50 HFAA O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4801803 KIIISLWHJFIIOL-UHFFFAOYSA-N 400.287 2.535 0 50 HFAA Cc1ccc(NC(=O)N[C@@H]2[C@@H](NC(=O)Nc3ccc(C)cc3)N(C)C(=O)N2C)cc1 4992096 INZMCHDDKRYNMZ-ROUUACIJSA-N 410.478 2.896 0 50 HFAA COc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@H]3C(=O)N(C)Cc2nonc2C)cc1 12206058 KPNLCZDGDRYOBC-AIADIJKESA-N 424.501 2.687 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1CCc1ccccc1 12447222 MXLJXJGFIVRFOM-UHFFFAOYSA-N 405.564 2.919 0 50 HFAA Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 12653563 IUAWHBRJFSTJIF-HNNXBMFYSA-N 406.515 2.876 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1OC 13680918 WAJFJNQKMPCHKZ-UHFFFAOYSA-N 417.256 2.757 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2 14539393 KBROGRTWBGMZDP-UHFFFAOYSA-N 418.501 2.728 0 50 HFAA COc1ccc(F)c(C[C@@]2(CCC(=O)NCCc3cscn3)CCC(=O)N2)c1 14959547 YZBTXUSGNNBSSU-HXUWFJFHSA-N 405.495 2.621 0 50 HFAA CCN(CC)CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 19773204 JMSSRCMXYIQQRI-UHFFFAOYSA-N 423.469 2.985 0 50 HFAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 20599140 GBVNAJOUSNNIMU-OAHLLOKOSA-N 417.941 2.594 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(C)ccc3-n3cccn3)C2)CC1 20905961 IWECJVCUMHRYPR-OAQYLSRUSA-N 411.550 2.919 0 50 HFAA O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1 22620235 HIZNSMOAVQAJFL-UHFFFAOYSA-N 419.528 2.980 0 50 HFAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CNC(=O)NC(C)(C)C)(O4)[C@@H]3C2=O)cc1Cl 169677721 VAMPMQGOGIZPGR-JXSLOMFPSA-N 417.893 2.559 0 50 HFAA COc1ccc(N2C[C@H](C(=O)N3CCOC4(CCCCC4)C3)CC2=O)cc1OC 170641027 VKMKAAONDKFJIR-MRXNPFEDSA-N 402.491 2.618 0 50 HFAA CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 253430614 KGQRTNPGDULXFR-UHFFFAOYSA-N 414.325 2.782 0 50 HFAA CCOc1ccccc1CNC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 263615790 FFSNLNVWASSKLD-FQEVSTJZSA-N 408.458 2.887 0 50 HFAA O=C(c1cccc(-n2cnnc2)n1)N1CCCN(c2nc3ccccc3s2)CC1 1506414611 QYATZTZKRWXRRZ-UHFFFAOYSA-N 405.487 2.625 0 50 HFAA O=C(N[C@@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)CC[C@@H]1O)C1CCOCC1 1857698504 VGZLUCRVKVPQKN-RPWUZVMVSA-N 406.526 2.736 0 50 HFAA COC1(C(=O)N[C@H](C)c2ncsc2C)CCN(c2ncnc3[nH]ccc23)CC1 1857707515 BITLFYDWKKNVPC-GFCCVEGCSA-N 400.508 2.586 0 50 HFAA CCc1ccccc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccccn3)[C@H]3CC[C@]2(C1)O3 1857713340 VPISNMXZPUILFF-YWQGAKJTSA-N 405.498 2.694 0 50 HFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCc3ccccc3CC1)CO2 2100556750 GTAQSTDCXABYHB-HXUWFJFHSA-N 407.514 2.603 0 50 HFAA Cc1cc(C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)c2c(C)nn(C)c2n1 2356150269 ULYQPBXMTVQWPD-UHFFFAOYSA-N 401.474 2.542 0 50 HFAA NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 676796 SPLZNOYGHZCKMB-UHFFFAOYSA-N 419.684 2.767 0 50 HFAA O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCOCC1 862913 IXDKAUWCEOZLPM-UHFFFAOYSA-N 420.347 2.616 0 50 HFAA Cc1ccc(CN(C)Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)o1 12300579 VDISGIZEIBMJKM-UHFFFAOYSA-N 401.536 2.707 0 50 HFAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1csc(C)n1)CC2 14534104 VFGQETRSUQQZRE-UHFFFAOYSA-N 416.425 2.976 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 15064695 KSCOACXWJOOFLV-LJQANCHMSA-N 407.942 2.796 0 50 HFAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1 20785155 DFSLNOJSSUOOQQ-GOSISDBHSA-N 404.518 2.839 0 50 HFAA CSCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91860857 QMUSEELXVODKPI-LJQANCHMSA-N 404.576 2.574 0 50 HFAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 104340806 KGBKEFYMBUMWCI-JOCHJYFZSA-N 412.530 2.859 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 170623108 HETBIKMHZZTEOH-RYUDHWBXSA-N 412.439 2.620 0 50 HFAA CC(C)c1n[nH]c(-c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 253407254 JRMVNAUBIRBDNO-KRWDZBQOSA-N 418.457 2.674 0 50 HFAA biogenic CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1)CCO2 299771999 ZHHVTLRBTAFDBY-QFIPXVFZSA-N 409.530 2.800 0 50 HFAA O=C(O)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408513213 DYUJDDHYMHERJC-UHFFFAOYSA-N 416.377 2.711 0 50 HFAA Cc1ccn(CC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c(=O)c1 469771660 DGIGSVGCWANNTE-OAQYLSRUSA-N 420.513 2.618 0 50 HFAA Cc1nc([C@H](C)N(C)C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)s1 1506419544 SAWBTCXGQQKOQD-NSHDSACASA-N 407.517 2.514 0 50 HFAA CC(C)N[C@@H]1CN2CCCC[C@@]2(C(=O)N2CCC(Cc3ccc(O)nc3)CC2)C1 1857683041 QLVVHKOUNGFVHL-REWPJTCUSA-N 400.567 2.563 0 50 HFAA CCC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCC2(C)COC2)C1 1875243228 XJSSPEWMUGSHBJ-QHCPKHFHSA-N 400.567 2.861 0 50 HFAA C[C@]1(c2cccc(NC(=O)/C=C/c3ccc(-n4ccnc4)cc3)c2)NC(=O)NC1=O 1875255562 ZKKSPVNJXZIMJO-HWWNHIDJSA-N 401.426 2.579 0 50 HFAA CC[C@H](c1ccc(F)cc1F)N1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)O)CC1 1875258521 UASVYGSSXOCBOP-RBUKOAKNSA-N 411.493 2.649 0 50 HFAA Brc1cccc(-n2nc(-c3nc[nH]n3)nc2[C@H]2CCn3ccnc3C2)c1 1875348775 CGAGDQYXUTYOIW-NSHDSACASA-N 411.267 2.741 0 50 HFAA Cc1nc(-c2cn([C@@H](C)CNC(=O)[C@@]3(C)CC(c4ccccc4)=NO3)nn2)cs1 1875355068 YXFHTFNIVKMZCU-RNODOKPDSA-N 410.503 2.971 0 50 HFAA Cn1ccnc1-c1ccc(N2CC[C@@]3(C2)C(=O)N(CC2CC2)c2ccccc23)nn1 2100484013 ZBIUTQOCMWTTJN-QHCPKHFHSA-N 400.486 2.782 0 50 HFAA COc1ccc(CN2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)cc1Cn1cccn1 2356169229 NMCUXBCDLWYKOP-RPBOFIJWSA-N 421.541 2.728 0 50 HFAA COC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)C(F)(F)F 2869013 WXEHSRBDWDFISD-QGZVFWFLSA-N 412.389 2.736 0 50 HFAA O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCN(c2cnccn2)CC1 11839405 KUQZFRWOLWTNRV-UHFFFAOYSA-N 417.828 2.799 0 50 HFAA CCOC(=O)N1CCC(NC(=O)CN2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1 12160855 HQUQABAIUFHBBW-AWEZNQCLSA-N 409.914 2.660 0 50 HFAA CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C=C/c1ccco1)CC2 15000403 PJDJCZSEFNJXMG-GZNAHNRGSA-N 420.517 2.965 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cnccn3)cc2)n1 15067461 IZHGKWWYZXVLCV-FQEVSTJZSA-N 404.474 2.913 0 50 HFAA O=C(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCCCC1 18271458 UVPLPHGTFUZTKW-IBGZPJMESA-N 401.482 2.572 0 50 HFAA CCc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1 64800233 ZWQYGUAGYLRDAF-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCC[C@@H](C)N2CCCC2)CC1 72442091 FISRSWIHUQJLDU-LJQANCHMSA-N 421.607 2.527 0 50 HFAA O=C(COCc1ccccc1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91663220 AKCICGPTTVBFQI-FQEVSTJZSA-N 400.519 2.613 0 50 HFAA COc1cc2nc(C)c(NC[C@@H](O)CN3CCc4ccccc4C3)nc2cc1OC 170601986 PYJADNQYVNGFSC-GOSISDBHSA-N 408.502 2.787 0 50 HFAA COc1ccc(CNCC[C@H]2CCC(=O)N2C[C@@H]2CCCN(c3ncccn3)C2)cc1 299782668 GFZCWQIAIIVGIU-NHCUHLMSSA-N 423.561 2.873 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCCN(c2cccc(F)c2)C1 495206744 ZXASFWIRWPRPHG-DAEUYUHPSA-N 411.521 2.603 0 50 HFAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCNC(=O)[C@H]1CCO 828743345 RGTGWGZCJFRGLZ-LJQANCHMSA-N 408.454 2.643 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)[nH]1 1704311655 OOYCSWSFMJDTOM-OAQYLSRUSA-N 401.530 2.975 0 50 HFAA C[C@]1(NC(=O)C2CCCC2)CC2(CCN(C(=O)c3ccc(F)cc3)CC2)OC[C@@H]1O 1704324956 FUQXWZSCBNZYPF-UGKGYDQZSA-N 418.509 2.647 0 50 HFAA Cc1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857678995 PLFIUSIPGLTOAZ-JOCHJYFZSA-N 413.493 2.800 0 50 HFAA COC(=O)c1nc(N2CCN(c3nsc(C4CC4)n3)CC2)c2sccc2n1 2325863746 VMMUEOTWSYHXQX-UHFFFAOYSA-N 402.505 2.533 0 50 HFAA C[C@](O)([C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O)C(F)(F)F 2325877451 RKLSTVUTXOWUQG-DOMZBBRYSA-N 422.812 2.889 0 50 HFAA CCNC(=O)C[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 1127929 XUSGHKBULPVROE-QGZVFWFLSA-N 409.442 2.587 0 50 HFAA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2ccccn2)CC1 12390330 CVJFNDBPEJNQER-UHFFFAOYSA-N 407.470 2.786 0 50 HFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccccc1-c1ncc[nH]1)CC2 14537150 AOJZLGSHWRAHPQ-UHFFFAOYSA-N 418.501 2.631 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 23368036 WAYITNZSRXLGMH-OAQYLSRUSA-N 400.567 2.593 0 50 HFAA O=C([C@H]1COCCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67727384 SLDXPPUDBBKHLC-QGZVFWFLSA-N 412.467 2.805 0 50 HFAA CN1CCN(C[C@H](O)COc2ccc(CN3CCC(C(C)(C)C)CC3)cc2)CC1 95531750 DWFJADBHJBRDTB-QFIPXVFZSA-N 403.611 2.932 0 50 HFAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 101708484 JAXJQHHPYDCQQL-QZTJIDSGSA-N 422.572 2.776 0 50 HFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cccc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 247750621 SBNXKMSVNGEWNJ-UAFMIMERSA-N 404.466 2.589 0 50 HFAA COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(OC)c(OC)c4)ccn3n2)cc1 263618928 WERZKJBKFDNYCS-HXUWFJFHSA-N 421.453 2.922 0 50 HFAA Cc1cccc(NC2CCN(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)CC2)c1 482579781 AMZCMQJARINICQ-SFHVURJKSA-N 417.535 2.660 0 50 HFAA COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 824396853 DOKLWHGRJROQDM-SFHVURJKSA-N 401.894 2.759 0 50 HFAA COc1cc(Cl)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 824557978 NXJLUGHYMFBFFB-UHFFFAOYSA-N 404.850 2.839 0 50 HFAA COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)[nH]1 952887999 JBSCSGXWIZKRRA-LJQANCHMSA-N 408.458 2.818 0 50 HFAA O=S(=O)(Cc1ccccc1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21)c1ccccc1 1237231753 KCTUIPJIKXQRRC-VOQZNFBZSA-N 401.528 2.632 0 50 HFAA NS(=O)(=O)c1ccc2nc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)[nH]c2c1 1857530822 FOHIMJKXGZQTEQ-INIZCTEOSA-N 410.858 2.581 0 50 HFAA C[S@@](=O)(CC1CN(C(=O)c2ccc(F)cc2)C1)=NC(=O)COc1ccccc1 1875302413 PGLMUUFXRVMGCZ-MUUNZHRXSA-N 404.463 2.601 0 50 HFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(C(=O)NCc3cccnc3)cc2Cl)cn1 1875385290 QEYYXIDXDIPVHW-DNOBIOAJSA-N 411.893 2.662 0 50 HFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cnc(Nc3ccccc3)nc2)CC[C@H]1O 2100480850 RQZLFGYUYFQQMV-XMSQKQJNSA-N 412.490 2.934 0 50 HFAA C[C@@H]1CCC[C@H]1C(=O)NCc1ccc2c(c1)CN(C(=O)C1=CS(=O)(=O)CCC1)C2 2325872697 JVXZRSSLGKAUAA-FOIQADDNSA-N 416.543 2.674 0 50 HFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cn12 2356151665 SSAICFKFHDTIFG-HXUWFJFHSA-N 421.501 2.585 0 50 HFAA CCOc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1C)S(C)(=O)=O 1140503 MPTYOBNKHLBDSR-UHFFFAOYSA-N 420.487 2.585 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC 4763877 LTJQSTNUVQFFAX-OIISXLGYSA-N 410.536 2.738 0 50 HFAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1)[C@H]1COc2ccccc2O1 12132503 OURPCUKCIMBORV-MGPUTAFESA-N 407.401 2.542 0 50 HFAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cn4cnnn4)C3)c2)c1 12572363 NICCRVFYIKCFSW-LJQANCHMSA-N 404.474 2.526 0 50 HFAA CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12715022 TVECPDQGXSAKHL-LJQANCHMSA-N 401.526 2.897 0 50 HFAA Cc1cccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)n1 14983475 MJBANHCIRNSZTE-UHFFFAOYSA-N 418.497 2.993 0 50 HFAA O=C(CCOc1ccccc1)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 15000631 FNFYBVPCSRKNRC-OAQYLSRUSA-N 423.513 2.821 0 50 HFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2 15072533 GPDCFPCDFJLQGU-IBGZPJMESA-N 411.525 2.533 0 50 HFAA CCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)c(C)n1 20615197 JXJRISYTEDEGGU-UHFFFAOYSA-N 401.536 2.861 0 50 HFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CC(=O)N(c2ccccc2C)[C@H](C)C1 101907611 SZFAIVXBJFWPFM-QAPCUYQASA-N 407.470 2.693 0 50 HFAA COc1cccc2c1N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC[C@H]2C 170597048 RCTKQZANLFFIKB-SJLPKXTDSA-N 420.575 2.967 0 50 HFAA Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12 222550980 APGNVOSIXZYEPK-UHFFFAOYSA-N 403.298 2.899 0 50 HFAA CSCC[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 223229386 KNLDJIPSNLQCFP-MRXNPFEDSA-N 411.466 2.902 0 50 HFAA Nc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3F)C2)n1 225829805 ZYLYKZKJVQMFSB-SNVBAGLBSA-N 415.288 2.529 0 50 HFAA CCc1ccc(N2C[C@H](C(=O)OCCCN3CCN(C(C)C)CC3)CC2=O)cc1 225842748 AAXMNGQHLMQMSM-HXUWFJFHSA-N 401.551 2.561 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 263619434 YQBWLWUOUHZJQL-UHFFFAOYSA-N 405.458 2.594 0 50 HFAA Cc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1 299765767 CSXOHRXIHVUFDQ-UHFFFAOYSA-N 406.490 2.931 0 50 HFAA Cc1cc2c(N3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ncnc2s1 328605467 NVXVCRVWQDMLBO-CQSZACIVSA-N 412.519 2.579 0 50 HFAA CC(=O)N[C@@H](CC(=O)NCC1(CN2CCOCC2)CCCCC1)c1ccc(C)cc1 434148667 SKUNWJOVQBIOAE-QFIPXVFZSA-N 415.578 2.961 0 50 HFAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@H]([C@H](O)C(F)(F)F)C3)cs2)c1C 444735398 ZTUMBSHHGTZAMX-WFASDCNBSA-N 416.469 2.656 0 50 HFAA O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cn(Cc2cccc(F)c2)nn1 469299605 BDIMCWGWQSRESM-UHFFFAOYSA-N 404.409 2.706 0 50 HFAA COc1ccccc1[C@@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1nccn1C 743184809 GFPCHDLPQHVWBV-LJQANCHMSA-N 403.446 2.921 0 50 HFAA O=C(CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1)Nc1nncs1 952980030 VOXRSUFDPTUIJI-CQSZACIVSA-N 412.475 2.713 0 50 HFAA CC(C)Cc1cc(CNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)on1 1772819212 QLQNPTQMHOPCTK-AWEZNQCLSA-N 404.536 2.588 0 50 HFAA CN1CC[C@]2(C(=O)N3CCCC3)CCCN(C(=O)c3cnc4ccccc4c3)[C@H]2C1 1775978611 ARXIQITWKIZPAB-XUZZJYLKSA-N 406.530 2.784 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCc2cc[nH]n2)CC1 1857686199 LPUZWQHRUCIZBM-UHFFFAOYSA-N 416.529 2.770 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)Cc3cc(F)cc(F)c3)C1)CC2 1857696293 VCXJXULOZOAXPW-OAQYLSRUSA-N 402.445 2.576 0 50 HFAA O=C(CCNC(=O)OCc1ccccc1)Nc1ncc(C(=O)[C@@H]2CCOC2)s1 1875320089 GECARJOHIJUYDE-CQSZACIVSA-N 403.460 2.617 0 50 HFAA O=C1C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1cccc(Cl)c1 2082927026 WKRKPVSFCZKEGQ-CQSZACIVSA-N 416.886 2.645 0 50 HFAA CN1CCN(Cc2ccccc2CNC(=O)N2CCc3ccc(F)c(F)c3C2)CC1 2325744004 HYRCTQIKEXSWSZ-UHFFFAOYSA-N 414.500 2.980 0 50 HFAA Cc1cc(CNC(=O)c2ccc(Br)cc2-n2cncn2)oc1C(=O)O 2325869439 NTNIRISLPILYPD-UHFFFAOYSA-N 405.208 2.559 0 50 HFAA FC(F)(F)C(Oc1nc(N2CCCCC2)nc(N2CCOCC2)n1)C(F)(F)F 754079 ZFDDLKLYIHKQBJ-UHFFFAOYSA-N 415.338 2.571 0 50 HFAA biogenic CCOc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 898799 ILMNYYUTPUOERC-QZTJIDSGSA-N 415.449 2.562 0 50 HFAA C[C@H]1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 944946 PCMCSAAKCUQBFA-QWRGUYRKSA-N 411.483 2.595 0 50 HFAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)Nc2ccc(Cl)cc2)C1=O 2787589 UOZWAWODDXTRNP-AEFFLSMTSA-N 411.849 2.889 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)CC2=O)cc1 7452049 CGJBTMTVSLVOGA-LJQANCHMSA-N 420.513 2.929 0 50 HFAA CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCCCC1 11413604 ZBAGBYLVPRGENI-UHFFFAOYSA-N 405.499 2.723 0 50 HFAA CC(C)CC[C@]1(C2CCN(C(=O)C3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 14883288 RKHSRTTYQTXXEO-HSZRJFAPSA-N 412.534 2.957 0 50 HFAA NC(=O)[C@H]1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 14980685 ZWFALFFUFNHZJE-AWEZNQCLSA-N 416.909 2.850 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17093215 LXLXHBIYWITRBZ-RBUKOAKNSA-N 422.547 2.534 0 50 HFAA O=C(O)CCC(=O)Nc1cccc(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)c1 20438130 RJWQANATIPEJFI-UHFFFAOYSA-N 412.398 2.524 0 50 HFAA COc1ccc(CCN(C)[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)cc1OC 23361111 VPBPJVQJUTXPIB-OAQYLSRUSA-N 403.567 2.653 0 50 HFAA Cc1ccc(CN(c2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 67604633 MARYHVGBPGGLAF-UHFFFAOYSA-N 415.559 2.785 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239203315 SCZZHUCHTIMFSN-QMQSLIEESA-N 400.862 2.729 0 50 HFAA COc1cccc2cc(-c3ccc(OCC(=O)N[C@H](CO)C(C)C)cc3)c(=O)oc12 253402176 GCVUESVEMQCKIF-LJQANCHMSA-N 411.454 2.981 0 50 HFAA biogenic Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](CO)C(C)C)c12)OC(C)(C)CC3 253407670 KAQARRIQMORABJ-OAHLLOKOSA-N 403.475 2.717 0 50 HFAA biogenic CC[C@H](CNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccccc1 476084318 NWVKSZBRMZJNEB-FGTMMUONSA-N 413.522 2.834 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NC[C@H]3CCCN(c4ncccn4)C3)o2)c1C 1506431577 PPYWZCHVGPSLOV-OAHLLOKOSA-N 417.491 2.536 0 50 HFAA CCc1nc(C)c(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)s1 1529110402 NHEOZASMHYAIFR-SJLPKXTDSA-N 406.504 2.606 0 50 HFAA CC(C)Cc1c[nH]c(C(=O)N2CC(O)([C@H](C)NC(=O)c3cc4ccccc4[nH]3)C2)c1 1875360602 JJGRQCSZURZNCT-HNNXBMFYSA-N 408.502 2.700 0 50 HFAA CC(C)c1cc(Br)ccc1S(=O)(=O)N1CCc2c(O)ncnc2C1 2325824234 VMNSSGMWMDFUOA-UHFFFAOYSA-N 412.309 2.815 0 50 HFAA CCOc1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1 2356165641 MFOBQLFCCAGLGY-YDHSSHFGSA-N 400.519 2.986 0 50 HFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1 643464 PWJFKGOLGLUPKH-UHFFFAOYSA-N 424.482 2.837 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc(Cl)c2)cc1 835654 DHWGDGQLBHXCRZ-UHFFFAOYSA-N 408.907 2.703 0 50 HFAA O=C1C[C@@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OC(F)F)cc1 935484 XUSGMFOENRTCME-GOSISDBHSA-N 417.412 2.869 0 50 HFAA O=C(Nc1ncccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 2874717 TXIQROQPCRSZPZ-ZDUSSCGKSA-N 401.275 2.575 0 50 HFAA O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3556239 MKMXPWHYPJADGK-UHFFFAOYSA-N 404.463 2.588 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 4832771 NJNHNSPRSPDBNY-BMQCOBNYSA-N 402.522 2.531 0 50 HFAA Cc1cccc(C)c1O[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 8163380 YJBXSHSKNATVHS-PKOBYXMFSA-N 416.518 2.664 0 50 HFAA COc1ccc(CC2=NO[C@@H](C(=O)N3CCC([C@@H](O)c4ccccn4)CC3)C2)cc1 11911476 KETIVIQHSBBSOO-FGZHOGPDSA-N 409.486 2.750 0 50 HFAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1 12594452 IUFMCERGRRFTPV-HSZRJFAPSA-N 417.509 2.855 0 50 HFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC 19851949 CNHKNXPHXSBLKV-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 170638225 OBXCJLKRCAJXJI-KSZLIROESA-N 407.536 2.796 0 50 HFAA CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 215067232 CSACFPOLNSUVNQ-HSZRJFAPSA-N 424.545 2.597 0 50 HFAA CCON1C(=O)[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@@]3(Cl)C[C@@]4(Cl)C(Cl)=C3Cl)[C@@H]2C1=O 216191018 BMCSJWJPXZFKRA-WWCIJWRGSA-N 413.084 2.614 0 50 HFAA O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CCC1 263616386 IKEAGRTZTUBAHE-NRFANRHFSA-N 413.497 2.569 0 50 HFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccccc1OCCCN1CCCCC1)C2 1857669385 HDMDVIZBRZSNRZ-NZQKXSOJSA-N 402.535 2.865 0 50 HFAA Cn1cnnc1CN1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705081 RNWBGPQPJCDEFK-HXUWFJFHSA-N 411.550 2.804 0 50 HFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857719712 SAPBPYQILPJDGW-FGZHOGPDSA-N 405.498 2.711 0 50 HFAA CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N(C)C 1875255061 XGKFZQMEXMDXHF-MOPGFXCFSA-N 405.539 2.947 0 50 HFAA CCCCc1nc(-c2cc(C)c3c(O)nc(O)nc3n2)n(CCN2CCCCC2)n1 1875348299 MOBWZIVIUSKMSG-UHFFFAOYSA-N 411.510 2.831 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1I 1217517 JFZQLPUBZHWYFR-UHFFFAOYSA-N 406.179 2.526 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3)C2=O)cc1 2318951 AUNMDPWWHUFEKV-SFHVURJKSA-N 400.862 2.981 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1 3332777 BKMDXBDBHKZTCL-UHFFFAOYSA-N 403.529 2.695 0 50 HFAA CCOC[C@@H](O)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12315508 GOSVSSAQCNBPKM-SFHVURJKSA-N 420.550 2.608 0 50 HFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2CCOC2=O)C1 15064981 FEYRXMFLFCRZBZ-HXUWFJFHSA-N 408.882 2.507 0 50 HFAA Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3CCCc3ccccc3)ccc2[nH]1 15077400 LHQCNAOKSWXDIH-HSZRJFAPSA-N 418.541 2.916 0 50 HFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Br)o2)c1 15913905 DLUOBWDYBCZQNX-UHFFFAOYSA-N 422.279 2.833 0 50 HFAA Cc1ccc(OCCCCNCCN2CCOCC2)c(I)c1 20500023 FMLIPMDLOJDCDQ-UHFFFAOYSA-N 418.319 2.680 0 50 HFAA CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3Cl)[C@@H]2C1=O 43191195 MWJBSBULFXAXKK-MANSERQUSA-N 407.857 2.917 0 50 HFAA CCc1nc2ncc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)n2n1 54202038 VLPORKDZGPBVOJ-UHFFFAOYSA-N 414.517 2.774 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 100328054 SKRMGAKPBZQYJE-PABBZOGXSA-N 405.498 2.658 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 169772688 DQWYZDCIPKVWJH-HXUWFJFHSA-N 417.469 2.959 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)cc4)ccn3n2)cc1 169775867 BTNVDQCUZZHDCY-UHFFFAOYSA-N 402.454 2.910 0 50 HFAA O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@H]1[C@@H]4C(=O)O)[C@H]23 239358368 NDQHCUSCDKVEEN-VABQOHJCSA-N 401.465 2.545 0 50 HFAA COc1ccc2nc(O)c([C@H](CC(N)=O)c3c(O)n[nH]c3Cc3ccccc3)cc2c1 252499659 SDRVAFBEDPZQDV-INIZCTEOSA-N 418.453 2.976 0 50 HFAA C[C@@H]1C[C@@H](OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)C(=O)O1 253388688 DMBHWOIPOXYDKQ-PJIJBLCYSA-N 415.467 2.687 0 50 HFAA Cc1cn2nc(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)cc2c(O)n1 263617731 PJILHPYNYZSTGU-UHFFFAOYSA-N 415.453 2.968 0 50 HFAA O=C(NCc1ccccc1Cn1cccn1)[C@@H](c1ccccc1F)N1CCOCC1 462027408 MPRVBQPERXYUNA-JOCHJYFZSA-N 408.477 2.760 0 50 HFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 742901566 ANHUAJKCDQBXGL-OAHLLOKOSA-N 415.987 2.927 0 50 HFAA O=C(O)C1CCN(C2CCN(Cc3cnc(NCc4ccccc4)nc3)CC2)CC1 828481742 ZQAYCTMVUMAGKN-UHFFFAOYSA-N 409.534 2.850 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)(c2ccccc2)CC1 1300124796 OZHNOUORGDOIHR-IBGZPJMESA-N 420.509 2.981 0 50 HFAA CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c(C(F)(F)F)c3)CC2)cc1 1323854649 MILJRDORJISFGE-UHFFFAOYSA-N 415.437 2.743 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCCN3CCCC3)CC1)OCC2 1704330032 UJPWQCNKISPVTA-UHFFFAOYSA-N 402.535 2.970 0 50 HFAA O=C(Cn1cccn1)NC[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 1857686892 GUYYCNSDVRWTDO-AEFFLSMTSA-N 407.474 2.643 0 50 HFAA Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@H]1Cc1cccc(F)c1 2325749151 ONUNNIJHBATNQL-ZDUSSCGKSA-N 402.289 2.718 0 50 HFAA Cn1c(-c2ccc(C(N)=O)cc2Cl)nnc1N1CC2(CCC2)OC2(CCC2)C1 2325839802 FTIGPPJFEOXGJF-UHFFFAOYSA-N 401.898 2.916 0 50 HFAA O=C(C[C@@H]1Cc2ccc(Br)cc2C1)N[C@@H](Cc1ccncc1)C(=O)O 2325877251 NDYHWOVKVLXBJU-DYVFJYSZSA-N 403.276 2.761 0 50 HFAA O=C(Cn1ncc2ccccc21)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356151532 MNOFYPDPGXQFNW-HSZRJFAPSA-N 403.486 2.615 0 50 HFAA CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 2812936 PLKFNQGVADCLDN-UHFFFAOYSA-N 423.922 2.883 0 50 HFAA O=C(CNC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccc(N2CCCCC2)cc1 6701884 FRPNJZXCUACCAO-UHFFFAOYSA-N 404.474 2.626 0 50 HFAA Cc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C 6930657 JWQWFNVCLAYQHQ-ZDUSSCGKSA-N 402.472 2.825 0 50 HFAA O=C1CC[C@H](C(=O)NC[C@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)N1 11786998 MCHYGMWZONEDFR-IAGOWNOFSA-N 420.387 2.951 0 50 HFAA COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(CC=C(C)C)CC2 11973528 DOJFPLFRFCJYKQ-UHFFFAOYSA-N 401.532 2.673 0 50 HFAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCCc1cccnc1 12053789 MQLMDBHTHZPKSE-QHCPKHFHSA-N 409.486 2.531 0 50 HFAA COC(=O)[C@@H]1CCCCN1C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12057506 VYASSZHMNFPYLM-SFHVURJKSA-N 410.474 2.823 0 50 HFAA CCn1cc(CNCc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 12303641 OIZXIMDHAYLGQN-DEOSSOPVSA-N 420.557 2.991 0 50 HFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12320373 PMYVICPMRXERFZ-MRXNPFEDSA-N 412.559 2.857 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 12431439 DRQOPDXOTFTBLV-NRFANRHFSA-N 420.561 2.887 0 50 HFAA COc1ccc(CNCC(C)(C)CO)c(OC[C@@H](O)CN2CCCCCCC2)c1 12718631 HDQRIHPCIFNPBY-FQEVSTJZSA-N 408.583 2.809 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)CN2C1=O 14542680 ZZOQHJSRRCEWCZ-ACRUOGEOSA-N 405.498 2.597 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC 14959871 QFUPBUDVEXEQNM-HSZRJFAPSA-N 412.486 2.994 0 50 HFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 15390526 RCYAAFSDRBIZBJ-MRXNPFEDSA-N 422.934 2.949 0 50 HFAA Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1 20117771 FVZUNFUJJRDKNF-JOCHJYFZSA-N 409.511 2.564 0 50 HFAA CN1CCN(CCC(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 20201705 QJJIOAMLTLQHFU-DEOSSOPVSA-N 404.643 2.909 0 50 HFAA CCN1CCN(CC(=O)N[C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)CC1 39421036 QCZIJXAQAUVFCU-HSZRJFAPSA-N 400.611 2.603 0 50 HFAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1 221679112 LWLUWIFGSNECBT-LEWJYISDSA-N 409.596 2.653 0 50 HFAA CCC(CC)(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)OC 253392418 CNGQOPGYKBAJRK-UHFFFAOYSA-N 404.488 2.949 0 50 HFAA O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1 328598911 OYLNILBERYFHTI-UHFFFAOYSA-N 411.487 2.625 0 50 HFAA CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[C@@H](O)c1ccccc1 749711123 MMGPMAXLYLNNGH-WBVHZDCISA-N 403.410 2.571 0 50 HFAA C[C@@]1(c2cccc(-c3noc([C@H]4CC(c5cccc(F)c5)=NO4)n3)c2)NC(=O)NC1=O 761926159 BMQMFUZSAAKHEK-IERDGZPVSA-N 421.388 2.796 0 50 HFAA CCC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C)c2)c(C)c1 952976788 IBYXUKFVSVXINW-NRFANRHFSA-N 422.529 2.981 0 50 HFAA CCc1nnc(N2C[C@H](C(=O)N(C)CCOc3ccccc3CC)CC2=O)s1 1857731244 DMEIOPUATDISLN-OAHLLOKOSA-N 402.520 2.553 0 50 HFAA CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)[C@@H](OC)C1 1875247929 VIIRWBHPOLLYLV-GKCIPKSASA-N 403.498 2.936 0 50 HFAA CCO/C=C/[C@@](O)(CNC(=O)c1nc(Br)n2ccccc12)C(F)(F)F 1875334853 IBTNPFIAYPZDAM-IZPAUZPXSA-N 422.201 2.670 0 50 HFAA C[C@@H](OC(=O)c1cc2c(s1)CCCNC2=O)C(=O)c1ccc2c(c1)CCC(=O)N2 2325823680 AJXZHZJHQUMTMW-LLVKDONJSA-N 412.467 2.737 0 50 HFAA Cc1cnn(C[C@H](NCc2c[nH]nc2-c2ccc(Br)s2)C(=O)O)c1 2325851060 OEFUAPZJVNGCID-NSHDSACASA-N 410.297 2.649 0 50 HFAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c(C)cccc3F)C2)CCC1=O 2325864189 IMKRUWGEBWWHNH-IRXDYDNUSA-N 403.498 2.504 0 50 HFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)n1 2356146557 LDHVJQCLCVHCEI-CYBMUJFWSA-N 404.536 2.972 0 50 HFAA C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 1065521 AKAWSDYXINMMKY-JTQLQIEISA-N 401.257 2.894 0 50 HFAA COc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1 1121658 AAMWVURKZMHDHP-SFHVURJKSA-N 412.515 2.530 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccccc1 2864337 XPTPPPDISYKYNA-UHFFFAOYSA-N 412.309 2.701 0 50 HFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccncc2)c1=O 11784143 XPRUTXPKMXJLJO-UHFFFAOYSA-N 410.518 2.892 0 50 HFAA CO[C@H](C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1)c1ccccc1 12244312 ZVQTXSJDAWOVIP-FQEVSTJZSA-N 411.506 2.502 0 50 HFAA COc1ccc(OC)c(Cc2nnc(CCC(=O)N[C@H](C)c3nccs3)o2)c1 12586169 DSGIOBOWAYUOIY-GFCCVEGCSA-N 402.476 2.944 0 50 HFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O 14542534 ZLILTABDRRHUEJ-UHFFFAOYSA-N 408.502 2.527 0 50 HFAA Cc1nc(CNCc2ccc(-c3ccn(Cc4cn5cccc(C)c5n4)n3)o2)n[nH]1 20515831 WQCQSWZPXNUXFN-UHFFFAOYSA-N 402.462 2.864 0 50 HFAA CC(C)Cn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)Cc1ccccc1 55569036 LNDVRRZKRBKMKJ-UHFFFAOYSA-N 413.547 2.935 0 50 HFAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4cccc(N(C)C)c4)nnc23)n1 169776100 QYYXMSRQIBTEKJ-UHFFFAOYSA-N 405.462 2.899 0 50 HFAA Nc1nccc([C@H]2CCCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C2)n1 170616220 KNFXOZBDXGLDKT-JTQLQIEISA-N 404.389 2.875 0 50 HFAA O=C(CN1CCCN(Cc2ccccc2)c2ccccc21)N[C@H]1CCCCNC1=O 252677695 ZOMKNZPFPSIASO-FQEVSTJZSA-N 406.530 2.688 0 50 HFAA COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(N)cnc2n1CCc1ccccc1 299802085 XEISWYCLSDDASE-OAHLLOKOSA-N 408.458 2.623 0 50 HFAA CCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c1 1318389563 UZPGNMGTSNXRDW-UHFFFAOYSA-N 405.524 2.640 0 50 HFAA CS(=O)(=O)c1cc(CNC(=O)c2ncoc2[C@@H]2CCCO2)cc(C(F)(F)F)c1 1346629244 BIVIHLDFGCWWMR-ZDUSSCGKSA-N 418.393 2.878 0 50 HFAA CCC[C@]1(C(=O)O)CN(c2nc(-c3ccc(OC)cc3)ccc2C(=O)O)CC[C@H]1O 1704326035 UDZBVEHUBYILHE-GCJKJVERSA-N 414.458 2.898 0 50 HFAA CC(C)CN1CCN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)C[C@H]1CCO 1704335274 MHXQQJVXYRLKOH-HXUWFJFHSA-N 422.533 2.984 0 50 HFAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 1772501703 ZTQPCDAGNHDGLP-CYFREDJKSA-N 412.530 2.735 0 50 HFAA COc1ccnc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1 1857711418 YROPAEQGIOBLMO-HSZRJFAPSA-N 417.469 2.768 0 50 HFAA O=C(NCCC(=O)N1CCCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857711667 BWCFSFXPCZWPFE-AWEZNQCLSA-N 404.898 2.826 0 50 HFAA O=C(Cn1ccc2ccccc21)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857739836 UYRCYAGQKHUSDZ-LGVFNWMJSA-N 401.466 2.942 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 893192 UJPCTDOJEJPQQE-UHFFFAOYSA-N 408.907 2.560 0 50 HFAA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 1062066 VSSHEOTTWOTMEI-UHFFFAOYSA-N 413.835 2.723 0 50 HFAA COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCO)c3cccs3)n2)cc1 6090686 FTYJATVCDCFAGM-OAHLLOKOSA-N 404.517 2.874 0 50 HFAA Cc1cc(CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)n[nH]1 11664135 DYXRZSJBQKDHFN-UHFFFAOYSA-N 415.563 2.971 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 11785690 IROFMTIUASKAKV-GOSISDBHSA-N 420.513 2.963 0 50 HFAA Cc1ccc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cc1F 11872921 ZACOAIAFBLVTGF-LJQANCHMSA-N 401.526 2.863 0 50 HFAA O=c1c(CNCc2cccnc2)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 12149108 MISKXWNSPOMFBB-UHFFFAOYSA-N 420.513 2.901 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2ccccc2)cc1 12385961 UGXLCMMEZIXWDF-SFHVURJKSA-N 403.486 2.614 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12585875 VZMZTOILUVFDNQ-KRWDZBQOSA-N 420.556 2.923 0 50 HFAA C[C@@H](CCn1cccn1)N1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C 14749503 DQEXPQVNBXGUSH-IBGZPJMESA-N 409.534 2.633 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1cccn1-c1ccccn1)C2 19112711 PRAWBGKSBCGBHH-UHFFFAOYSA-N 404.518 2.883 0 50 HFAA CN1CCC(N2C[C@@H]3C[C@@H](c4cn(C)nc4-c4ccccc4)N4CCC[C@@]34C2=O)CC1 19794389 ZBHADFYIAYUPSV-JTJYXVOQSA-N 419.573 2.919 0 50 HFAA O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(OC(F)(F)F)cc1 20057676 JDQMTYZDNBPEHO-AWEZNQCLSA-N 408.332 2.736 0 50 HFAA CCCn1ncc(CN2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C 20535332 PFTODCNJCCNFBT-FQEVSTJZSA-N 404.530 2.818 0 50 HFAA NC(N)=NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 59862564 CVWZIGOXWLVKHP-FQEVSTJZSA-N 403.486 2.631 0 50 HFAA CC[C@]1(c2ccc(NC(=O)Cc3ccccc3[S@](C)=O)cc2)CCC(=O)NC1=O 170610259 FCWYEJIEZZTBTH-MNNSJKJDSA-N 412.511 2.690 0 50 HFAA CC(C)[C@@]1(C)CC(=O)N(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 239760912 CIINENDZTAGVLS-XCGNWRKASA-N 401.507 2.660 0 50 HFAA CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Br)ccn1)C2=O 253427621 AEGBEUOJXNIFQZ-UHFFFAOYSA-N 409.284 2.673 0 50 HFAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3noc(C4CC4)n3)CCCCC2)cc1 670468955 GZRYANYOWHEKEI-UHFFFAOYSA-N 403.504 2.869 0 50 HFAA COc1ccc(C2(C(=O)N[C@@H]3CCN(c4ccc(C)cc4)C3=O)CCOCC2)cc1 741621157 IQLIERSIAWIKQJ-OAQYLSRUSA-N 408.498 2.974 0 50 HFAA O=C(CCOCC1CC1)N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952894585 RZGZAFMLTZIVCP-GOSISDBHSA-N 410.396 2.981 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)COc2cccc(Cl)c2)cc1OC 1529100154 ODNWDTJQXBEFJT-TZIWHRDSSA-N 421.877 2.697 0 50 HFAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1529155621 WPYFPJMFBOYFIL-INIZCTEOSA-N 423.535 2.787 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)Cc4ccsc4)C[C@]3(CN(C)C)C2)c(C)o1 1772707924 YHLAPBNDZPLAPG-PGRDOPGGSA-N 415.559 2.663 0 50 HFAA CCCOc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(c2nnc(CC)s2)C1 1857723254 ZPIYMUHDMWNSQS-OAHLLOKOSA-N 402.520 2.601 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3c(cccc3C(F)(F)F)[C@H](C(=O)OC)C2)C1 1875371817 MQXZEZKGHFFMAE-CZUORRHYSA-N 424.419 2.729 0 50 HFAA Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)[C@H]1NC(=O)C[C@H]1C 2325861023 CPLYZNASHGGEDI-PXAZEXFGSA-N 411.296 2.852 0 50 HFAA Cc1c(C(=O)N2C[C@H](C)[C@@H](NC(=O)c3cncs3)[C@H](C)C2)sc2nccn12 2325875854 DFDXHNGUODCADW-YABSGUDNSA-N 403.533 2.687 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)c(C)c1 1129457 MXGOZDYGEIAEOL-UHFFFAOYSA-N 416.543 2.662 0 50 HFAA Cc1cccc(CSCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 2988053 BTKVGJDGERGKNP-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1 2989584 HBVDAQQLVKHVNU-UHFFFAOYSA-N 402.925 2.749 0 50 HFAA COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccco3)n2C)CC1 7341912 QIZWSQAGIDBERK-UHFFFAOYSA-N 413.503 2.525 0 50 HFAA Cc1nc(CN2C[C@@H](OCc3ccncc3)CN(Cc3ccoc3)CC2=O)cs1 14744827 FNJRHZUCDLHHSL-FQEVSTJZSA-N 412.515 2.869 0 50 HFAA CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2)C(C)C 14987619 FKPRJMJKGSAUPO-FQEVSTJZSA-N 415.563 2.678 0 50 HFAA CCOC(=O)CNC(=O)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 15061598 IKHQYQVCISFGFF-UHFFFAOYSA-N 421.497 2.988 0 50 HFAA Cn1cc(CCNCc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 19224578 WBWPETXPBKZMJY-XMMPIXPASA-N 420.557 2.550 0 50 HFAA O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1 19832319 ZBHFUACXZWCEKR-AWEZNQCLSA-N 403.232 2.600 0 50 HFAA CCn1nc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)c1C 20602669 VPXRQWSGOHRYFQ-UHFFFAOYSA-N 401.536 2.687 0 50 HFAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CC(=O)N(Cc2cccnc2)C[C@@H](O)C1 39344658 QRQUANSBYCJWCD-BEFAXECRSA-N 407.436 2.737 0 50 HFAA CC(C)NC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 108330431 ZRWLOVZIKRNEKO-UHFFFAOYSA-N 421.544 2.923 0 50 HFAA C[Sn](C)(C)c1ccc([Sn](C)(C)C)s1 169895256 KKRPPVXJVZKJON-UHFFFAOYSA-N 409.759 2.839 0 50 HFAA CCn1c2ccccc2c2cc(/C=C/C(=O)N3CC[C@H](NS(C)(=O)=O)C3)ccc21 170629614 NBDXNDIHJSMWOJ-KAMXEHQASA-N 411.527 2.978 0 50 HFAA O=C(COc1ccccc1)N1CCC(C(=O)N2CCOC3(CCCCC3)C2)CC1 170641031 ZSNVVOODFRUYJG-UHFFFAOYSA-N 400.519 2.866 0 50 HFAA COc1ccc(CCC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1Br 253396948 BDTXNDLAUIZKTO-CQSZACIVSA-N 418.353 2.816 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3cc(F)cc(F)c3)C2=O)c1 463439100 ZANYEBQABDSRCK-FQEVSTJZSA-N 422.453 2.904 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](COc3ccccc3C)C2)cc1 952982969 ZHJKZXHWEZJEQH-KRWDZBQOSA-N 402.516 2.834 0 50 HFAA Cc1c(NC(=O)CCCn2cnc3ccccc3c2=O)cccc1-c1nncn1C 952990543 RCVAAOPVERSICX-UHFFFAOYSA-N 402.458 2.919 0 50 HFAA Cc1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)nnn1-c1ccc(F)c(Cl)c1 1775988945 SYRJEDLUWHXXCL-HKUYNNGSSA-N 421.904 2.727 0 50 HFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 1875262749 XWJTZKZLVALJGI-OAQYLSRUSA-N 418.497 2.851 0 50 HFAA COc1ccc(-c2cn(CC(=O)NCCc3c[nH]c4ccccc34)nn2)cc1OC 1875323033 TWGQOCAPINTMTR-UHFFFAOYSA-N 405.458 2.803 0 50 HFAA CCOCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](CC)Oc2cccc(C)c2)CC1 2325829534 LWRXIUJIPBEVNP-BJLQDIEVSA-N 400.519 2.781 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CN1Cc1cccnc1 2356163819 RVCJSVLBCMAKSX-QGZVFWFLSA-N 411.527 2.582 0 50 HFAA COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 821192 MQADWZSYSAIQKL-UHFFFAOYSA-N 418.515 2.830 0 50 HFAA CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 1070016 WAMWZMVWZCTNJV-UHFFFAOYSA-N 406.504 2.948 0 50 HFAA C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 2004103 QKDHBVNJCZBTMR-NSHDSACASA-N 417.387 2.904 0 50 HFAA in-man COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCCC2)o1 5042915 MKZBOZMPKKITBF-UHFFFAOYSA-N 420.531 2.868 0 50 HFAA aggregator O=C(c1cn(CCCNCc2ccc(-c3ccccc3)cc2)nn1)N1CCOCC1 12191566 DXMDWFBKZQCNKQ-UHFFFAOYSA-N 405.502 2.597 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)NCc2nc(-c3ccccc3)no2)CCC1=O 12432573 QJRXTYWXYLWHNY-GOSISDBHSA-N 420.469 2.800 0 50 HFAA COc1cc(CNCCc2cccc(C)n2)ccc1OC[C@@H](O)CN(C)C(C)C 12434790 OMRUGIUWINJIHO-NRFANRHFSA-N 401.551 2.811 0 50 HFAA Cc1cc(C)n(CCCNCc2ccccc2OC[C@@H](O)CN2CCCCC2)n1 12754524 ZGXCHTBEYONSIC-QFIPXVFZSA-N 400.567 2.905 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@@H](C)CSC)CC3)cc1 14537781 ZQZGMHNVGDCFKU-INIZCTEOSA-N 405.564 2.718 0 50 HFAA CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)CCc1c(C)noc1C)CC2 14541046 WEQKUNONPFSQFC-UHFFFAOYSA-N 402.495 2.838 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cc(C)no2)n1CCc1ccccc1 20784564 HVBKCCTXFDVNOP-UHFFFAOYSA-N 402.520 2.848 0 50 HFAA COCCn1c(CN(C)[C@@H](C)c2cccc(OC)c2)cnc1S(=O)(=O)CC1CC1 55226943 OBXGAQNDUYUJRY-INIZCTEOSA-N 421.563 2.915 0 50 HFAA Cc1nc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cs1 77422657 UTVYPESGGOGOEH-UHFFFAOYSA-N 414.512 2.846 0 50 HFAA O=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 169752404 CBDJDLZLQHQGSB-UHFFFAOYSA-N 414.465 2.830 0 50 HFAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239306118 GLLCMJANBCAWNW-DNYKTSCQSA-N 413.857 2.508 0 50 HFAA CCCCN(C)C[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 242273514 YDHFYGCTNRIZIG-KXBFYZLASA-N 402.564 2.920 0 50 HFAA C=CC(=O)Nc1cc(NC(=O)c2c(I)cnn2C)ccc1F 815767696 YKMZZIQKDWDADX-UHFFFAOYSA-N 414.178 2.541 0 50 HFAA O[C@@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@H]1Cc1ccccn1 1529139765 SANNJLWUPMTNER-AUSIDOKSSA-N 404.514 2.502 0 50 HFAA CSc1ccc2c(C)cc(N3C[C@@H]4CN(Cc5cc[nH]n5)C[C@]4(CO)C3)nc2c1 1772704650 OKWHEPAUIWVOPB-KSFYIVLOSA-N 409.559 2.919 0 50 HFAA CCCN1CCC2(CC1)OCCc1cc(C(=O)NCc3cnn(C)c3C)sc12 1857682440 KHGMUBVVMWLKHQ-UHFFFAOYSA-N 402.564 2.994 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3ccc(C)nc13)C2 1857698723 FXNHQNSFCDKPQT-PWHSHALESA-N 411.550 2.677 0 50 HFAA CCc1ncnc(N2C[C@@H]3[C@H](CNC(=O)c4cccs4)[C@H]4CC[C@]3(C2)O4)c1F 1857718795 TYBIPBQQTRVUDD-ZEEWZRGFSA-N 402.495 2.653 0 50 HFAA COC(=O)CCC1CCN(C(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)CC1 1857728922 FRQDVAYTEISUGK-HNNXBMFYSA-N 415.515 2.841 0 50 HFAA Cc1nc(N2CCCC2)nc(O)c1CC(=O)Nc1cnc(Oc2ccccc2)nc1 1875352973 HZRYOGKMOVXFGW-UHFFFAOYSA-N 406.446 2.854 0 50 HFAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCc1ccccc1)Cc1ccncc1 2325705233 AFPVQQNOSCSVEM-UHFFFAOYSA-N 414.465 2.769 0 50 HFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)Nc1cccc(-c2ccc(O)nn2)c1 2325720753 SKLQDYLYNYXVMA-OAHLLOKOSA-N 405.462 2.677 0 50 HFAA CC(C)CC(=O)NC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 4993527 FNEZAECOTGBKON-UHFFFAOYSA-N 403.957 2.984 0 50 HFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 8844841 VNDYKXWEBOUXOI-INIZCTEOSA-N 424.954 2.638 0 50 HFAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 14991291 ZXUNBGDKBDGNDZ-CALCHBBNSA-N 417.550 2.989 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCCn2cncn2)C1 15064691 WEKUJFPHEHRAFF-OAQYLSRUSA-N 402.470 2.612 0 50 HFAA CN1CCC(N2CCN(Cc3cccc(OC4CCCC4)c3)C[C@@H]2CCO)CC1 19787152 VAZQPDLTSKOCEA-QFIPXVFZSA-N 401.595 2.971 0 50 HFAA CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 20271257 DHRPGACAQIXNMQ-UHFFFAOYSA-N 411.531 2.624 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccccc1 136829003 WMLIDXMCWWRYCP-KCXPTXFHSA-N 407.857 2.771 0 50 HFAA CCN1C(=O)/C(=C\c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)N(CC)C1=S 137173899 KBKPYLLJGQSWDN-LICLKQGHSA-N 405.483 2.771 0 50 HFAA CCCCN(C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 242273511 YDHFYGCTNRIZIG-BEFAXECRSA-N 402.564 2.920 0 50 HFAA COc1ccc(OC)c(C=c2sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)c1 254486846 IMUYMBVNELVGDS-UHFFFAOYSA-N 420.490 2.580 0 50 HFAA Cc1cc(=O)n(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccccc12 334162394 SLWQCKXHHIBMGQ-LJQANCHMSA-N 403.438 2.603 0 50 HFAA COc1cccc(-c2cc(CC3(O)CCN(CC[C@@H]4COCCO4)CC3)on2)c1 1775983016 XBSJLOSCTYZUPL-LJQANCHMSA-N 402.491 2.525 0 50 HFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)C3CCN(c4nc5ccc(Cl)cc5o4)CC3)C[C@H]12 1857732144 DTVRCAMOHZNYHF-OSYLJGHBSA-N 402.926 2.964 0 50 HFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2)n1 1857798831 CHYRHCFTLGMAIB-MRXNPFEDSA-N 412.471 2.809 0 50 HFAA CC(C)n1cnnc1CCNC(=O)N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1 1875258748 RMHUSOVINVYBON-UHFFFAOYSA-N 407.400 2.850 0 50 HFAA Cc1cccc(OCC(=O)NC/C=C/CNC(=O)c2cc(Cl)c(F)cc2N)c1 2325850687 FMYDERUPNJTWQQ-NSCUHMNNSA-N 405.857 2.851 0 50 HFAA C[C@]1(O)CCOC2(CCN(C(=O)CCC(=O)Nc3ccc4c(c3)CCC4)CC2)C1 2356147455 WWVNCXYWWQLUJN-QFIPXVFZSA-N 400.519 2.817 0 50 HFAA COc1cc(C)ccc1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166651 HFCFBFMDGQNVEU-BSRJHKFKSA-N 400.519 2.904 0 50 HFAA CCCCN1C(=O)/C(=c2\sc3nc(-c4ccccc4)nn3c2=O)c2ccccc21 2673213 QXPYDXCKEYCEJL-ZCXUNETKSA-N 402.479 2.883 0 50 HFAA O=C(CCC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCc1cccnc1 12305750 WLEWEJDZMAWDGU-NRFANRHFSA-N 409.486 2.557 0 50 HFAA O=C(NCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 20533851 UQEJQUCUOGCVRG-UHFFFAOYSA-N 419.481 2.735 0 50 HFAA COc1ccc(NC(=O)NCCN2CCN(c3cc(OC)ccc3OC)CC2)cc1 55555030 VQYPMPFKIVUEBB-UHFFFAOYSA-N 414.506 2.656 0 50 HFAA O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(Cl)cc1 64084127 YOTBEGDZISIDMZ-MOPGFXCFSA-N 402.930 2.981 0 50 HFAA COc1ccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1 91807831 SIJVSDFHFFLXTI-NRFANRHFSA-N 402.535 2.958 0 50 HFAA CC(C)Cn1nc(CC(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c2ccccc2c1=O 170613735 MUHVFQMKVBWERM-GCJKJVERSA-N 410.562 2.976 0 50 HFAA CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NCCc1ccccc1F 225832960 UZQMWIOGMGOHCU-UHFFFAOYSA-N 415.531 2.534 0 50 HFAA CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccccc4C)oc3nc2n(C)c1=O 252508557 XOYKFRIWOBSUOF-UHFFFAOYSA-N 422.441 2.555 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3nc(CSC)no3)C2)cc1 1506414120 CLDAGJUWJDTNMW-MRXNPFEDSA-N 404.536 2.512 0 50 HFAA O=C(C1CCN(CCO)CC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704327928 JONXAQLCPKQHFW-VWLOTQADSA-N 420.557 2.654 0 50 HFAA Cc1ncn(C)c1-c1nc(COc2cccc(Cl)c2)nn1C[C@H]1COCCO1 1857710324 QRTNWIAQZYDNKK-INIZCTEOSA-N 403.870 2.635 0 50 HFAA Cn1cncc1C(=O)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)s3)C[C@]23CC[C@H]1O3 1857729186 MEPGELSQSZQHOL-XWESNNAXSA-N 406.939 2.544 0 50 HFAA COc1cccc(F)c1CN1C[C@@H]2[C@H](CNC(=O)c3ccco3)[C@H]3CC[C@]2(C1)O3 1857738074 QKNISHPVJAGDSW-LCFVAKEKSA-N 400.450 2.837 0 50 HFAA O=S(=O)(c1cn[nH]c1)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875240846 HZNNECANCZYUSN-VQTJNVASSA-N 413.455 2.642 0 50 HFAA CCN1CCCC[C@@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 2325720757 XOJFQWKWQNYIGU-NHCUHLMSSA-N 400.567 2.990 0 50 HFAA CN(C)[C@](C)(C(=O)NCCCNC(=O)[C@@](C)(c1ccccc1)N(C)C)c1ccccc1 2325724274 ZNRQVEVQGZLWLG-PLQXJYEYSA-N 424.589 2.563 0 50 HFAA CCCn1c(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)nc2c1CCOC2 2325855532 FBSQNCOIQVWHMH-UHFFFAOYSA-N 421.457 2.904 0 50 HFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3c[nH]c(=N)nc3-c3ccccc3)C1)CC2 2356155225 CHAZWGYXGCRYEE-QHCPKHFHSA-N 400.486 2.775 0 50 HFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 1141367 OSQIBESMJYVTEL-MRXNPFEDSA-N 417.531 2.928 0 50 HFAA CN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 1160638 USHHZEZBFVTFGP-UHFFFAOYSA-N 401.257 2.847 0 50 HFAA Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 2602983 QICRPHYLJLBWSV-UHFFFAOYSA-N 423.904 2.790 0 50 HFAA biogenic CC(C)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O 11785840 YUHBPYNOHBQTLP-XMMPIXPASA-N 423.513 2.804 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@@H]1CCOC1 12054413 KLQRJDYMXKFKHJ-MRXNPFEDSA-N 421.501 2.746 0 50 HFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCCCCC3)c2)CC1 12072744 LVSNFCXFEYYSAH-NRFANRHFSA-N 404.551 2.687 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 12386293 IKKLFOUOEHLGFW-HXUWFJFHSA-N 419.566 2.814 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 12854056 XWAIYJKVMQLIJK-UHFFFAOYSA-N 422.572 2.561 0 50 HFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 13681096 DBNOEXGSEZWZCG-UHFFFAOYSA-N 424.482 2.635 0 50 HFAA COc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14541801 TUDCVCDHSTVLAV-QGZVFWFLSA-N 408.502 2.941 0 50 HFAA COc1ccc(C(=O)N2CCN(Cc3cccc(OC)c3OC)CC2)cc1OC 19567926 QZDJUXHDZUHFAO-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1 20451969 KUVDLXPMZVONHX-QGZVFWFLSA-N 423.517 2.748 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc3ncccc3c2)n1CCOC 67818858 VPLMUBZHPVIDGO-UHFFFAOYSA-N 402.520 2.503 0 50 HFAA CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1)c1ccccc1 170615782 TVOMNAOEPPKSHP-DNVCBOLYSA-N 418.515 2.798 0 50 HFAA COc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c(I)c1 471408201 ZEMUAPCCTAGGBX-UHFFFAOYSA-N 421.198 2.732 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCCN(c2cccc(F)c2)C1 495206753 ZXASFWIRWPRPHG-KYGFDJKFSA-N 411.521 2.603 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@H]2CCN(C3CC3)C2)ccc1F 1704335535 OKHDNVPQQUFTQD-CYBMUJFWSA-N 402.470 2.769 0 50 HFAA CN1CCN(C2(Cn3ccnc3-c3cc4ccccc4n(C)c3=O)CCCC2)CC1 1857690536 MRSYDQAFNLLPCA-UHFFFAOYSA-N 405.546 2.962 0 50 HFAA CCN(CC)Cc1cc(C(=O)N2CCO[C@@H](c3nnn(C)n3)C2)c(-c2ccccc2)o1 2100483153 VJTYKQCDBGBVTF-LJQANCHMSA-N 424.505 2.526 0 50 HFAA O=C(O)c1n[nH]cc1CN1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 2100548082 UEXXGUVMEHYXCX-UHFFFAOYSA-N 405.458 2.751 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@@]34CCCN[C@H]3CCC4)c2c1 2325840298 WYAMZNHLONHRFW-DOTOQJQBSA-N 408.287 2.991 0 50 HFAA O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2478449 NSKUJZSEFIQSFD-UHFFFAOYSA-N 403.485 2.570 0 50 HFAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 4593574 RJLKSNZPIIILML-KRWDZBQOSA-N 407.488 2.985 0 50 HFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 11714953 JJLOLASUOYQSFU-LBPRGKRZSA-N 403.389 2.680 0 50 HFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC(C)(C)C)C3)n(C)n1 11966271 XSQLFSMKBVCQDH-UHFFFAOYSA-N 411.550 2.937 0 50 HFAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1OC 12124360 VUULKEGTODCCMA-SFHVURJKSA-N 413.522 2.759 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC(COC)CC2)n1CCc1ccccc1 12317562 OSTCSPVSNQFCIN-UHFFFAOYSA-N 405.564 2.778 0 50 HFAA O=C1CCCN1CCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 15069726 ITOHRPBHOCWLNO-MRXNPFEDSA-N 421.925 2.552 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 16649041 YCFDIOJJYQPCIF-UHFFFAOYSA-N 402.907 2.989 0 50 HFAA Cc1nnc(CN(C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)o1 19791312 UEDMJZIHMOGWGQ-UHFFFAOYSA-N 417.535 2.836 0 50 HFAA O=C(CC1CCCC1)NCCCN1CCN(CCCNC(=O)CC2CCCC2)CC1 20160332 MICCFIPNOGBTML-UHFFFAOYSA-N 420.642 2.777 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)NCc2cccnc2)[C@H](c2ccccc2Cl)N1C 55368603 AAMJHQJPXUXEJN-MDKPJZGXSA-N 401.894 2.976 0 50 HFAA O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccsc1 64058495 MGLQEPICUUYQPJ-WBVHZDCISA-N 402.911 2.520 0 50 HFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)c(Cl)c1 169760136 WWJFEMVUFQMWAX-UHFFFAOYSA-N 402.857 2.874 0 50 HFAA COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 170624944 VZEXZFSAPNMLHL-LLVKDONJSA-N 420.263 2.864 0 50 HFAA CN(C)c1c(Cl)cccc1NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 253405686 OTAMEIZLJKZXOC-UHFFFAOYSA-N 402.813 2.846 0 50 HFAA CC[C@@H](CO)NC(=O)Cc1ccc(N[C@H](COC(C)=O)c2ccc(Cl)cn2)cc1 253415964 GHIDNVDJCXWFDS-FXAWDEMLSA-N 419.909 2.881 0 50 HFAA Cc1cc(N2CCN(C(=O)CN3CCCCCC3)CC2)nc(-c2ccccc2O)n1 952981532 ZYPVBEYMOIMVLQ-UHFFFAOYSA-N 409.534 2.682 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2noc(C(C)C)n2)ccc1F 1704308164 GJPCQBISGIMUSP-UHFFFAOYSA-N 403.414 2.992 0 50 HFAA O=C(CN1CCc2ccccc2C1)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 1772700683 ICAJNPFEAWWQMN-UHFFFAOYSA-N 401.894 2.666 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccncc4F)C[C@@]3(CCC(=O)O)C2)c(C)o1 1772809991 BSWNHULFBKGGBY-BTYIYWSLSA-N 401.438 2.874 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCOc2ccccc2)cn1 1857733005 QIIYBTUNGVXTKI-GMAHTHKFSA-N 412.534 2.644 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3c(cccc3C(F)(F)F)[C@H](C(=O)OC)C2)C1 1875371818 MQXZEZKGHFFMAE-XJKSGUPXSA-N 424.419 2.729 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@H]3CNCCC34CCC4)c2c1 2325839721 CDNANTDKDGUVMQ-GFCCVEGCSA-N 408.287 2.848 0 50 HFAA Cc1cc2c[nH]nc2cc1-c1nc(CS(C)(=O)=O)nn1-c1nc2ccccc2[nH]1 2325872822 OGPOENQKAHWUHB-UHFFFAOYSA-N 407.459 2.540 0 50 HFAA CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)c(F)c2F)s1 2325874319 IIQOTSUCHKMGSM-LURJTMIESA-N 422.406 2.862 0 50 HFAA CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O 1131962 MAYUSDIPGRQUOG-UHFFFAOYSA-N 401.488 2.571 0 50 HFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 1160005 NJYMVCDWCKVYAX-UHFFFAOYSA-N 420.443 2.546 0 50 HFAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 2865469 JRYSIBYTLZQSLH-INIZCTEOSA-N 404.488 2.795 0 50 HFAA O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 4181200 KOAQFFBNKVWJLF-UHFFFAOYSA-N 423.288 2.735 0 50 HFAA CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 12304166 GBTCGOQWGKTOJO-MRXNPFEDSA-N 403.523 2.985 0 50 HFAA COc1cc(CNCCc2cccc(C)n2)ccc1OC[C@H](O)CN(C)C(C)C 12434791 OMRUGIUWINJIHO-OAQYLSRUSA-N 401.551 2.811 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3sccc3C)C2)cc1 13545323 TZUCLPJPSGNKEJ-OAHLLOKOSA-N 408.545 2.896 0 50 HFAA Cc1ccc(CN2CCN3C(=O)[C@H](CSCc4ccccc4)NC(=O)[C@H]3C2)cc1C 14538928 CGLNZUYFDDLTEK-FCHUYYIVSA-N 423.582 2.748 0 50 HFAA Cc1ccc(Oc2ncccc2CNC(=O)C[C@H]2CN(C)CCN2C)c(F)c1F 20540083 WRFJVTPJZPSQRH-INIZCTEOSA-N 404.461 2.713 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CNCCc2ncccc2C)cc1OC 23338936 LPTLYLBXDBKETB-HXUWFJFHSA-N 401.551 2.812 0 50 HFAA CSCCNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 23373728 FWFLQBVQQJRJAX-VMPITWQZSA-N 400.548 2.598 0 50 HFAA Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1 38628584 IRTDIKMSKMREGO-OAHLLOKOSA-N 408.458 2.711 0 50 HFAA in-man COC[C@@H](C)n1c(CCCC(=O)N2CC(n3nc(C)cc3C)C2)nc2cccnc21 77471226 SOJMSYPVMNQQCE-QGZVFWFLSA-N 410.522 2.858 0 50 HFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@H]1CCOC1)C(=O)OC2 221697380 JTYOAVCKMPLYHD-LCCUQNOHSA-N 403.475 2.801 0 50 HFAA C[C@@H](C(=O)Nc1ccc2c(c1)ncn2CCCN(C)C)n1cnc2ccccc2c1=O 252497965 QSLSPZMLHOUIJP-INIZCTEOSA-N 418.501 2.898 0 50 HFAA COC(=O)N1CCC[C@H](C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1 252517652 OBMSOHARYWIODS-FSGKZVOOSA-N 414.502 2.739 0 50 HFAA O=S(=O)(NCc1csc(-c2cnccn2)n1)c1cc(-c2ccno2)cs1 828392577 VQYRHLRSJLEDCG-UHFFFAOYSA-N 405.486 2.795 0 50 HFAA O=C(Cn1c(SC2CCCCC2)nc2ccccc21)N1CC[C@H](CO)[C@@H](O)C1 1529114619 QZYDEVODXVPGAH-BEFAXECRSA-N 403.548 2.663 0 50 HFAA CCCCSCc1cc(C(=O)N2C[C@@H]3CN(C(=O)C4CC4)C[C@@]3(CO)C2)oc1C 1772704471 UDSUGJSKRNUIFB-AVRDEDQJSA-N 420.575 2.924 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@@]2(CCc2ccccc2)C1 1772707605 WGKMYAMVTQYCTP-XMSQKQJNSA-N 412.559 2.615 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@]2(CO)C1 1772809657 ZNKAASTWQUTQQO-KKSFZXQISA-N 414.893 2.642 0 50 HFAA COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917491 UZFHOGXMAAPTER-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA Cc1c([C@@H](C)NC(=O)c2ccc(N3CCN(C)CC3)cc2)cnn1-c1ccccn1 12301229 HPMRQIYTCVQGRF-QGZVFWFLSA-N 404.518 2.819 0 50 HFAA CCn1cc(CNCc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 12303642 OIZXIMDHAYLGQN-XMMPIXPASA-N 420.557 2.991 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CNCc2ccc3nonc3c2)cc1OC 14961909 FCKFXLJPMZCNNA-GOSISDBHSA-N 414.506 2.603 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 19862730 FWDPWEKTTXOMLS-UXPWSPDFSA-N 411.502 2.540 0 50 HFAA COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC[C@@H](O)CN1CCCC1 19867692 VZTJLHJUGXYHAH-QFIPXVFZSA-N 417.594 2.591 0 50 HFAA CC(C)c1nc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)no1 82106090 MFKFCGKMYVMYEV-SFHVURJKSA-N 412.538 2.585 0 50 HFAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 104272270 WJPVALWHXGUUEI-OKYOBFRVSA-N 405.841 2.937 0 50 HFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccccc1F 169752460 JCPZTDIQTOFRTG-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA O=C(Cc1ccc(F)cc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169779636 NOCPFDBNJBVNCL-UHFFFAOYSA-N 412.440 2.847 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252498837 RNEWONJCLMSXPD-IEBWSBKVSA-N 408.502 2.850 0 50 HFAA Cc1ccc(-c2nn3ccn(CC(=O)N(C)C4CCCCC4)c(=O)c3c2CO)cc1 263619643 ZTMCWRCTLLOPHN-UHFFFAOYSA-N 408.502 2.755 0 50 HFAA C[C@@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCN1CC(C)(C)O 436037348 ZNDCSFNBNAWUMM-QGZVFWFLSA-N 423.985 2.875 0 50 HFAA Cc1ncc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c(-c2ccccc2)n1 670444703 VACDGLHDWQWHLZ-WDXRGRCHSA-N 415.501 2.916 0 50 HFAA C[C@@](O)(CNC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccsc1 740908934 DOSIBVYIOHNQOP-FXAWDEMLSA-N 403.504 2.573 0 50 HFAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(O)(c4ccccn4)CC3)CC2)cc1 825168338 BQDWFHRIJNYQGG-UHFFFAOYSA-N 407.514 2.752 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C(C)=O)s2)cc1OC 1529101358 FVJIINHKWBQVGB-VQIMIIECSA-N 405.472 2.543 0 50 HFAA COc1ccc(S(=O)(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1C(C)C 1772712138 NWOFHEAPGBUIGA-KRWDZBQOSA-N 402.516 2.550 0 50 HFAA CCCn1ncc(CN2CCC(C3CCN(C(=O)c4[nH]nnc4C)CC3)CC2)c1C 1857716757 RVTNRXMTDVXXDL-UHFFFAOYSA-N 413.570 2.792 0 50 HFAA COC(=O)c1cc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)c[nH]1 1875261593 OGPMAIDUUZNCMW-UHFFFAOYSA-N 413.503 2.871 0 50 HFAA COC(=O)[C@](C)(CNC(=O)C[S@@](=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875327935 QCAMFRNCMSADAT-XHCCPWGMSA-N 411.882 2.834 0 50 HFAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)nc12 1875350423 MKIAHWLKSIIMPN-JTQLQIEISA-N 407.352 2.503 0 50 HFAA C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)Nc2cccc3c2cnn3C)CC1 2325749608 DATBOULSWIVAPH-MRXNPFEDSA-N 405.502 2.854 0 50 HFAA CC(C)(O)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Cl)n2C[C@@H]2CCCO2)CCO1 2325840280 WFPPPZLIIBBDLW-YOEHRIQHSA-N 424.904 2.893 0 50 HFAA Nc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3c(cc12)CCCC3 2978692 XCPOABQQFFTMCZ-UHFFFAOYSA-N 402.501 2.657 0 50 HFAA Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 4414892 VHPIUFHBUHFSLU-UHFFFAOYSA-N 423.542 2.973 0 50 HFAA CSc1ccc(C[C@@]2(CCC(=O)N(C)CCc3cnn(C)c3)CCC(=O)N2)cc1 11872503 NYIVZRQWLBSSIR-QFIPXVFZSA-N 414.575 2.815 0 50 HFAA COC(=O)c1cc(CNC(=O)c2cc(C)nn2C)cc(NC(=O)C2CCCCC2)c1 12190509 PKUAWEIGZLGNMK-UHFFFAOYSA-N 412.490 2.964 0 50 HFAA Cc1noc(C)c1CO[C@H]1CN(CC(C)C)C(=O)CN(C2CCN(C(C)C)CC2)C1 14532592 OHHKPTGKAUNBMC-OAQYLSRUSA-N 420.598 2.850 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 17088072 XNOXPFUXFIRFBP-UHFFFAOYSA-N 408.545 2.505 0 50 HFAA Cc1c(NC(=O)c2cccc(CN3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 33359571 XTBMSZAYMPYTHQ-UHFFFAOYSA-N 406.486 2.569 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 33700115 YFNQNDCDDPROQM-OBHPCNEJSA-N 414.483 2.609 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCc1ccccc1 55088623 IZFJNCIUSKFMSB-LJQANCHMSA-N 419.447 2.755 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)cc1 77503456 HHKLBZYFSANODB-MXBUBSDBSA-N 407.470 2.743 0 50 HFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(F)cc1 239331307 KLRHIQVZIOFVSA-YZXKGSGOSA-N 408.351 2.732 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]54)[C@H]23)cc1OC 245256167 OFNAHFMPUNUEAG-GABUXPJOSA-N 418.449 2.878 0 50 HFAA CN(CCc1nc(-c2ccccc2)no1)S(=O)(=O)c1cn(C)nc1C(C)(C)C 1475288747 AVIUKHUAIBTIHG-UHFFFAOYSA-N 403.508 2.631 0 50 HFAA O=C(c1ccncc1)N1CCC(N2CCC(c3nnc4n3CCCCC4)CC2)CC1 1506408490 SRIBPSWYMFPYBJ-UHFFFAOYSA-N 408.550 2.884 0 50 HFAA COc1ccc2c(c1)C=C(CN1CCC3(CCC[C@H]3NS(C)(=O)=O)CC1)CO2 1857710714 LPFVSNWTAHUXJR-HXUWFJFHSA-N 406.548 2.655 0 50 HFAA CCNc1nc(N[C@H](C)CC)nc(Oc2ccc(C(=O)OCC(=O)OC)cc2)n1 1131431 MBGGAZJUYGJBAD-GFCCVEGCSA-N 403.439 2.636 0 50 HFAA COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 2969637 KTNCDOAWRDFBEH-UHFFFAOYSA-N 400.294 2.987 0 50 HFAA COc1ccc(CCN2C(=O)N[C@](C)(C3CCN([C@H]4CCSC4)CC3)C2=O)cc1 11842022 XNXYSORMOBPIHU-PGRDOPGGSA-N 417.575 2.766 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)c(OC)c1 11935479 AWDXNIVVWKVCKC-INIZCTEOSA-N 414.506 2.684 0 50 HFAA COC[C@@H]1CCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)C1 12445700 RZWRGWVAZOLEIQ-LJQANCHMSA-N 405.564 2.981 0 50 HFAA NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 13944773 AXXIPKIGLOABCM-OAHLLOKOSA-N 424.888 2.950 0 50 HFAA CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccccc4)C(=O)N3C2)cc1 14732393 ZCBLXBMWBZGHPH-HBMCJLEFSA-N 420.513 2.642 0 50 HFAA CN1CCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 19720965 NTLLZHJPZJRIJY-LJQANCHMSA-N 405.546 2.623 0 50 HFAA Cc1nnc(CN(C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)o1 19836178 JWCSNYUNKOKEKC-UHFFFAOYSA-N 404.474 2.930 0 50 HFAA CCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 39537953 JBBMNCYWBJDTQX-JOCHJYFZSA-N 400.567 2.987 0 50 HFAA Cc1csc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1 82091184 TZKGDAFHUHWEIM-LJQANCHMSA-N 413.591 2.839 0 50 HFAA O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82121420 LIUHDRGKAIEBMS-OAQYLSRUSA-N 414.594 2.569 0 50 HFAA CCN(CC)CCc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 170612074 RNBNBKPHLZYHDQ-JOCHJYFZSA-N 403.615 2.964 0 50 HFAA C[C@H](NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc12 229847226 JKAQESWOQFHOJO-AZUAARDMSA-N 409.530 2.588 0 50 HFAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 255992840 OQARDMYXSOFTLN-MQCMDXNYSA-N 406.519 2.920 0 50 HFAA CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 481569879 HRQFMLMGURXVGU-HNNXBMFYSA-N 410.921 2.958 0 50 HFAA CC[C@@](O)(C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)c1cccc(Cl)c1 800513081 RBDAPRMRFZRYSB-NRFANRHFSA-N 402.878 2.628 0 50 HFAA COc1ccc([C@H](CC(=O)NCCCN(C)C)c2cc3c(cc2O)OCO3)cc1 824655222 XZUJEQJAFFQTMZ-KRWDZBQOSA-N 400.475 2.719 0 50 HFAA biogenic CN(C)Cc1ccc([C@H]2CCCCN2C(=O)COc2ccc(-n3cnnn3)cc2)cc1 952873070 FUDFIPSWVQLNRW-JOCHJYFZSA-N 420.517 2.857 0 50 HFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 1506412496 DOJUPOJZTBQBBK-IBGZPJMESA-N 403.486 2.930 0 50 HFAA Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1 1857533025 TZLOYAYGYUUADL-UHFFFAOYSA-N 402.451 2.576 0 50 HFAA C=CC(=O)NC[C@@H](NC(=O)[C@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875383241 MDPLPSXMMLMQNF-FGZHOGPDSA-N 421.497 2.871 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccncc2Cl)CC1 2100555994 BBBOKZUYTYOZQQ-UHFFFAOYSA-N 415.925 2.547 0 50 HFAA NC(=O)[C@]1(NC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C[C@@H](O)C1 2325872637 HJPGLCNNTSXXOH-NXHRWCDGSA-N 413.524 2.576 0 50 HFAA Cn1cc(Cl)cc1C(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2356136030 DIVWCKDORFBJQO-WIYYLYMNSA-N 404.894 2.979 0 50 HFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(Cc2ccccc2OCCn2ccnc2)C1 2356140601 NFRCLWXKTHNPTK-HSZRJFAPSA-N 404.518 2.645 0 50 HFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc2nnc(-c3cccn3C)n2c1 2356151596 PKESWJYFAAHDRC-UHFFFAOYSA-N 413.441 2.656 0 50 HFAA O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccnc1 810025 IDYFFWRSZBCNID-UHFFFAOYSA-N 401.532 2.942 0 50 HFAA CN(CCc1ccccn1)[C@@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1O 11665469 CDKSZKXJCAMGSR-DHIUTWEWSA-N 405.546 2.592 0 50 HFAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 12158497 YXAWNALQSURKRS-KSFYIVLOSA-N 404.482 2.650 0 50 HFAA CC(C)NC(=O)c1cn(C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)nn1 12281090 HGYVPESSRYCRSW-UHFFFAOYSA-N 407.877 2.615 0 50 HFAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCCCn2cccn2)cc1 12836503 FUWTZWIQWOHVOD-HSZRJFAPSA-N 408.546 2.935 0 50 HFAA CCCS(=O)(=O)c1ncc(CN2CCc3ccccc3C2)n1C[C@H]1CCCO1 15068769 RNOJKXYTWBMQDV-HXUWFJFHSA-N 403.548 2.804 0 50 HFAA CCN(CCO)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 19771245 FAINNDHSETZXNV-UHFFFAOYSA-N 415.519 2.608 0 50 HFAA Cc1cc(C)cc(NC(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 65364465 LIMJZZAZFMBHPG-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA COc1ccccc1C(=O)N1CCN(Cc2nc(Cc3ccccc3F)no2)CC1 67894725 UBGLDGUGUDNWHX-UHFFFAOYSA-N 410.449 2.766 0 50 HFAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[C@H](N(C)C)C1 71749478 ULCXUJYUEHPWNY-SFHVURJKSA-N 411.575 2.846 0 50 HFAA Cc1[nH]nc(C(N)=O)c1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 110673619 CZHQZDBDNDBHEH-MDZDMXLPSA-N 413.441 2.717 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1 169777448 SIKMUXZFNXQMRU-UHFFFAOYSA-N 424.461 2.700 0 50 HFAA C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H](CO)O1 170605401 OJCARWMCSSMDHJ-LRDDRELGSA-N 407.264 2.858 0 50 HFAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239135330 LBSIMHOZLIGMKS-LXUKPJCLSA-N 404.466 2.758 0 50 HFAA CCN1CC[C@@H](CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 426490365 BCYBUJJJSDNDHQ-INIZCTEOSA-N 402.564 2.983 0 50 HFAA CC(C)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1287690579 JNQRVWZLOKOFKZ-UHFFFAOYSA-N 413.522 2.507 0 50 HFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)O1 1857709724 NOSVDIZGUPAGSO-SJLPKXTDSA-N 409.596 2.900 0 50 HFAA O=C(c1ccc(OCc2ccccc2F)cc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857710283 OWOCMPIAZODIFA-OFNKIYASSA-N 410.445 2.968 0 50 HFAA COCc1noc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)n1 1857736217 FMYOWWWASUKYJA-NSHDSACASA-N 405.842 2.543 0 50 HFAA Cc1sc2nc(-c3cccnc3)nc(N(C)CCN(C)S(C)(=O)=O)c2c1C 1875253076 OYXRNHMPIVPYPO-UHFFFAOYSA-N 405.549 2.698 0 50 HFAA O=C(Nc1ccc(Cl)cc1)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1875289371 MLMUNSWZBOMTER-QGZVFWFLSA-N 406.891 2.667 0 50 HFAA NCC12CC(NC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)(C1)C1(CCC1)O2 2325839877 HRJZGNCUSCWNKH-UHFFFAOYSA-N 422.316 2.546 0 50 HFAA COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 2178514 LQQYUWYEOUBXOY-DZZSIBQASA-N 414.389 2.779 0 50 HFAA C[C@H]1CCCCN1C[C@@H](O)COc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)cc1 4754601 SUXCVKYOWFEMAD-ZDNVTZCJSA-N 420.594 2.915 0 50 HFAA CC[C@@H](C)CNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12 11786217 DMTHGMBNVSHWJI-CQSZACIVSA-N 409.490 2.996 0 50 HFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2cccnc2)c1=O 11913513 LNZBIQPYCCIKSG-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCCN(Cc2ccccc2F)C1 12701590 SSBYJEUZFGLOEZ-SFHVURJKSA-N 408.477 2.707 0 50 HFAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)o1 14749261 WYHWHJLAXZBUFL-KRWDZBQOSA-N 400.523 2.560 0 50 HFAA COCCSc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 16650278 LLMYKKSXFZORJR-UHFFFAOYSA-N 412.562 2.829 0 50 HFAA CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 20513141 JZUGPXMUTSKJRW-UHFFFAOYSA-N 403.504 2.762 0 50 HFAA CCn1nc(C)c(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)c1C 20602586 IQWDKORZVAAMDL-UHFFFAOYSA-N 419.526 2.826 0 50 HFAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758677 XEGICVUGHKCCST-HXUWFJFHSA-N 410.518 2.923 0 50 HFAA O=C(c1ccc(Br)o1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221643864 CJTIIVWHTOYARO-UHFFFAOYSA-N 417.263 2.936 0 50 HFAA CC(=O)N1C[C@H](O)C[C@@H]1c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 225630889 FQMOGZUTLLWXEG-YLJYHZDGSA-N 403.442 2.789 0 50 HFAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC(C(=O)N3CCCC3)CC1)C[C@@H](C)O2 299789648 ZCUZWVPCEZOFFE-LJQANCHMSA-N 413.562 2.829 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1)c1ccco1 408520942 CHSXJQMJZUAVOV-UHFFFAOYSA-N 400.460 2.823 0 50 HFAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1[nH]c2ccccc2c1Br 480721522 WSRHRJYVWVAOER-JTQLQIEISA-N 404.186 2.823 0 50 HFAA CC1(C)CN([C@@H](CNC(=O)c2cnn3ccncc23)c2ccc(Cl)cc2)CCO1 496110898 KJJAGSIWINDTEW-SFHVURJKSA-N 413.909 2.965 0 50 HFAA Cc1c(NC(=O)[C@H]2Cc3ccccc3C(=O)N2)cccc1C(=O)Nc1nccs1 952870280 ZMWDNCWRPFKXSY-QGZVFWFLSA-N 406.467 2.997 0 50 HFAA COc1ccc(-c2ccnc(C3CCN(C(=O)NCc4ccc(O)nn4)CC3)n2)cc1 952892924 JZOFDASDOYXKJC-UHFFFAOYSA-N 420.473 2.737 0 50 HFAA Nc1nc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)nc2sc3c(c12)CCCC3 1772710093 RFTZNIFSRZCCFS-HNNXBMFYSA-N 407.543 2.695 0 50 HFAA COCc1cc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)[nH]n1 1857672957 BGJODOZTOBPHCP-LBPRGKRZSA-N 403.870 2.884 0 50 HFAA Cc1ccc(OCCc2nnc(NC(=O)CSc3nncn3C)s2)cc1C 1875247819 PSOWOMSVQVZWEI-UHFFFAOYSA-N 404.521 2.636 0 50 HFAA CN1CC[C@H](O)[C@H](C(=O)NC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 2100536995 FXLLJGUCFCDEDL-RPWUZVMVSA-N 407.558 2.747 0 50 HFAA O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 631440 PBGCBOOISHZIEO-UHFFFAOYSA-N 418.862 2.948 0 50 HFAA CN1C(=O)[C@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 1127892 XJOYEIVBZVRFAU-KRWDZBQOSA-N 407.207 2.728 0 50 HFAA C[C@@H](NC(=S)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 4182722 UZWMEPAAOKHWGP-RWLLOJOVSA-N 421.632 2.946 0 50 HFAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 11907601 PNGIGRVJIORNMI-UHFFFAOYSA-N 419.934 2.978 0 50 HFAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCOc2cccnc2)CC1 12439466 IXCDPVOLDFSEGU-UHFFFAOYSA-N 417.893 2.934 0 50 HFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NC1Cc3ccccc3C1)C2 14535649 IMOAOJSLZYFKCM-FQEVSTJZSA-N 415.541 2.842 0 50 HFAA COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 36372275 TVYBDQDXSLBDGV-WDHRTYSLSA-N 416.514 2.678 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCC[C@H](OC)C2)c1 76996774 JJSVABVQEQOCDE-IBGZPJMESA-N 416.518 2.726 0 50 HFAA CCOCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2C1 77354069 MHOKEXYJJJITLT-MRXNPFEDSA-N 402.516 2.647 0 50 HFAA C[C@@]1(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccnc4)ccc3C2)CCCCO1 77437431 KFWTYRZISRHJMY-NRFANRHFSA-N 415.515 2.726 0 50 HFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169777980 HSBTVJQOGFKDRF-GFCCVEGCSA-N 422.367 2.876 0 50 HFAA C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 170626433 XGERYQWTFVJIQJ-IUCAKERBSA-N 405.289 2.963 0 50 HFAA COc1ccc(-c2n[nH]c(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)n2)cc1 252549723 RTMAPTMCCQBYGA-MRXNPFEDSA-N 420.429 2.599 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccn2)CC1 299798161 QDQIAPOWXFWXOZ-QFIPXVFZSA-N 413.493 2.534 0 50 HFAA CCCc1c(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=N)O)C2)[nH]c(C)c1C(=O)OC 328602363 BJTVKMRAWVFJLU-GFCCVEGCSA-N 401.467 2.688 0 50 HFAA CCS(=O)(=O)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988547 VBNNXPSSJVPESL-FZMZJTMJSA-N 400.426 2.509 0 50 HFAA O=C(c1ccccc1)c1cc(F)c(F)cc1C(=O)N1CCN(c2ccc(O)nn2)CC1 1875262038 BTMVXBIPUONAAV-UHFFFAOYSA-N 424.407 2.654 0 50 HFAA C[C@]1(C[C@H]2CCCN2C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)NC(=O)NC1=O 1875330610 VIKIRKUYCBOBNM-KZULUSFZSA-N 410.396 2.571 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1940197759 OJSXQXCQANYVSU-UHFFFAOYSA-N 419.485 2.635 0 50 HFAA O=C(NC1CC2(CCCCCC2)C1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819369 CKHZOKSODOGKBA-UHFFFAOYSA-N 415.509 2.729 0 50 HFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c2c(C)noc2n1 2356152821 BQKDJTUOUYTYCW-QFIPXVFZSA-N 406.490 2.816 0 50 HFAA CC1CCN(C(=O)C2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)CC1 4704109 GLNCJORFGALERL-IBGZPJMESA-N 417.937 2.942 0 50 HFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 7054466 VPCSZWJWEFBLGT-ZDUSSCGKSA-N 400.547 2.970 0 50 HFAA CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1 9089846 MTDWABYUWVMVBB-UHFFFAOYSA-N 405.506 2.918 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2C)c(C)c1C 12385288 PGLTVBGXASLPLR-NRFANRHFSA-N 409.530 2.627 0 50 HFAA CCOC(=O)c1csc(CCNC(=O)c2cn(CCC3CCCCC3)nn2)n1 12591861 ZEUQULIIYBWYAH-UHFFFAOYSA-N 405.524 2.854 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCCc1ccncc1)CC2 14749544 STFCOUYUAPBDCM-HXUWFJFHSA-N 403.530 2.777 0 50 HFAA O=C1CCCN1c1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 26833044 REZBTRYTNZEMAT-UHFFFAOYSA-N 413.543 2.540 0 50 HFAA C[C@@H]1CN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CCN1 67834156 UCRFYDLEDKKHAY-QGZVFWFLSA-N 405.546 2.669 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 96203878 APSXPQQQDGLTLX-UVBJJODRSA-N 404.850 2.708 0 50 HFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 109818344 DJSYGAKLGMVDCE-UHFFFAOYSA-N 423.304 2.830 0 50 HFAA CO[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@@H]1C 221922889 GKJGQSJURVZRSB-IAOVAPTHSA-N 409.324 2.937 0 50 HFAA C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 241587942 OYHFMODSIJTTHP-GMQQQROESA-N 423.557 2.732 0 50 HFAA O=C1NCCN2CCN(Cc3ccccc3OCc3c(F)cccc3Cl)C[C@H]12 828314631 CBHOWYYNFDUGLT-LJQANCHMSA-N 403.885 2.674 0 50 HFAA COc1cc(-c2onc(NCC3(CN4CCN(C)CC4)CC3)c2C(=O)O)ccc1F 1704315357 ATGYBMGLSCQNIT-UHFFFAOYSA-N 418.469 2.627 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772819557 OYVHCJIMRWRSTA-HTAPYJJXSA-N 410.543 2.510 0 50 HFAA COC(=O)[C@H](NC(=O)c1cccs1)c1nnc(Nc2ccc(OC)cc2)s1 1775976149 KGTYRUYTRFZZKJ-CYBMUJFWSA-N 404.473 2.996 0 50 HFAA C[C@@H]1Cc2cc(Br)cc(F)c2CN1C(=O)c1cnn2c1C[C@H](N)CC2 2325829609 NVLRTERRGPQAIJ-ZWNOBZJWSA-N 407.287 2.645 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1OC 779602 BOXPLJKFTBPDCZ-UHFFFAOYSA-N 418.877 2.721 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1 1069584 MOLPQOZCSNHRFH-MRXNPFEDSA-N 404.829 2.840 0 50 HFAA CC[C@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1c(C)cccc1C 2461694 DLEQVZAFIKPPRD-QHCPKHFHSA-N 407.470 2.823 0 50 HFAA COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(OC)c1OC 4386316 YACMFAATTMTIHT-UHFFFAOYSA-N 402.447 2.859 0 50 HFAA O=c1/c(=C/c2cc3c(cc2Br)OCO3)sc2nc3ccccc3n12 12360467 RNISURRMKVNZSM-UUASQNMZSA-N 401.241 2.948 0 50 HFAA COC(=O)CCCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12438285 BBYSPYHSEKAYEE-QFIPXVFZSA-N 406.498 2.992 0 50 HFAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](NCCc1ccncc1)C2 14535427 TYDYKQSQGDTJHA-IBGZPJMESA-N 407.493 2.574 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C(C)C 15019299 NJUUBFCAXLMJBG-UHFFFAOYSA-N 403.552 2.984 0 50 HFAA CCN(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1)S(C)(=O)=O 16652396 RKLUAMQJBIXAQV-UHFFFAOYSA-N 405.495 2.574 0 50 HFAA CC(=O)C1=NN(c2ccc(Br)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 18054522 CPPNKJORYDIDHX-RDJZCZTQSA-N 412.243 2.772 0 50 HFAA O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1cccnc1 40396680 FZGYDLPJFIQCLD-UHFFFAOYSA-N 400.373 2.629 0 50 HFAA COCc1nnc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)s1 61718869 GCPVZAIJSRLCSR-UHFFFAOYSA-N 407.455 2.700 0 50 HFAA CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)O)c3ccccc3)n2)cc1 71335571 HJYNJPZWTAKYDE-FQEVSTJZSA-N 409.467 2.574 0 50 HFAA CCCCOC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82137168 OKOCHTBUXZJAOQ-SFHVURJKSA-N 402.539 2.811 0 50 HFAA Cc1ccccc1OCC(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91656995 QCXUERRZAVKRKB-IBGZPJMESA-N 400.519 2.784 0 50 HFAA COc1ccccc1-c1ncc(CN2CCN(C)[C@@]3(CCNC(=O)CC3)C2)s1 95382410 WWAAVUKTPVIFRT-NRFANRHFSA-N 400.548 2.605 0 50 HFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(c1nc(-c3ccccc3)no1)CC2 95511184 MQQDGWAHCLYGCO-UHFFFAOYSA-N 404.474 2.750 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(OC)c(F)c4)nnc23)n1 169776038 VWVHXECWCFFJCO-UHFFFAOYSA-N 410.409 2.810 0 50 HFAA CCCc1noc(-c2cn(C3CCN(C(=O)Cc4cccc(OC)c4)CC3)nn2)n1 169777513 YCXIJBOJSDKPLQ-UHFFFAOYSA-N 410.478 2.695 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc(SC)c3)C2=O)cc1 206237341 ODERJGYLSUDBTR-GOSISDBHSA-N 413.499 2.909 0 50 HFAA COc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1 248122419 FSUBVHAIWLBSEJ-UXHICEINSA-N 423.469 2.500 0 50 HFAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(C1Cc3ccccc3C1)CCO2 299756132 CVRUHZMGQKCCPZ-HSZRJFAPSA-N 405.542 2.759 0 50 HFAA NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H](CCO)C2CCOCC2)cc1 461917030 IWJBBSXWVTUNGT-IBGZPJMESA-N 413.474 2.877 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)c1ccc(Cn2nnnc2C)cc1 670434177 RNDJCADICZMWMR-UHFFFAOYSA-N 419.464 2.901 0 50 HFAA COc1ccc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(CN(C)C)C2)cc1Cl 1772707551 UYLJYACEUHSCIA-VGSWGCGISA-N 419.953 2.611 0 50 HFAA CCO[C@H]1C[C@H](NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2 1875330528 SDRWBSOLNQHGGT-KBPBESRZSA-N 401.429 2.942 0 50 HFAA O=C(NCc1cc(-c2ccccn2)no1)c1cc2c(s1)CCOC21CCNCC1 2356142864 LAZIWZINDLBNTP-UHFFFAOYSA-N 410.499 2.880 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCN2CCCCCC2=O)CC1 2356169690 VXOIDHMWCLBGTN-UHFFFAOYSA-N 400.519 2.878 0 50 HFAA CC(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O 799663 NQPRJKUGABBPBE-FQEVSTJZSA-N 407.470 2.783 0 50 HFAA Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1201013 RWQPDHIOAKDMAG-UHFFFAOYSA-N 408.907 2.560 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccco1 4502419 CZEBHTBYCIDWOZ-UHFFFAOYSA-N 412.895 2.803 0 50 HFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 11784684 UPDMWDNAPQRAFT-QAPCUYQASA-N 414.893 2.882 0 50 HFAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1c(OC)cccc1OC)CC2)C(C)C 12037319 OYABREOZZOYDOQ-OAQYLSRUSA-N 415.538 2.577 0 50 HFAA CCN(CC)C[C@@H](O)COc1ccc(CNCCc2nc(C)cc(C)n2)cc1OC 12205300 ZCMLMUJEZOIGAX-HXUWFJFHSA-N 416.566 2.516 0 50 HFAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@H]1COCCO1)N1CCCCCCC1 12299975 HEJDAJVJNLMUEN-KRWDZBQOSA-N 420.941 2.899 0 50 HFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccnc(-n3cnnn3)c2)c1C 12758965 AQUWCFLGWJEORA-GOSISDBHSA-N 414.473 2.667 0 50 HFAA COCCNC(=O)c1cccc(OC2CCN(Cc3cccc4c3OCO4)CC2)c1 14973696 RMYDDXIGBIGUBX-UHFFFAOYSA-N 412.486 2.835 0 50 HFAA COc1cccc(NC(=O)CN2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 20407859 PZRBIQNPFXFGCO-UHFFFAOYSA-N 421.497 2.866 0 50 HFAA COC(=O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1 64859191 HYOHKXGCEWCBKE-IZWODODVSA-N 404.503 2.630 0 50 HFAA in-vitro COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67604240 IUHLJPHWGFTVJY-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(C)cc1 225515239 VPMSTZHOENSLII-IBGZPJMESA-N 401.488 2.691 0 50 HFAA Cc1[nH]ncc1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263588885 ZLUJCYVYRQDIOV-SFHVURJKSA-N 411.506 2.962 0 50 HFAA COC(=O)c1ccc(NC(=O)NCCn2c(O)nc3ccccc32)c(OC(F)F)c1 428901987 ODETVDVCCBTWQN-UHFFFAOYSA-N 420.372 2.952 0 50 HFAA O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1c[nH]c2cccc(F)c12 477496615 BGXSBZMQUGMXGC-UHFFFAOYSA-N 401.463 2.908 0 50 HFAA COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21)Cc1cccc2ccccc12 1293297748 UEUNBUXRFXOIGT-PDGJWGCVSA-N 422.525 2.983 0 50 HFAA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1529102130 XTFNINHAAWSKHS-IFMALSPDSA-N 407.514 2.616 0 50 HFAA CCOCCn1nc([C@@H](C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857667341 AMXISJHUVSFFNP-CQSZACIVSA-N 400.483 2.597 0 50 HFAA Cn1c(=O)c(-c2nccn2CC[C@@H]2CCCCN2S(C)(=O)=O)cc2ccccc21 1857692273 WXFBNGMHAQZFRP-KRWDZBQOSA-N 414.531 2.606 0 50 HFAA CN1C(=O)NC[C@H]1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1875343084 PIBJJHPTCQIMNX-VQTJNVASSA-N 412.921 2.597 0 50 HFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1ccc(Oc2ccc(Br)cn2)cc1 2325819039 OSZHAZQYGLDWTF-UKRRQHHQSA-N 402.248 2.739 0 50 HFAA COc1cccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1C 2356155742 LKXUYIXNVPBJOB-PMAPCBKXSA-N 400.519 2.904 0 50 HFAA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)n2nnnc2N1 646468 JHMBARYIEQUXDS-QGZVFWFLSA-N 410.821 2.983 0 50 HFAA CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 663906 HQOBFNHXCRBDFY-UHFFFAOYSA-N 415.515 2.993 0 50 HFAA CCOC(=O)CC(=O)Nc1c(Br)cc(Br)cc1C(=O)O 1225578 LGESPLVFGQXPFL-UHFFFAOYSA-N 409.030 2.802 0 50 HFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 2023914 WMQZGOXHDRFOHC-UHFFFAOYSA-N 405.403 2.769 0 50 HFAA biogenic Cc1nc2sccn2c1CN1CCC2(CC[C@@H](CNC(=O)[C@@H]3CCCO3)O2)CC1 11963986 CYHMBBRZRSGWOO-WMZOPIPTSA-N 418.563 2.513 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3csnn3)C2)c(OC)c1 12708136 BPGWBUDFHKUWCJ-AWEZNQCLSA-N 418.519 2.504 0 50 HFAA COc1cc(CN(Cc2cccnc2)C(=O)Cn2cccn2)ccc1O[C@H]1CCOC1 14996142 INFHHKJRTQIQAL-FQEVSTJZSA-N 422.485 2.683 0 50 HFAA CC(=O)N1CCC[C@@]1(Cc1ccc(S(C)(=O)=O)cc1)C(=O)OCc1ccccc1 49087751 XFXZWVGQXNFWDE-JOCHJYFZSA-N 415.511 2.757 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1F 169780956 WTCIPRQWYKPVPI-CQSZACIVSA-N 412.425 2.831 0 50 HFAA COc1cccc(N2CCN(Cc3c(O)occ(CN4CCCCC4)c3=O)CC2)c1 252479814 BNDFXDWQVAIBNT-UHFFFAOYSA-N 413.518 2.662 0 50 HFAA COc1cccc2c1N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC[C@H]2C 253370456 RCTKQZANLFFIKB-AEFFLSMTSA-N 420.575 2.967 0 50 HFAA CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1CN(CCO)Cc1ccccc1 299794694 MRPUPCINZDIFPY-UHFFFAOYSA-N 419.485 2.920 0 50 HFAA CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CC3(CCCC3)C2)c1 428305519 LFOPXUOFIZJSAY-UHFFFAOYSA-N 405.564 2.943 0 50 HFAA COCC(=O)N1CCC(C(=O)Nc2cc(NC(=O)C3CCCC3)ccc2C)CC1 952982842 RGXNAUVPAUJZND-UHFFFAOYSA-N 401.507 2.947 0 50 HFAA COCCc1noc([C@@H](C)NS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)n1 1506397527 VWIIQIUMBJGFOI-SNVBAGLBSA-N 412.493 2.631 0 50 HFAA CC1=C(CCN2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@]3(CO)C2)C(C)(C)CCC1 1772812349 GJCKFRUJQPTYMA-JPYJTQIMSA-N 400.567 2.703 0 50 HFAA COc1ccc(F)cc1C(=O)NC1(CNC(=O)C[C@H](O)c2ccccc2)CCC1 1875344363 IIDBDHDKGGBJEN-SFHVURJKSA-N 400.450 2.727 0 50 HFAA NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cnc(-c2ccc(F)cc2)s1 2325879198 LWKQUOFMBGKNKW-INIZCTEOSA-N 417.487 2.550 0 50 HFAA COCCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 2995418 TZTBNPMBKQZXLY-UHFFFAOYSA-N 424.950 2.992 0 50 HFAA Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@H]43)n2)cc1 4594097 TZMMNMNLKAIQRX-TZIWHRDSSA-N 402.502 2.791 0 50 HFAA CCOc1ccccc1OCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 4788730 DWHDFGBUPZZDJE-UHFFFAOYSA-N 404.488 2.569 0 50 HFAA CCN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2OC)cc(-n2cnnn2)c1 12128953 ZUIYHSKAUYDGQU-UHFFFAOYSA-N 411.462 2.837 0 50 HFAA CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)on1 19781829 ACPXZWJGLMJETA-GFCCVEGCSA-N 400.464 2.657 0 50 HFAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)cc1 20489573 YSDLZOMSFBIHFL-UHFFFAOYSA-N 407.923 2.837 0 50 HFAA O=C(NCc1cccnc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 33260375 VNZGNDCNDIQOHU-UHFFFAOYSA-N 413.485 2.719 0 50 HFAA Cc1c(Cl)cccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 35802439 WIRPUGXGOALCRH-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA O=C(NCCc1cccs1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 40266603 VVADNKLLTUGOGY-GFCCVEGCSA-N 424.452 2.780 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2OC)n1C[C@@H]1CCCO1 55099607 DWJJOYVMLBPUIY-IBGZPJMESA-N 421.563 2.886 0 50 HFAA CC(C)c1ccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)cc1 67740045 GZZDZQFCPXFKRF-QHCPKHFHSA-N 406.486 2.792 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1OC 72158031 KKQFPSJKLPDLOP-HSZRJFAPSA-N 409.486 2.754 0 50 HFAA CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CC1 225399593 SCVXSFKSTHWECO-UHFFFAOYSA-N 401.532 2.678 0 50 HFAA CCOC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@@]23C=C[C@H]1O3 226710140 OLZRPHJNCWOXLH-NFYRJLKCSA-N 406.276 2.855 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(OC)cc1 252346804 DOMWJOMKBNBKDW-KNXBSLHKSA-N 409.530 2.557 0 50 HFAA Oc1c([C@@H](c2ccc(Br)s2)N2CCOCC2)sc2ncnn12 252485552 GYPUPAVUNLXRJZ-SNVBAGLBSA-N 401.311 2.742 0 50 HFAA CN([C@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 253415564 ILWVQYQKOJFUDW-NRFANRHFSA-N 414.483 2.677 0 50 HFAA CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCCS1)C(=O)[C@H]1CCCS1 408518047 SJHAVQJMVTWJOL-MSOLQXFVSA-N 413.653 2.551 0 50 HFAA Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4cccc(F)c34)CC2)cc1 477522207 SKBBSLRXDHCMOG-UHFFFAOYSA-N 415.490 2.691 0 50 HFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 491996504 GVPZUPJFNSAVMH-QKLQHJQFSA-N 421.497 2.955 0 50 HFAA C[C@H](CCNC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O)N(C)C 1857530970 JIKITMUSEKMSIZ-CZUORRHYSA-N 411.344 2.584 0 50 HFAA O=C(NCC[C@H]1COc2ccccc2O1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 1875261222 OFFHKXOJJKDSPA-ROUUACIJSA-N 421.501 2.924 0 50 HFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCc3ccccc3CC1)CO2 2100556748 GTAQSTDCXABYHB-FQEVSTJZSA-N 407.514 2.603 0 50 HFAA CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](c3cn(C)c4ccccc34)C2)c1 2325708351 YTWPSFLJKBPSQC-HXUWFJFHSA-N 418.541 2.872 0 50 HFAA CN(C(=O)CN1C[C@@H](C(F)(F)F)CCC1=O)c1ncc(Br)s1 2325825695 ZKBCZZIHRUMPGO-ZETCQYMHSA-N 400.220 2.669 0 50 HFAA O=S(=O)(c1ccc(Cc2nc(-c3ccc(CO)cc3)no2)cc1)N1CCCCC1 2325849956 GZENWHUVYUWHSR-UHFFFAOYSA-N 413.499 2.994 0 50 HFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356158080 CCAMGRMYVAVZQU-NRFANRHFSA-N 412.559 2.743 0 50 HFAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2Cc1cccc2ccccc12 796289 FIIFGSDNNJBLEA-UHFFFAOYSA-N 401.426 2.830 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 5676542 OXUYQRCEHLUZJH-UHFFFAOYSA-N 408.907 2.779 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697490 UZTZVRPAXDTTFM-UHFFFAOYSA-N 404.474 2.976 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ocnc3C)C2)c(OC)c1 11762130 VPOJUGADOCPOGY-MRXNPFEDSA-N 415.490 2.949 0 50 HFAA CCCN1C(=O)C[C@H](C(=O)OC)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2 11882257 OIRSLISSIRHCKT-DUMMIQTOSA-N 416.518 2.680 0 50 HFAA COCCNC(=O)c1cccc(OC2CCN([C@H](C)CCn3cccn3)CC2)c1 12076327 CKMDNKKWHHFTAJ-GOSISDBHSA-N 400.523 2.581 0 50 HFAA COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CCNCc2ccc(F)cc2)c1 14879591 MNZSNZZTGRBAQX-WOJBJXKFSA-N 416.493 2.745 0 50 HFAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)c3snnc3C)C1)CC2 14956767 BVPGXDULROOSME-INIZCTEOSA-N 402.520 2.527 0 50 HFAA O=C(NCc1cc(-c2ccccc2)[nH]n1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 15007466 LUQSSTUMAGNQHO-OAQYLSRUSA-N 404.426 2.809 0 50 HFAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)n2)n1 40267640 USIPWBKCQLTAGI-UHFFFAOYSA-N 405.502 2.527 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1 72151928 NJWFRQQWOTVIRR-QFIPXVFZSA-N 403.482 2.954 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCC[C@@H](OC)C2)c1 76996778 JJSVABVQEQOCDE-LJQANCHMSA-N 416.518 2.726 0 50 HFAA O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95501983 ULYHTTVTZHVCAL-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@H]3COc4ccccc4O3)CCC2)cc1 140055586 ZGERZSABLWOGRP-INIZCTEOSA-N 401.484 2.648 0 50 HFAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)cc1F 169779861 GRZRKDSAYCSHIG-UHFFFAOYSA-N 402.401 2.640 0 50 HFAA COc1ccc(-c2nc(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)cs2)cc1OC 170602675 DYWGJFWLGLDYTD-AWEZNQCLSA-N 419.547 2.745 0 50 HFAA O=C(c1ncn2c1CO[C@@H](c1ccccc1)C2)N1CCC(C(=O)N2CCCC2)CC1 263615274 BNSFECOTKSXIPL-HXUWFJFHSA-N 408.502 2.629 0 50 HFAA CCCc1c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cnn1-c1cccc(C)c1 435806502 DFJVFALIQGQVGI-FQEVSTJZSA-N 410.518 2.643 0 50 HFAA Cc1ccc([C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H](C)S(C)(=O)=O)cc1 436349278 CDKVQIZWALLTLF-GXTWGEPZSA-N 410.565 2.862 0 50 HFAA NC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](C(N)=O)c3ccc(F)cc3)cc2)cc1 464321082 OSTUJSCOQLHWGT-IBGZPJMESA-N 407.401 2.673 0 50 HFAA CCC(=O)N[C@H](C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 475355977 RLCQQXIJGPCZHN-APWZRJJASA-N 424.419 2.829 0 50 HFAA CON(C)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1 763255494 KTGCYLGIGKKQKT-UHFFFAOYSA-N 404.517 2.630 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 952970556 LIJWNWSUQYDOJM-MRXNPFEDSA-N 400.504 2.987 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O 1506421353 HMFPIEQGJLBMOM-LJQANCHMSA-N 404.470 2.927 0 50 HFAA O=C(O)C(CCCN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)C(=O)O 1704314095 OBXHWJUQTXNKQM-HSZRJFAPSA-N 409.486 2.989 0 50 HFAA NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)Nc1cccc2c1OCCC2 1875347917 WCHQLANEMLQBKT-SFHVURJKSA-N 401.507 2.671 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1875369393 LNKGQVTYYLAJNO-UHFFFAOYSA-N 419.547 2.533 0 50 HFAA NCc1nc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)co1 2356147095 HRNLOUYFXDMZFF-UMGGQSCQSA-N 414.550 2.945 0 50 HFAA COC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccccc1SC 2862357 DZOYRMNMNAUVMU-UHFFFAOYSA-N 421.529 2.963 0 50 HFAA O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCc1ccccc1 6901368 ZGPNXPUAIKEDEN-UHFFFAOYSA-N 411.527 2.785 0 50 HFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)cc(OC)c3)C2)nn1 12040875 UOJQDHKVMUXNFE-QGZVFWFLSA-N 401.511 2.614 0 50 HFAA COC(=O)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)nc1 12385703 YBBGABWFIMYRNS-NRFANRHFSA-N 404.413 2.604 0 50 HFAA COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1OC 12444964 FSAAFPOEZRFJRD-HNNXBMFYSA-N 414.506 2.833 0 50 HFAA CC[C@@H](C)CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 14974052 KYIHFDIGCJSYBU-CYBMUJFWSA-N 402.944 2.919 0 50 HFAA CN(Cc1cccc2cnccc12)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 15070792 QEEIEVFSVKOMGW-LJQANCHMSA-N 414.531 2.646 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3ccc(Cl)cc3)nn2)nc1 72139298 FQKZWPIQHQMOPD-UHFFFAOYSA-N 418.910 2.967 0 50 HFAA Cc1ccc(S(=O)(=O)n2ccc(C(=O)CN3C(=O)c4ccccc4C3=O)c2)cc1 95495566 MXRTYTAKNOBARQ-UHFFFAOYSA-N 408.435 2.512 0 50 HFAA CC1(C)Cc2cccc(S(=O)(=O)N3CCCn4ncc(Br)c43)c2O1 225395206 KVNXCJNVCPTFGN-UHFFFAOYSA-N 412.309 2.958 0 50 HFAA CCOc1cc2c(c3[nH]c(C(=O)N(CC)[C@H]4CCS(=O)(=O)C4)cc13)O[C@H](C)C2 225534262 SVRCBUKYLNRBSY-OCCSQVGLSA-N 406.504 2.539 0 50 HFAA O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(OC[C@H]2CCCO2)cc1 225564449 GYXXAPHROUXCHU-LJQANCHMSA-N 422.489 2.669 0 50 HFAA O=C(OCC(=O)N1CCCCCC1)c1cccc(NS(=O)(=O)C(F)(F)F)c1 225572359 LNLASJVNXIGYGY-UHFFFAOYSA-N 408.398 2.508 0 50 HFAA COc1ccc(-c2cc(=NC(=O)c3cccs3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334157992 GZGDFAAEQDVLDB-AWEZNQCLSA-N 417.512 2.654 0 50 HFAA CC(C)Cn1nc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c2ccccc2c1=O 468621642 NCJCFVRRMKHCEQ-OAHLLOKOSA-N 409.490 2.932 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCC(CN4CCN(C)CC4)CC1)(C3)C2 1506421748 MLWXKSJZBHWMPX-GNLZIIPMSA-N 403.611 2.584 0 50 HFAA CC(C)[C@@H](NC(=O)C(=O)N(CCO)CCc1ccccc1)c1ccc(F)c(F)c1 1875259261 XEGQUKNVCZTLIM-HXUWFJFHSA-N 404.457 2.842 0 50 HFAA Cc1cccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C(=O)O)c1 2325851921 MTPKZCLQAOMQIT-YLJYHZDGSA-N 420.469 2.666 0 50 HFAA Cc1cccc2c(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4NC(=O)/C=C/C(=O)N(C)C)cccc12 2325872553 CWQHSZHUSTVNSS-CFSAEFTGSA-N 405.498 2.512 0 50 HFAA O=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)N[C@@H](C(=O)O)[C@H](O)c1cccnc1 2325875835 CUGLMCVTUHJSPI-IAGOWNOFSA-N 408.376 2.825 0 50 HFAA Cc1ccc(CN(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 788219 WMWASYOLTURLLF-UHFFFAOYSA-N 422.934 2.698 0 50 HFAA O=C(NCc1ccncc1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 4626012 ILZSXEMBRWPXFO-UHFFFAOYSA-N 402.336 2.811 0 50 HFAA COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 4820390 GBVBRKKWKFEIER-KRWDZBQOSA-N 420.506 2.594 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCCn1cccn1 12429912 OZRGHZWTKIBOSU-UHFFFAOYSA-N 402.502 2.983 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(Cl)cc1)C2 14535131 KQWXXHLBFMUGOS-INIZCTEOSA-N 404.967 2.910 0 50 HFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 15390527 RCYAAFSDRBIZBJ-INIZCTEOSA-N 422.934 2.949 0 50 HFAA Cc1cc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 19363100 GVDQCPYQKSHJSN-GOSISDBHSA-N 418.921 2.935 0 50 HFAA CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)cc1 19744830 MIIFBBWZSATLIT-HXUWFJFHSA-N 413.566 2.749 0 50 HFAA CCn1ncc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C 22932753 QNXUMGVJSSUNNF-QFIPXVFZSA-N 400.567 2.906 0 50 HFAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4C)n3)c(C)n2)CC1 36235724 VEGBIJUWDUJQNX-UHFFFAOYSA-N 405.506 2.729 0 50 HFAA CC(=O)C1=NN(c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100573251 CPPNKJORYDIDHX-NVXWUHKLSA-N 412.243 2.772 0 50 HFAA Cc1cccc(OC2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 223238913 ANTFOSDIGJJTTD-QFIPXVFZSA-N 402.491 2.659 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)CC3 491491271 DCJDQLRMYVLMAY-GYCJOSAFSA-N 416.481 2.818 0 50 HFAA COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888088524 DPJPEVLNBKNKJW-OAHLLOKOSA-N 417.412 2.801 0 50 HFAA O=C1CCN(C(=O)C(F)=C2CCCC2)CCN(c2nc3cc(F)ccc3o2)CCN1 952879862 LNLTVBVAZKVKTK-UHFFFAOYSA-N 418.444 2.919 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1cn(CC[C@H]2CCCCN2)nn1 952973061 XHNFDOOKAMVRHW-MRXNPFEDSA-N 407.478 2.534 0 50 HFAA CC(C)CCc1nc(CCCn2cnc3ccccc3c2=O)n(-c2cnn(C)c2)n1 1772819305 HZDXGVRYZMISCV-UHFFFAOYSA-N 405.506 2.932 0 50 HFAA Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C(=O)C[C@H]2CCNC2=O)c(C)c1 1875334819 GNZQEIFZACCAEE-CTNGQTDRSA-N 407.514 2.759 0 50 HFAA CN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1c2cccc(O)c2C[C@H]1C(=O)O 2325898534 JGVGHKRQYCXAOO-MJGOQNOKSA-N 409.442 2.746 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C 1060659 QZVJAKHQLBTWAQ-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2OC)n2ncnc2N1 1068125 IQMHQLDTZQIQQI-INIZCTEOSA-N 402.451 2.936 0 50 HFAA Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 1165274 DRKKCBWWDUYYQG-UHFFFAOYSA-N 400.913 2.927 0 50 HFAA COc1cc(CN(CCO)C(C)C)ccc1OC[C@@H](O)CN1CCCCCCC1 12056840 NMHLFBMCTZWZDS-NRFANRHFSA-N 408.583 2.904 0 50 HFAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCC[C@@H](CO)C1 12317800 NXBQPOFDKSGWOR-GOSISDBHSA-N 412.559 2.915 0 50 HFAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)Cc2nonc2C)CC1 12429877 OKYUAGZZOGBDOC-UHFFFAOYSA-N 401.463 2.562 0 50 HFAA COc1cccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c1OC 12456102 DUBQAFBJGGQUSD-GOSISDBHSA-N 415.538 2.878 0 50 HFAA CCN(CC)CCN(CC)C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12577265 RKYJTMJPZRFAEI-UHFFFAOYSA-N 418.538 2.801 0 50 HFAA COc1ccc(CCn2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)cc1OC 13733692 OLMAQJKMLGJCND-UHFFFAOYSA-N 419.363 2.718 0 50 HFAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN1CCOCC1 15064478 SMCJLNGYRMPHFK-FQEVSTJZSA-N 420.937 2.710 0 50 HFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCCN(c2ccccn2)C1 19146571 YCJBFFYUDXTPBD-MOPGFXCFSA-N 415.497 2.875 0 50 HFAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)n[nH]1 20537471 KBDXJIPKGQHJAS-OAQYLSRUSA-N 423.561 2.695 0 50 HFAA O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)C1(N2CCOCC2)CCCCC1 23128716 CJNBIFVFABOBLD-LJQANCHMSA-N 422.529 2.598 0 50 HFAA Cc1ccccc1CNC(=O)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773451 KZTWZQGMIYZRQI-UHFFFAOYSA-N 407.470 2.526 0 50 HFAA COc1ccc(-c2nc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)cs2)cc1OC 170602674 DYWGJFWLGLDYTD-CQSZACIVSA-N 419.547 2.745 0 50 HFAA COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c(OC)c1 170612528 OVHJGQCTVWWYTL-LJQANCHMSA-N 417.487 2.773 0 50 HFAA O=C(Nc1cc(NC(=O)[C@H]2CCCOC2)nc(-c2ccccc2)n1)[C@H]1CCCOC1 253426913 JDBKXBCQENLQQN-IRXDYDNUSA-N 410.474 2.874 0 50 HFAA Cc1nnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c2ccccc12 299797298 NIHVMLDMIKCPIG-HXUWFJFHSA-N 423.561 2.700 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 328605452 NSUDEHCXOFNJKX-HXUWFJFHSA-N 419.529 2.590 0 50 HFAA COc1cc2c(cc1CN1CCC[C@H](CNC(=O)c3c(C)noc3C)C1)OCO2 824619474 JNMUGOBDSJUJQK-OAHLLOKOSA-N 401.463 2.671 0 50 HFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC(=O)N(c2nccs2)C1 1177334758 AASZFGJQJUMJBF-LLVKDONJSA-N 403.895 2.775 0 50 HFAA Cc1ccc(F)cc1CN1CCC2(CC1)CN(Cc1nccn1C)C[C@H]2C(=O)O 1857703310 YSINIJRKAQLJSH-IBGZPJMESA-N 400.498 2.666 0 50 HFAA COc1cc(C)ccc1C(=O)NC[C@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@]23CC[C@H]1O3 1857736927 WQDSTOODEAKSES-RTXPOLOASA-N 410.470 2.646 0 50 HFAA Cc1cccc(OCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 779592 MROIQGORONZJRL-UHFFFAOYSA-N 402.878 2.777 0 50 HFAA O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 802883 BAUZMVVQXFFYKI-UHFFFAOYSA-N 414.439 2.782 0 50 HFAA CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Br)cc1 1065792 XZOJWWPXJOCSNF-UHFFFAOYSA-N 409.265 2.715 0 50 HFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1072770 DIPJDSZLSWKYBS-OAQYLSRUSA-N 411.527 2.988 0 50 HFAA CC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 4197172 DLYCOVWXCITMTN-UHFFFAOYSA-N 418.515 2.995 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1 4700440 XYNYUZDJIUXTAT-UHFFFAOYSA-N 406.460 2.707 0 50 HFAA Cc1c(C(=O)N2CCC(CO)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12191046 MZSIRHKARPNDMM-UHFFFAOYSA-N 417.513 2.971 0 50 HFAA CCOC(=O)c1sc(N(CC)C(=O)c2cc(-c3cnn(C)c3C)no2)nc1C 13641884 JXYAFZJFFVEWCN-UHFFFAOYSA-N 403.464 2.992 0 50 HFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CC3)C2)c1 14535153 AIQIHCHTYPOXCR-HSZRJFAPSA-N 422.525 2.904 0 50 HFAA COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(CC(C)C)C1 14741243 VSRKFXBOFTVKIJ-LEWJYISDSA-N 415.578 2.861 0 50 HFAA O=C(C1CCC1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 14882971 YAFAEDDHCDIIAH-QFIPXVFZSA-N 402.535 2.705 0 50 HFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 30866638 JCMADWMPIPPDTI-MRXNPFEDSA-N 408.506 2.674 0 50 HFAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@H](O)CN3CCOCC3)ccc12 32608488 IHQFKSNIOOZCCY-LJQANCHMSA-N 409.482 2.764 0 50 HFAA CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)C1CCSCC1 77288057 BWVCEANLIVAYOC-JYLXEMOASA-N 404.576 2.845 0 50 HFAA COc1ccc(-n2ccnc2CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 104294326 QPCMOGNIPRZGQL-JOCHJYFZSA-N 421.545 2.653 0 50 HFAA OCC[C@@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1Cc1ccccc1F 107100697 UGSQTLAHKRLBSK-OAQYLSRUSA-N 401.526 2.952 0 50 HFAA CCn1cc([C@H]2C[S@](=O)CCN2Cc2coc(-c3ccc(OC)cc3)n2)cn1 225412203 UTRRZYPNTAWSEF-WHLCRQNOSA-N 400.504 2.872 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 239310492 IMKXAEVDHUDFDQ-JPAWQOSXSA-N 406.475 2.638 0 50 HFAA CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)N1C[C@H](C)O[C@H](C)C1 252512609 SWLOFRKQOCEFLW-PJVZLEMVSA-N 411.587 2.882 0 50 HFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 253527795 AZCNJEFLSOQGST-CAGBHSFYSA-N 404.503 2.641 0 50 HFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 470405585 SZESIRPOTOQCMG-RPVQJOFSSA-N 420.435 2.729 0 50 HFAA CCc1c(C(=O)NCc2ccnc(-n3cccn3)c2)cnn1-c1ccc(OC)cc1 473742999 VPJWGSVHCHPRII-UHFFFAOYSA-N 402.458 2.954 0 50 HFAA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)n[nH]1 888088778 RCXYCMXFUWRGAL-SQGPQFPESA-N 424.549 2.944 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCc2ccc(F)cc2F)cc1OC 1529169288 TWIAPULZFOWWIY-IFMALSPDSA-N 421.440 2.876 0 50 HFAA O=C(O)CCc1nc2c(O)nc(SCc3c(F)cccc3Cl)nc2nc1O 1857529917 CYPVYFAFHYNCSD-UHFFFAOYSA-N 410.814 2.933 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(C)c(F)c2)C1 1857704879 JKQFRSSBMXIYOW-ZFGGDYGUSA-N 417.569 2.963 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CCC(n2cc(-c3cncs3)nn2)CC1 1875326183 DEQMHUYOVTXRAB-UHFFFAOYSA-N 411.487 2.896 0 50 HFAA CCOc1cccc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 2325723328 BQSWAEJMKCCCGV-AWEZNQCLSA-N 417.483 2.968 0 50 HFAA COCCn1nnnc1S[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 2325843589 JOTZADYZOVUEAK-CQSZACIVSA-N 415.441 2.622 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3cccc(OC)c3)C2)[C@@H]2CCCC(=O)N12 2356153336 BRJFWDGNXQXWSW-JSJNYSNDSA-N 406.548 2.885 0 50 HFAA COc1ccc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)cc1F 2356169175 VVFPRFFKYGUCNG-RTWAWAEBSA-N 400.450 2.828 0 50 HFAA CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 859510 BPUPDVZRALLMQJ-UHFFFAOYSA-N 422.890 2.816 0 50 HFAA CC(=O)Nc1ccc2cc(S(=O)(=O)O)cc(OS(=O)(=O)c3ccccc3)c2c1 3150558 LMRDZWKTAFERFJ-UHFFFAOYSA-N 421.452 2.813 0 50 HFAA COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 3826221 FEJVSJIALLTFRP-LJQANCHMSA-N 410.426 2.916 0 50 HFAA investigational COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 4833782 PPUGQVXXRSNFJR-MRXNPFEDSA-N 420.531 2.526 0 50 HFAA COc1cc(CC(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cc(OC)c1OC 11878551 AEJHWDHSQIPKPG-UHFFFAOYSA-N 418.534 2.896 0 50 HFAA COCc1ccc(C(=O)NCCc2nnc(SC)n2-c2ccc(OC)cc2)o1 12156764 AOURFENAAMVNRX-UHFFFAOYSA-N 402.476 2.710 0 50 HFAA O=C(NCc1cccs1)c1cn(CCNC(=O)c2ccccc2C(F)(F)F)nn1 12279687 QELJPGIQFOGOJV-UHFFFAOYSA-N 423.420 2.718 0 50 HFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2C)cc1 13728816 BNCVDVRELHDZBJ-UHFFFAOYSA-N 406.490 2.588 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(Cl)c1)C2 14539595 HDJVCYSUXNXYRF-MRXNPFEDSA-N 404.967 2.910 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2)CN1Cc1ccc(F)c(F)c1 14881461 OOOWPIXKFJXJCX-APWZRJJASA-N 406.404 2.579 0 50 HFAA COC(=O)[C@H]1CC(=O)N(C)C12CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)CC2 14960895 GPEKOQMQHFBKJC-QGZVFWFLSA-N 418.921 2.774 0 50 HFAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@H]1CC(=O)N1CCSCC1 14979286 KPDWXZUYUQLZSX-NRFANRHFSA-N 409.555 2.620 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)C1 16480446 QSYCNTMPHIJYFN-OLMNPRSZSA-N 406.504 2.713 0 50 HFAA COc1cccc(NC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCC3)c1 17082838 RJJXGAMSAURHML-UHFFFAOYSA-N 404.444 2.537 0 50 HFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCN(Cc3cc(F)cc(F)c3)CC1)C2 67562685 KTIQAMCOKQXNIS-GOSISDBHSA-N 418.488 2.945 0 50 HFAA CCOc1cc2c(cc1CN1CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C1)CCC2 95387665 ZCRCOWNYBOFDIU-NFBKMPQASA-N 401.551 2.514 0 50 HFAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCCCN1CCOCC1)C3 299765796 BIEBINPARUJMFM-KRWDZBQOSA-N 418.607 2.673 0 50 HFAA COc1cccc(SCC(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)c1 670473716 KIZGEKKEYUBKRS-UHFFFAOYSA-N 408.545 2.581 0 50 HFAA Cc1ccc(-c2cc(C(=O)N3CCC(CNC(=O)[C@@H]4CCCO4)CC3)n[nH]2)s1 1506412406 DFPSHIDKTDDYFY-KRWDZBQOSA-N 402.520 2.594 0 50 HFAA Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)c(Cl)cc1F 1506418950 VGKUZHRYVCYDFK-INIZCTEOSA-N 400.834 2.788 0 50 HFAA CCc1cc(N[C@@H]2CCCN(C(=O)c3cccs3)C2)nc(N2CCOCC2)n1 1529155397 RXRNTLWYJPLMJX-MRXNPFEDSA-N 401.536 2.654 0 50 HFAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC3CCCCC3)cc12 1857691979 JGVVMIVQZJLKDR-CQSZACIVSA-N 406.548 2.582 0 50 HFAA O=C(CCCn1cccn1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857700732 KTDCLWKTXLGOBG-QHCPKHFHSA-N 418.501 2.728 0 50 HFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857719802 VVWUWPIZCFWRFK-GMAHTHKFSA-N 409.461 2.644 0 50 HFAA O=C(c1ccc2ccnc(O)c2n1)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 1875350991 HLNBLRVZJLEBKI-CYBMUJFWSA-N 416.359 2.585 0 50 HFAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C)c3F)C2)CCC1=O 2325864075 FWZKZAOHEWQJOI-IRXDYDNUSA-N 403.498 2.504 0 50 HFAA CCc1c(C)cc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)c(=O)n1C 2356146525 JYGXCGHXLQRBOU-UHFFFAOYSA-N 410.514 2.969 0 50 HFAA NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 3873287 OWXORKPNCHJYOF-UHFFFAOYSA-N 402.480 2.703 0 50 HFAA in-vivo Cc1csc(CN(C)Cc2ccccc2OC[C@@H](O)CN2CCSCC2)n1 11878800 RRKHYGZMVAZJPC-SFHVURJKSA-N 407.605 2.872 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 12078569 UYONEWIEYWKRLJ-KRZKXXONSA-N 412.465 2.818 0 50 HFAA Cc1nn(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1I 12372204 DMHCSRNWCVPOIL-UHFFFAOYSA-N 424.198 2.932 0 50 HFAA Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(F)cc2)cc1 12461995 DMMSJGLDKIFRNY-UHFFFAOYSA-N 403.417 2.790 0 50 HFAA CCCN1CCN(C(=O)c2c(C)n(CCc3ccccc3OC)c(C)cc2=O)CC1 15002203 IEESKRAKKHWQCW-UHFFFAOYSA-N 411.546 2.884 0 50 HFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2nccn2C)CC1)c1ccccc1 15080274 KKUXJIPJTPSHMY-NRFANRHFSA-N 408.506 2.780 0 50 HFAA Cc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1C 65363230 GEELQAXZIAJVSB-UHFFFAOYSA-N 415.559 2.709 0 50 HFAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc(Cl)cc12 77394361 SGOGLQYUZQSGQH-UHFFFAOYSA-N 422.872 2.963 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccoc3)[C@H]4C2=O)c1 77458164 TVUXCICLSZWFAT-CIEVZJJWSA-N 406.482 2.837 0 50 HFAA CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 170636538 FVLRNGPGMMRJAP-BBRMVZONSA-N 412.870 2.947 0 50 HFAA COc1ccc([C@H](CNC(=O)CN2CCC[C@@H](O)C2)c2c[nH]c3ccccc23)cc1 229690348 SQLHTDDHMVXOGF-NQIIRXRSSA-N 407.514 2.881 0 50 HFAA CN1C(=O)C[C@@H](CNCc2cccc3c2OCO3)[C@@H]1c1cnn(Cc2ccccc2)c1 328607766 XAKHQYIGFBAUTB-WMZHIEFXSA-N 418.497 2.969 0 50 HFAA COC(=O)c1c(Br)ccc(NS(=O)(=O)c2cn(C)c(Cl)n2)c1C 792702120 MMUWGNICUHRDTO-UHFFFAOYSA-N 422.688 2.732 0 50 HFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCCc1nc(-c2cccnc2)no1 1506399962 RTERHILBGODSKD-FQEVSTJZSA-N 405.502 2.969 0 50 HFAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529191741 FCLAFERISRKQRQ-DHIUTWEWSA-N 422.525 2.808 0 50 HFAA Cc1cc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)c2ncccc2c1 1704312996 DEKGFHZOUIZDAG-NRFANRHFSA-N 409.515 2.584 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccc(Cl)cn1)C2 1857691779 XPADQHWESOYKIH-HGHGUNKESA-N 407.942 2.996 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCc4cccnc4)CC3=O)sc2c1 1857714271 XSDLHJRTEUKHAQ-HNNXBMFYSA-N 410.499 2.802 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(C(=O)c3ccco3)C[C@]23CC[C@H]1O3)c1cccc2cc[nH]c12 1857715402 PSXJUAGSPYZVCR-PMECCGAFSA-N 405.454 2.811 0 50 HFAA O=C(CCn1cnc2ccccc21)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857739999 CYQSDFZVTULXKK-IMSXRSKXSA-N 416.481 2.727 0 50 HFAA CCC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2ccon2)C1 1875242070 MAYUMAPKMAVCCG-QHCPKHFHSA-N 418.501 2.777 0 50 HFAA C[C@H](OC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1nnnn1C1CC1 1875262735 GYIICSLCAJSESR-ZDUSSCGKSA-N 420.425 2.928 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 1875371830 MVBQGVQZNQAAKM-WBVHZDCISA-N 407.308 2.774 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(c2cccc(Br)c2)=NO1 814969 UHEQYUBAQCODRU-KRWDZBQOSA-N 403.232 2.987 0 50 HFAA COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 2883240 NBRQZZAWIBLOGH-UHFFFAOYSA-N 412.895 2.758 0 50 HFAA COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCOCC1 3482800 JSIYLIYRPWOVSG-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)CC2=O)cc1 4973383 FUHQHVQIHIVTRB-SFHVURJKSA-N 406.486 2.620 0 50 HFAA COc1ccc(CC2=NO[C@H](C(=O)N3CCC([C@H](O)c4ccccn4)CC3)C2)cc1 11911479 KETIVIQHSBBSOO-VXKWHMMOSA-N 409.486 2.750 0 50 HFAA O=C(c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1)N1CCCc2ccccc21 12003486 OUQPDJURDDFKCC-UHFFFAOYSA-N 404.875 3.000 0 50 HFAA O=C1CC[C@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CN1Cc1ccccc1F 12431158 DDJIEZFUBFIKFM-FQEVSTJZSA-N 424.520 2.694 0 50 HFAA Cc1cccnc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 55042270 KYUIQQBXEWUPAP-LJQANCHMSA-N 418.563 2.581 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(-n2ccnc2)n1 67603918 ONTWMJWYSUXMGV-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCC1)CC2 77287085 HPZPXRKNXFVOKP-UHFFFAOYSA-N 405.545 2.649 0 50 HFAA CN1CCC(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)(N(C)C)CC1 91305355 IBAPTGSOTYAJBR-JOCHJYFZSA-N 401.551 2.613 0 50 HFAA Cc1scnc1C(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 96161715 MJIFXXKMBWLBDY-UHFFFAOYSA-N 402.568 2.976 0 50 HFAA CCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(-c2ccccc2)n1 169752739 NIPIVOSQCOJLNE-UHFFFAOYSA-N 420.488 2.961 0 50 HFAA Cc1cc(Br)ccc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 169772613 AKUQMCLCZAAXIO-OAHLLOKOSA-N 402.248 2.837 0 50 HFAA O[C@@H](COc1cccc(CN[C@H]2CC[C@H](O)CC2)c1)CN1CCc2ccccc2C1 257372178 AFDUEMCVGTXIPA-WXFUMESZSA-N 410.558 2.878 0 50 HFAA O=C(NCCn1ncc2ccccc2c1=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 952980431 WRLUIRQGPUPYDE-OAQYLSRUSA-N 408.477 2.879 0 50 HFAA O=C(N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1)C1(N2CCOCC2)CCCCC1 1704351723 QXRFHFYOYCKJLY-OFNKIYASSA-N 423.557 2.632 0 50 HFAA CCCC[C@@H]1CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C[C@H](C(C)C)O1 1857739440 JZKLNUPSMHOKMG-SJLPKXTDSA-N 422.547 2.663 0 50 HFAA CC(C)(C)OC(=O)N[C@H](CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)C1CCOCC1 1875306260 YNFRHAHGQSKUHQ-CTWQGKMFSA-N 410.555 2.754 0 50 HFAA CC(C)(C)OC(=O)NOCCCNC(=O)c1nc(Br)n2ccccc12 1875334755 CSZKVRRAQSKDLM-UHFFFAOYSA-N 413.272 2.673 0 50 HFAA CCc1cc(=O)n2nc(N(C)CCc3ccc(O)c(Br)c3)sc2n1 2325825476 QZDUGXLKSJLBAU-UHFFFAOYSA-N 409.309 2.860 0 50 HFAA C[C@H](C1CC1)N1C[C@@H](C(=O)Nc2nc3cc(Br)ccc3n2C)CC1=O 2325826658 ITLGISCYTGDMNT-PWSUYJOCSA-N 405.296 2.921 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 982912 QHLDTJYCCPMWNO-UHFFFAOYSA-N 404.488 2.706 0 50 HFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1C 4809463 OERGSYKBKPDPPB-UHFFFAOYSA-N 401.532 2.800 0 50 HFAA Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 4943985 RMXXHKMUBXGLMC-UHFFFAOYSA-N 416.499 2.828 0 50 HFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)cc4)n3)CC2)c1 9009821 PVFIHSOHSZWPFP-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA CC(C)CCn1c(CN(C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C 11663731 KFEYPUIIULSUOH-QGZVFWFLSA-N 412.600 2.600 0 50 HFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCC2CCCCC2)c1 11817034 WLOWFPONAZJCGD-NRFANRHFSA-N 406.567 2.562 0 50 HFAA CCOC(=O)CCNC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(OC)cc2)C1 12111972 QJGAPZKYIHUYAY-IBGZPJMESA-N 405.539 2.544 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1 12307229 PMDGMXVXLUPTJH-INIZCTEOSA-N 406.552 2.732 0 50 HFAA C[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380920 PTBGZHSYSGOFSN-LBPRGKRZSA-N 410.879 2.904 0 50 HFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@@H]2COCCO2)c1 12387086 MEMKTVRNLIXEEE-HXUWFJFHSA-N 418.534 2.626 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(N[C@H](C)CC(C)(C)OC)cc12 14540278 MONNXPPNZDJBSV-GFCCVEGCSA-N 406.483 2.560 0 50 HFAA Cc1nc(C)c(CC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 14962171 DOVNUVBDYQKQNI-CQSZACIVSA-N 413.590 2.581 0 50 HFAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC[C@H](c2nncn2C)C1 14987362 ADLVNKOJMIHGNP-INIZCTEOSA-N 424.505 2.566 0 50 HFAA CC[C@@H](C)C(=O)N1CCc2c(c(C(=O)NC3CC3)nn2CCc2ccc(OC)cc2)C1 20204117 ANCDMVBIRNNNLK-MRXNPFEDSA-N 424.545 2.957 0 50 HFAA CO[C@@H](C)c1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c1 71764341 BAVAEOODMADBSR-AWEZNQCLSA-N 405.472 2.780 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c(C)c1 72441249 OFZIVFBYGBMCTI-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(CCCN(C)CC(C)C)C(=O)O2 72468011 FFEXPUBWLXDDKQ-UHFFFAOYSA-N 406.527 2.696 0 50 HFAA C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NCc1ccco1 109325399 XJUQMKZVPAOGRQ-HNNXBMFYSA-N 421.432 2.830 0 50 HFAA CC[C@@H]1CN(CC(C)(C)O)[C@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 170607314 AYBBIUXAAWOESG-QZTJIDSGSA-N 407.555 2.588 0 50 HFAA COc1ccccc1CC(=O)N1CCC(NC(=O)c2nc3cccnc3s2)CC1 170615529 UMWHKRQALLRGQO-UHFFFAOYSA-N 410.499 2.663 0 50 HFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1 206237252 IJLASHUFPCAWPE-LJQANCHMSA-N 420.469 2.679 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 248290169 KURCBZOGMNUATP-ZWKOTPCHSA-N 404.507 2.785 0 50 HFAA CN1CCN([C@@H](c2ccccc2OC(F)(F)F)c2sc3ncnn3c2O)CC1 252497047 PXXVXFXDYKMCFD-ZDUSSCGKSA-N 413.425 2.732 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 257347236 AZCNJEFLSOQGST-YWZGRLHBSA-N 404.503 2.641 0 50 HFAA COCCn1cc([C@H]2[C@H](CNC3Cc4ccccc4C3)CC(=O)N2C(C)(C)C)cn1 328605790 PDLCLAPCAMWARN-WMZHIEFXSA-N 410.562 2.975 0 50 HFAA Cn1ccc(N2CCC[C@H](NCC3(c4ccccc4Cl)CCOCC3)C2=O)n1 439602244 FEKBWMISQIFTHC-SFHVURJKSA-N 402.926 2.907 0 50 HFAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc3ccccc3o2)cc1 472406878 KGYOAVJNXPGRBD-UHFFFAOYSA-N 400.456 2.572 0 50 HFAA O=C(CNC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)NC1CCCC1 760747395 UOIXELUFJUZYPU-NRFANRHFSA-N 411.502 2.657 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N1CCN(Cc2ccc(F)c(F)c2)CC1 952987339 KKOSDDYFJDJHLE-UHFFFAOYSA-N 401.457 2.504 0 50 HFAA Cc1cc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c2c(C)noc2n1 1857676356 RFZVZUSSKLIXOQ-QFIPXVFZSA-N 406.442 2.729 0 50 HFAA O=C(c1ccc2ccccc2n1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857697599 YMCLBFXGTXZGCT-VXKWHMMOSA-N 401.466 2.877 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2ccncc2F)CC1 1857697871 AGCBHNHLVPAFPH-SFHVURJKSA-N 403.429 2.635 0 50 HFAA Cc1c(C(=O)N[C@H](CN2CCCS2(=O)=O)C2CC2)cnc2c(Cl)cccc12 1875317424 YVSBYPQFASWYBX-QGZVFWFLSA-N 407.923 2.741 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2Cc3c(cccc3C(F)(F)F)[C@H](C(=O)OC)C2)CC1 1875371637 HQKURBMIDGUNSI-MRXNPFEDSA-N 424.419 2.729 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccnnc4)C3)c3cccc(=O)n32)c1 2356133839 GVSKZGHSSSEMBF-DXIQSLLYSA-N 416.481 2.690 0 50 HFAA NS(=O)(=O)c1ccc(CCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 1145778 FWEBSKGSGJVPEG-UHFFFAOYSA-N 403.451 2.882 0 50 HFAA O=c1[nH]c2ccc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)cc2s1 4690279 BVCDINTTXAWLBD-UHFFFAOYSA-N 408.545 2.853 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1 11698012 XZBMYNIZWYLSDH-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)NCC(C)(C)CO)CCC(=O)N2)c2ccccc12 12098393 PAPDHYNNXDPUHH-XMMPIXPASA-N 412.530 2.955 0 50 HFAA COc1ccc([C@@]2(CC(=O)N(C)[C@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 12098408 VXXBLLMNRJQGSA-SPLOXXLWSA-N 415.515 2.696 0 50 HFAA O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Cl 14373344 ZBODLKGUHDWBAS-UHFFFAOYSA-N 408.907 2.932 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 14539739 FBUKSXSHFGPGLH-GOSISDBHSA-N 414.525 2.798 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCCc1ccc(Cl)cc1 14971160 OBGZZRRBYMORTA-GOSISDBHSA-N 421.875 2.668 0 50 HFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(Cc3ccccc3C)nn2)n1 15068572 LEMXXSSSOYSWRN-UHFFFAOYSA-N 404.396 2.725 0 50 HFAA COc1cc(CNCCCC2CCCC2)ccc1OC[C@H](O)CN1CCOCC1 15074414 MZIBCCLAUASFSY-OAQYLSRUSA-N 406.567 2.827 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3cc(F)ccc3F)C[C@H]2C(=O)NC(C)C)CC1 20271819 JOUMXWSLKZDDIB-UGKGYDQZSA-N 422.564 2.896 0 50 HFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(CCO)[C@@H]1CCS(=O)(=O)C1 20452376 GCHDOSFBQNQGJO-LJQANCHMSA-N 400.500 2.785 0 50 HFAA C[C@@H]1C(=O)NCCN1Cc1ccccc1-c1nc(CCc2ccccc2)cc(=O)[nH]1 23368575 AVPGSOUTCGWZHI-QGZVFWFLSA-N 402.498 2.542 0 50 HFAA CCOc1cc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)ccc1O 55089877 ISQQZJVENLPVES-UHFFFAOYSA-N 401.551 2.746 0 50 HFAA CCN(CC)c1nc2sc(C(=O)NS(=O)(=O)Cc3ccccn3)cc2s1 225526519 ROALVTLJFLKAIP-UHFFFAOYSA-N 410.546 2.859 0 50 HFAA Cc1csc(CCNC(=O)C[C@H]2N=C(O)N(c3cccc4ccccc34)C2=O)n1 252489113 JFSQVGTUBHYAGM-MRXNPFEDSA-N 408.483 2.983 0 50 HFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1C(=O)N(C)C 952974769 KGNUXDZFOBBJJJ-GFCCVEGCSA-N 417.412 2.667 0 50 HFAA CN(Cc1ccccc1)S(=O)(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857679139 XSNACPTZBUEKEO-BDTNDASRSA-N 400.544 2.821 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)Cc3cc(F)cc(F)c3)C1)CC2 1857696292 VCXJXULOZOAXPW-NRFANRHFSA-N 402.445 2.576 0 50 HFAA CCCCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cc(C4CC4)no3)[C@H]3CC[C@]2(C1)O3 1857738078 QNHUBMMEZXXPFD-FIQUECFISA-N 416.522 2.661 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3nccs3)C2)(c2ccccc2)CC1 1875369263 DQCLZOHTDGOWDC-GOSISDBHSA-N 411.527 2.789 0 50 HFAA N=c1[nH]c(C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)cs1 1940197843 WFRFKNUYHZSRAE-UHFFFAOYSA-N 407.499 2.838 0 50 HFAA CN(Cc1nc(C(F)(F)F)no1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 2325716188 QOCMQFFQPNUJAD-UHFFFAOYSA-N 411.167 2.784 0 50 HFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc(C(F)(F)F)no2)CC1 2325723488 RJZULBFKRXTYGL-UHFFFAOYSA-N 406.364 2.702 0 50 HFAA Cc1cc(F)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819608 KUBGIOGIPAMEEE-GDBMZVCRSA-N 404.463 2.549 0 50 HFAA Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCc1cc(=O)c(O)co1 2325870316 SJADZFFWJIOWMI-SSDOTTSWSA-N 424.173 2.509 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2-c2ccc(F)cc2)cc1OC 2356156724 NTBATAZQPVGYBO-UXHICEINSA-N 412.421 2.661 0 50 HFAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 652644 OVUBCSGFLIFLBP-ZDUSSCGKSA-N 408.476 2.506 0 50 HFAA O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 812257 PMSRBHOVTZKOTD-NSHDSACASA-N 407.319 2.687 0 50 HFAA CCCCNC(=O)c1ccc2cc(C(=O)Nn3n[n+](C)c4ccccc43)ccc2c1 6634871 YLRJTCDIVGXAMP-UHFFFAOYSA-O 402.478 2.928 0 50 HFAA O=C(Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1)[C@@H]1CCOC1 11817367 IFXIZMNLPDVMHD-OAHLLOKOSA-N 412.519 2.700 0 50 HFAA COCc1ccc(C(=O)N2CCOc3ccc(CN4CCC[C@H](CO)C4)cc3C2)o1 11995499 YNAAXPZJRZJBPP-SFHVURJKSA-N 414.502 2.665 0 50 HFAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 12162051 QFZMVJIPHFJTFP-OAQYLSRUSA-N 415.578 2.752 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3CCOCC3)C2)c(OC)c1 12314154 FVPILLRQINKGOW-QGZVFWFLSA-N 418.534 2.765 0 50 HFAA CCC[C@]1(C2CCN(C(=O)CC(C)C)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 14882089 MLHPDKQYQHCTOA-AUSIDOKSSA-N 420.598 2.846 0 50 HFAA CCN(CC)C(=O)c1cn(C2CCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)nn1 14980163 ZKVMDPJIMXDLFE-DHZHZOJOSA-N 411.506 2.646 0 50 HFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)[nH]1 91563078 XFKPOXKKSYQFJU-MRXNPFEDSA-N 406.490 2.573 0 50 HFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC 209312964 IYSAUJKPQMUFPV-APWZRJJASA-N 400.479 2.663 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)cc1 409414019 ZRGQSVHMGYCBRZ-GOSISDBHSA-N 409.442 2.721 0 50 HFAA CCOCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 479580490 QLEKPBKGRPVCGB-UHFFFAOYSA-N 405.476 2.880 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)CC3 498717481 RJQRQIYZBYYDPV-ROUUACIJSA-N 424.545 2.614 0 50 HFAA CC(=O)N1C[C@@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)Oc2ccccc21 742922862 CWAHSOANHGWESR-IBGZPJMESA-N 406.398 2.558 0 50 HFAA Cc1cccc(Nc2nc(N)nc(CN(C)C[C@@H]3CC(=O)N(C4CCCC4)C3)n2)c1 1529173619 ZPACBBJRBQUAQH-INIZCTEOSA-N 409.538 2.729 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704297294 LFSMGRUKJZPKNP-NRFANRHFSA-N 413.909 2.856 0 50 HFAA Cn1cc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704308714 HXVSBHARUABFQH-OAQYLSRUSA-N 409.515 2.546 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1ccc(OCC(=O)N2CCCCC2)cc1 1704325672 PDISIEOTVIBLGJ-UHFFFAOYSA-N 413.566 2.673 0 50 HFAA CC(C)=CC[C@]1(C(=O)N2CCCN(C)CC2)C[C@H]2CC[C@@H]1N2C(=O)C1CCOCC1 1704327839 HUTPFHQAXSBCLY-DPLHUUCSSA-N 417.594 2.683 0 50 HFAA CC(C)Oc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc1CO 1704337793 ZZOGYIMVSMYXCR-LADGPHEKSA-N 413.514 2.846 0 50 HFAA C[C@@H](Oc1ccc(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc1Cl)C(=O)O 1857694606 FVURIHNENHKDHS-GFCCVEGCSA-N 417.853 2.507 0 50 HFAA Cc1nnc(N2C[C@@H](C(=O)N(C)CCCOc3cccc(Cl)c3)CC2=O)s1 1857729879 IJPFCIWNSVCPJO-ZDUSSCGKSA-N 408.911 2.780 0 50 HFAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccc3ccccc3n2)cc1OC 1875249325 TYAJTTNZCOWCTA-VXKWHMMOSA-N 408.454 2.827 0 50 HFAA Cc1sc2nc(-c3cccnc3)nc(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1C 1875263586 AOAINQVPDBUSGW-UHFFFAOYSA-N 419.514 2.957 0 50 HFAA Cc1cccc(-n2cc(S(=O)(=O)NC(=O)c3ccc([C@@H]4CCOC4)cc3)cn2)c1 1875343824 VYHVKDQKLKOLHP-GOSISDBHSA-N 411.483 2.803 0 50 HFAA CCOC(=O)[C@H](NC(=O)C[C@H]1CCCc2cc(OC)ccc21)[C@@H](O)c1cccnc1 1875405953 SOXCXVXSWHGKHV-HVETUWLQSA-N 412.486 2.682 0 50 HFAA COC(=O)COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 798721 FGRYRFBANYAPJP-UHFFFAOYSA-N 403.500 2.882 0 50 HFAA COc1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 857902 NBKXFVROKQSHPR-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 1190425 XRLZKDZVYAVWNB-GFCCVEGCSA-N 407.637 2.957 0 50 HFAA CCOc1ccccc1NC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 2581684 SJTKNIIRHWWDHD-UHFFFAOYSA-N 419.532 2.973 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 2774752 SDKCVLKTRLFWIV-YBEGLDIGSA-N 417.468 2.551 0 50 HFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 4991037 APSXPQQQDGLTLX-XZJROXQQSA-N 404.850 2.708 0 50 HFAA CCN(CC)C(=O)c1cn(C2CCN(C(=O)COc3ccccc3Cl)CC2)nn1 12159179 CROSALIQACYDNJ-UHFFFAOYSA-N 419.913 2.656 0 50 HFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2cccnc2)c1=O 12242863 UUJNJPZHMJNARH-UHFFFAOYSA-N 412.534 2.648 0 50 HFAA COc1ccc(-n2ccnc2CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1 12316802 XPFIOKYZGIMVHM-LJQANCHMSA-N 412.534 2.732 0 50 HFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cc1cccnc1 12430028 GOPMNDZWZCSEAH-OAQYLSRUSA-N 407.558 2.979 0 50 HFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2 14993715 XSBCSBGGFZDKJQ-KPKJPENVSA-N 401.514 2.709 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)CCC1=O 15061509 RUDVHOGVQUCTLT-HXUWFJFHSA-N 413.562 2.911 0 50 HFAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)c(OC)c1C 20725895 YHGCSAVGACJNGR-GOSISDBHSA-N 413.522 2.677 0 50 HFAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 65362872 MLADJQAGOCSHAG-UHFFFAOYSA-N 401.833 2.809 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)c1 77299170 GJDPSCUCYQODQW-FUCAVZNHSA-N 417.509 2.639 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4C)ccn3n2)c1 169777076 HGDWZHHYUDFNFW-UHFFFAOYSA-N 416.481 2.839 0 50 HFAA O=C(CCCOc1cccc2ccccc12)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 170591862 FRXXYFMJJDTDCA-AVRDEDQJSA-N 417.527 2.851 0 50 HFAA CNC(=O)CCCCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 170601855 FXGLYULJNISYMY-UHFFFAOYSA-N 406.836 2.709 0 50 HFAA COCC1(C(=O)NCC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 225412873 XVOCFXUTBRMNEL-UHFFFAOYSA-N 420.506 2.510 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](CC)C(=O)NC)csc3C2)nc1 426536234 FMUZYEBCCNQZIV-SFHVURJKSA-N 400.548 2.518 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4C[C@H](F)CN4)csc3C2)nc1 426571363 COTFALIZLUIZEF-RDJZCZTQSA-N 402.539 2.694 0 50 HFAA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C(=O)NCC1CC1)CC2 472796565 SSVPRFWIVWJYIC-IBGZPJMESA-N 400.500 2.766 0 50 HFAA CN(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCCOC1 497472748 SQWNFDZMSVMULC-HIFRSBDPSA-N 401.385 2.511 0 50 HFAA COCc1cccc(CC(=O)NS(=O)(=O)Cc2cccc(Br)c2)c1 798883702 QOGFTSYSGUXBFU-UHFFFAOYSA-N 412.305 2.784 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NCc1nc(O)c2ccccc2n1 1506400777 ACBYOVMPVDWIJW-UHFFFAOYSA-N 402.457 2.839 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(-c3cnco3)cc2)cc1OC 1529103634 FOMZPQDBRIMPCY-FGZHOGPDSA-N 424.453 2.933 0 50 HFAA Cc1nn(C)cc1C(=O)NC[C@@H]1CCC[C@H](NC(=O)c2ccc(C)n2C(F)F)C1 1857688217 XNSVZFWEODIYAF-CABCVRRESA-N 407.465 2.952 0 50 HFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(c2cccnc2)CC1 1857708114 VXRVGPUCDLHOCT-QGZVFWFLSA-N 406.490 2.573 0 50 HFAA COCc1nnc(N2C[C@H](C(=O)NC3(Cc4ccc(Cl)cc4)CC3)CC2=O)s1 1857712961 PCPDJQAQTBYSOQ-CYBMUJFWSA-N 420.922 2.582 0 50 HFAA O=C(CN1CCCS1(=O)=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 2325708342 KEFXMEMOMDELMU-UHFFFAOYSA-N 417.512 2.680 0 50 HFAA O=C([C@H]1C[C@@H]1C(=O)N1CCOc2cccc(F)c21)N1CCOc2cccc(F)c21 2325741829 LSKLWQDTQISJPT-STQMWFEESA-N 400.381 2.752 0 50 HFAA Cc1cc(C)n2ncc(C(=O)Nc3ccc4nc(N5CCN(C)CC5)sc4c3)c2n1 2325776615 BJVRMXQQDBPTLZ-UHFFFAOYSA-N 421.530 2.960 0 50 HFAA CS(=O)(=O)c1ccc(CN2CC[C@@](O)(c3ccccc3Br)C2)cc1 2325854192 RQZWQUYFHCTQLM-SFHVURJKSA-N 410.333 2.946 0 50 HFAA O=C(c1ccc2c(O)nncc2c1)N1CC[C@@](O)(c2cccc(Br)c2)C1 2325869049 XGAZIAOZPRILHY-IBGZPJMESA-N 414.259 2.832 0 50 HFAA CNc1ccc(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)O)cc1F 2325877321 OQDFDDQAQQSQBD-HNNXBMFYSA-N 411.227 2.892 0 50 HFAA NC1(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)CCCC1 2356153809 VTKSROCEAMKXJS-ZFMNYDKASA-N 413.537 2.868 0 50 HFAA COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 652445 PPPWEFFZJHXLAC-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccc(F)cc2)cc1 780802 FHBJHOZBOYOSAP-LJQANCHMSA-N 420.506 2.620 0 50 HFAA COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1nc(C)cs1)C(F)(F)F 2050498 UKUZTEUJWUMKOE-OAHLLOKOSA-N 403.382 2.734 0 50 HFAA CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(C(N)=O)c1C 2746136 OFBFSUZBQDEUEJ-UHFFFAOYSA-N 422.459 2.610 0 50 HFAA O=S(=O)(c1ccc(NC(=S)NCCCc2ccccc2)cc1)N1CCOCC1 3256777 SUKSPRPZPRQGPP-UHFFFAOYSA-N 419.572 2.627 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1 4818004 YDIZPJLXMXIPPM-UHFFFAOYSA-N 412.533 2.835 0 50 HFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1Cl 11838823 BOIFGAFLBKLPIX-HNNXBMFYSA-N 419.913 2.988 0 50 HFAA Cc1cc(C)nc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 12111664 HQHRQFCHYPIZHR-HXUWFJFHSA-N 408.550 2.834 0 50 HFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](CCC(=O)N2CCOCC2)C1 12835432 GAYHJALQNXTLNQ-QGZVFWFLSA-N 408.926 2.905 0 50 HFAA Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3cccnc3)CC2)cc1 13139266 YYJVTUOUDHLDSO-UHFFFAOYSA-N 401.532 2.791 0 50 HFAA CC(=O)Nc1ccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cc1 14532428 CFWLYLWSOZTSBA-UHFFFAOYSA-N 417.513 2.867 0 50 HFAA CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccoc1)CC2 14999815 QTTBCSSVNVGYBX-LJQANCHMSA-N 408.506 2.842 0 50 HFAA CCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1 20601637 IDMFNSQOTYUUHE-QFIPXVFZSA-N 400.567 2.906 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 33700117 YFNQNDCDDPROQM-IUYQLWOBSA-N 414.483 2.609 0 50 HFAA CC1=C(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)OCCO1 55282174 JOEIDHICCJPZPR-IBGZPJMESA-N 405.926 2.731 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c(C)c1 67602201 JWXWCQWYWUIOPM-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA CC[C@@H](CO)NC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72477402 ACEDIHXVULNVMJ-KRWDZBQOSA-N 412.465 2.769 0 50 HFAA Cc1nccc(N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 82120653 LKKGPAIQGWZPMV-OAQYLSRUSA-N 407.562 2.825 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)NC3CCCC3)CC2)C1 82134094 TYBAJQWYQXDNEA-SFHVURJKSA-N 413.566 2.526 0 50 HFAA O=C(NCCC1(O)CCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 91663831 QNEVVBBZHWFYQX-NRFANRHFSA-N 414.594 2.569 0 50 HFAA Cc1cncn1C1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 225400112 DHGFZHXIBKXDCP-HSALFYBXSA-N 412.534 2.721 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 238937384 UYRFCBZILYXXIW-DVOMOZLQSA-N 416.377 2.566 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2cccc(Cl)c2)C1 426082045 ZGRCJKJJFVERMH-VJBCGDRYSA-N 413.949 2.727 0 50 HFAA C[C@@H]1Cc2cc(C(=O)NC3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2O1 426491072 PGHPYZHAIGBLTH-OAHLLOKOSA-N 400.500 2.593 0 50 HFAA COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 824396850 DOKLWHGRJROQDM-GOSISDBHSA-N 401.894 2.759 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2[C@H]3CC[C@@H]2CCN(C)C3)ccc1F 1704309626 ZQFSBQHRRBQKLS-CABCVRRESA-N 402.470 2.864 0 50 HFAA O=C(c1cc(=O)c2ccccc2o1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857673207 PBUYZRWISNDWEA-QHCPKHFHSA-N 404.422 2.683 0 50 HFAA CCCn1cc(-n2ccnc2-c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cn1 1857693214 NETCGZSCECRXKM-FQEVSTJZSA-N 409.490 2.820 0 50 HFAA CN(C)CC(=O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857706173 CKMFNLGNZDVGIA-HXUWFJFHSA-N 401.551 2.563 0 50 HFAA O=C(c1ccon1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(Cc2nc3ccccc3[nH]2)CCO1 1857706477 UYBOPNFIAUPQQB-BRLLKYFNSA-N 407.474 2.589 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857741077 BMGWTNNHKAEISH-VIZSFHNOSA-N 400.438 2.544 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2Cc3c(cccc3C(F)(F)F)[C@@H](C(=O)OC)C2)CC1 1875371636 HQKURBMIDGUNSI-INIZCTEOSA-N 424.419 2.729 0 50 HFAA Cc1c(-c2cc(CNCC(C)(C)[C@@]3(O)CCCOC3)cc3c2OCO3)cnn1C 1875391960 IDSAPVSDLKEUQY-JOCHJYFZSA-N 401.507 2.782 0 50 HFAA CN1CCC[C@H](C(=O)NCc2ccnc(CNC(=O)c3ccc(F)cc3Cl)c2)C1 2100537071 HPSHNPDNLUSYAW-HNNXBMFYSA-N 418.900 2.762 0 50 HFAA CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)Cn1cnc2c(N)ncnc21 2325722642 FIMBIZHYPLBHQI-UHFFFAOYSA-N 412.494 2.645 0 50 HFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O 2325819524 HRAFGDCGZRUSSI-DZGCQCFKSA-N 406.891 2.755 0 50 HFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(-c3cncc4nc[nH]c34)cc2)on1 2356139350 WOTXCJLGADAUIC-UZLBHIALSA-N 403.442 2.909 0 50 HFAA c1ccc2nc(N3CCOCC3)c(CN3CCc4nc(C5CC5)nn4CC3)cc2c1 2356150054 JMTSQYRUKLSWPI-UHFFFAOYSA-N 404.518 2.599 0 50 HFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 2804103 KMKVSUGSCGYISJ-UHFFFAOYSA-N 401.279 2.774 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)COc2ncnc3ccccc23)C1 11760971 IMEUAJPSCPVJQB-MRXNPFEDSA-N 419.437 2.859 0 50 HFAA CC(C)[C@@H](CO)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11761576 ZPZGISPKRDGQKQ-OAQYLSRUSA-N 408.546 2.982 0 50 HFAA CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CCC)n2C[C@H]2CCCO2)n[nH]1 11819062 QLTIXPHEELGKTG-LJQANCHMSA-N 423.583 2.553 0 50 HFAA CN1CCC(N2CCC(CN(Cc3ccncc3)Cc3ccc(CO)o3)CC2)CC1 12302140 UPQMAIHPSKFVBD-UHFFFAOYSA-N 412.578 2.975 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 12439105 XAPNVVOMJMLFIL-HNNXBMFYSA-N 402.470 2.848 0 50 HFAA CSc1ccccc1OCc1cc(C(=O)NCCSc2nncn2C)no1 12588453 JFJADGDBGYPQOO-UHFFFAOYSA-N 405.505 2.626 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3c(Cl)cccc3Cl)CN2C1=O 14534243 BNCPTOUDGAJTOV-BPNCWPANSA-N 413.305 2.629 0 50 HFAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)Cc1cccnc1)C2 14536148 WWFBVTIBPJHOLC-UHFFFAOYSA-N 409.534 2.734 0 50 HFAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)Cc5ccccc5)n4CC3)[C@@H]1C2 14958269 OPWUIBOCODMACJ-SFTDATJTSA-N 419.573 2.988 0 50 HFAA COC(C)(C)CNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91621045 ZDPINOKCHZMYGH-NRFANRHFSA-N 413.606 2.871 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccccc1Cl 169752489 DBQKJLOSHHZZEP-UHFFFAOYSA-N 408.845 2.947 0 50 HFAA COc1cc(OC)cc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 225499068 PFEZWQDRUQWPDT-GOSISDBHSA-N 420.487 2.832 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc(N2CCCC2=O)c(F)c1 487999288 LWKALBMQSPVIEC-ZLEFWTIJSA-N 411.477 2.583 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 952976810 USHVBIQVNMCSHN-CYBMUJFWSA-N 411.849 2.921 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C1CSCCSC1)C2 1506424017 HEIZETZOZLKIHB-GGPKGHCWSA-N 400.654 2.674 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3nc(C)no3)C[C@]2(CCc2ccccc2)C1 1772712254 LZATXXABRQAAHL-WIYYLYMNSA-N 400.548 2.634 0 50 HFAA CN(CC(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2)Cc1ccncc1 1857668403 PUGFAGFDMWIBJN-FCHUYYIVSA-N 409.530 2.787 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc4nn[nH]c4c3)C1)CC2 1857700999 NUAQZSQGVZVSMS-JOCHJYFZSA-N 406.490 2.871 0 50 HFAA CCc1nnc(N2C[C@@H](C(=O)N(C)Cc3c[nH]nc3-c3ccccc3)CC2=O)s1 1857713762 MSJOKTRBHPEZDL-AWEZNQCLSA-N 410.503 2.502 0 50 HFAA Cc1cc(N2CCN(c3noc(-c4ccc(Cl)cc4)c3C(=O)O)CC2)nc(=N)[nH]1 2356144881 PZGOYJFQXXNJJA-UHFFFAOYSA-N 414.853 2.531 0 50 HFAA COc1cccc(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)c1 731708 VUGDNFDOUVQFDQ-UHFFFAOYSA-N 402.476 2.986 0 50 HFAA COc1ccc2nc(NC3=N[C@H](C(=O)Nc4ccc(C)cc4)CC(=O)N3)nc(C)c2c1 902611 LEIYHXRDTOTMQN-SFHVURJKSA-N 418.457 2.550 0 50 HFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1Cl 1121382 QYTBRQHFASLKSQ-UHFFFAOYSA-N 415.851 2.710 0 50 HFAA COc1cccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)c1 2983980 BOLRSLXNACJTET-UHFFFAOYSA-N 422.572 2.819 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1 4100868 RRUHRQCUOJRTHJ-UHFFFAOYSA-N 420.575 2.979 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 4756849 IJHMXIZWTBSKHE-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)CC1 7733334 GUXKLGSCYXYRQM-UHFFFAOYSA-N 409.515 2.921 0 50 HFAA C[C@@H]1C[C@@H](CC(=O)N2CCC(c3ccnc(-c4ccccc4)n3)CC2)NC(=S)N1 11782561 XCGHNPPPWWZZOK-QAPCUYQASA-N 409.559 2.865 0 50 HFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 12381266 AJHGSCDCQAMERZ-KRWDZBQOSA-N 415.534 2.819 0 50 HFAA CC(C)c1nc(CNCc2cccc(OC[C@H](O)CN3CCC(O)CC3)c2)cs1 12458466 XBCYTSRQADKUCZ-HXUWFJFHSA-N 419.591 2.753 0 50 HFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 17092276 NBOUAFWGZWAPKT-KBPBESRZSA-N 420.531 2.929 0 50 HFAA COC(=O)CC[C@H]1CN(Cc2cc(C)c(OC)cc2C)CC[C@H]1N1CCOCC1 20119568 RNGVADOYIVXDSZ-PZJWPPBQSA-N 404.551 2.788 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccc(Cl)cc1)CC(=O)N2 65362748 GWDOQPSOATWOCS-INIZCTEOSA-N 424.892 2.935 0 50 HFAA O=C(NCCNc1cccnc1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91503852 MWUDLLBZGKXVFC-KRWDZBQOSA-N 400.910 2.744 0 50 HFAA CCN1CCN(c2cccc(NC(=O)c3c[nH]n4c3nc(=O)c3ccccc34)c2)CC1 474833081 NGZAMLVXRKRFAW-UHFFFAOYSA-N 416.485 2.570 0 50 HFAA Cc1sc2nc(CCNC(=O)c3csc(-c4ncccn4)n3)nc(O)c2c1C 670458620 ZYCYTWZUVHJGFT-UHFFFAOYSA-N 412.500 2.900 0 50 HFAA CCc1ncnc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C)oc4C)[C@H]4CC[C@]3(C2)O4)c1F 1704338363 RWKOJXPSQJENBY-FIQUECFISA-N 414.481 2.802 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(C(=O)Nc3cc(C)ccc3C)C[C@@]2(CN(C)C)C1 1772811010 RTGGQZAAXPRZJD-DYESRHJHSA-N 404.580 2.520 0 50 HFAA CO[C@H]1C[C@@H](C(=O)NCc2oc3ccccc3c2C)CC[C@@H]1NC(=O)c1cn(C)cn1 1857686506 ZHNMMVPVUNKUIE-KNBMTAEXSA-N 424.501 2.705 0 50 HFAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCOc3ccccc3Cl)CC2=O)s1 1857735487 POHPTYGYDPUDEF-LBPRGKRZSA-N 408.911 2.863 0 50 HFAA C[S@](=O)(CC1CN(C(=O)c2ccc(F)cc2)C1)=NC(=O)COc1ccccc1 1875302414 PGLMUUFXRVMGCZ-NDEPHWFRSA-N 404.463 2.601 0 50 HFAA O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc2nn[nH]c2c1 2325718945 URHXMOFXZWQDSD-UHFFFAOYSA-N 410.337 2.828 0 50 HFAA COc1ccc(CN(C)C(=O)c2cn(Cc3c(F)cccc3F)nn2)cc1OC 12055709 HSIVBPWATKWUJI-UHFFFAOYSA-N 402.401 2.894 0 50 HFAA CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccn(C)n3)ccc21 12159570 JFWKEZICGYLNKD-MRXNPFEDSA-N 404.492 2.654 0 50 HFAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12381254 QKFNSXLWGVGHBO-UHFFFAOYSA-N 423.579 2.987 0 50 HFAA COc1ccc(OC)c(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)c1 15077432 MDXSRVBFKADSCN-UHFFFAOYSA-N 401.551 2.659 0 50 HFAA CN(Cc1cccnc1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20783979 HRBDDSMHHOEDCY-UHFFFAOYSA-N 405.502 2.660 0 50 HFAA O=C(C1CCN(C2CCN(Cc3cc4ccccc4o3)CC2)CC1)N1CCOCC1 23429413 PJJGRUMKCJXCOI-UHFFFAOYSA-N 411.546 2.968 0 50 HFAA CC(C)C(=O)NCCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 39413255 BANGLAZECPPDEI-UHFFFAOYSA-N 409.456 2.670 0 50 HFAA CCn1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)nc2ccccc21 39532535 CGNZKUQHLWLBBW-OAQYLSRUSA-N 413.610 2.798 0 50 HFAA CSc1ccc2c(C)cc(N3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)nc2c1 91593705 BDZXGFMDQXMDKT-QZTJIDSGSA-N 400.592 2.557 0 50 HFAA COc1cc(CN(C)Cc2ncc[nH]2)ccc1OC[C@@H](O)CN1CCCCCC1 95498178 JBGUDPGALQCQDO-IBGZPJMESA-N 402.539 2.666 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)[C@@H]3CCOC(C)(C)C3)CC2)nn1 244816833 SPHKJVRNPYBRKN-ZACQAIPSSA-N 405.543 2.565 0 50 HFAA COc1ccc(N2C(=O)[C@@H](CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)N=C2O)cc1 252478923 AXJMSSUUSSSWEE-FZKQIMNGSA-N 421.457 2.858 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cccc(OC)c4OC)c3CO2)cc1 263618460 TWYTUIUCXJSMTA-LJQANCHMSA-N 424.457 2.505 0 50 HFAA Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 328592909 PZCMTLBKMSHHTD-HHHXNRCGSA-N 403.891 2.876 0 50 HFAA Cc1ncc(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3=O)C2)c(O)n1 426518294 ITHPIHFJXCYJIW-HSZRJFAPSA-N 408.502 2.578 0 50 HFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(C)nc2c1c(O)nc(=O)n2C 670450944 XSVBYAIIGMVXQT-OAHLLOKOSA-N 408.458 2.683 0 50 HFAA Cc1nc(O)c(Br)cc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 796815442 DOARHTUCFZPPRN-MRXNPFEDSA-N 401.207 2.774 0 50 HFAA COc1cccc([C@H]2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C2)c1OC 952970520 LCKYZUYEBRBVOW-INIZCTEOSA-N 409.490 2.707 0 50 HFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 952980331 GKDNRTMBTBOGTM-MRXNPFEDSA-N 406.958 2.788 0 50 HFAA CCc1csc(CNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCN(CC)C3)n1 1857689495 FVHPCSNQRWIQGR-ZWCUEREDSA-N 420.623 2.535 0 50 HFAA O=C(c1cnsc1)N1CC[C@@]2(CCN(C(=O)c3ccc(Br)o3)C2)C1 2325841231 JYAQKMOJLUDVHI-MRXNPFEDSA-N 410.293 2.877 0 50 HFAA Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 784205 HHQKWFXHNGJMFN-UHFFFAOYSA-N 410.879 2.824 0 50 HFAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2)CC3)c1 12024412 IDHFFFPCBYUNQH-QGZVFWFLSA-N 405.502 2.836 0 50 HFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 12155403 AWHRNDNNPACBJY-WAIKUNEKSA-N 416.493 2.696 0 50 HFAA CSc1cccc(CN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1 12583762 JDTSIAFUXJUJJE-SFHVURJKSA-N 417.575 2.618 0 50 HFAA COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2coc4c2C(=O)CCC4)C3)nn1 19301100 FVZMMLLDBTXYBW-CQSZACIVSA-N 419.437 2.998 0 50 HFAA Cn1c(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc2ccccc21 36357020 GPMJTYHNKXQESC-UHFFFAOYSA-N 419.481 2.938 0 50 HFAA Cc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)c1 65362424 KLGVBLODIMUHNP-QGZVFWFLSA-N 404.474 2.590 0 50 HFAA C[C@@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1n[nH]c(=O)[nH]1 67672992 BHTRWISXSOSQKD-MRVPVSSYSA-N 422.392 2.984 0 50 HFAA O=C(C1CCC1)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77505585 QFRFSPARNSIESJ-UHFFFAOYSA-N 414.527 2.729 0 50 HFAA Cc1nc(N(C)C)nc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C 91365250 KYAMKIOVVDJMCX-SFHVURJKSA-N 401.555 2.547 0 50 HFAA O=C(CCNC(=O)OCC(F)(F)F)OC1CCN(c2ccc(Cl)cn2)CC1 170629771 QBWHJTSBQPZTGR-UHFFFAOYSA-N 409.792 2.926 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@H](c2ccncc2)C1 225720001 JKVFALUPIGHNNN-OALUTQOASA-N 419.522 2.788 0 50 HFAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 230140176 KLVTYKAAOHEMGM-ZOBUZTSGSA-N 419.497 2.988 0 50 HFAA O=C(CCn1cccn1)NCc1ccccc1CN1CCN(c2ccccc2)CC1 478220098 ODXOHDRQPOUOBI-UHFFFAOYSA-N 403.530 2.912 0 50 HFAA COc1ccc2cc(/C=C/C(=O)Oc3ccc(C(=O)NCC(N)=O)cc3)ccc2c1 734719264 MDTLFUYPHRHRMN-QDEBKDIKSA-N 404.422 2.682 0 50 HFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@@H](c3cccc4ccccc34)C2=O)c1 771801494 LNTOFWXYKIVSSY-IBGZPJMESA-N 409.467 2.888 0 50 HFAA COc1ccc([C@H](CC(=O)NCCc2cnc[nH]2)c2cc3c(cc2O)OCO3)cc1 824654018 ARZUMWBGNCTPFN-KRWDZBQOSA-N 409.442 2.734 0 50 HFAA biogenic Cc1noc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)N(C)C)c3)o2)c1C 1506407934 LLQVSYXVVUXNAC-UHFFFAOYSA-N 403.460 2.732 0 50 HFAA CN(C)C(=O)CN1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)NCc1ccccc1 1704337236 PGBSSOVUBJGYSI-SLSDLSHTSA-N 405.542 2.857 0 50 HFAA O=C(CN1CCC(OCc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 1875341465 UNUOPDFZOVOGLH-UHFFFAOYSA-N 410.453 2.626 0 50 HFAA NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 794263 CHFOWLCAIBDMHS-NSHDSACASA-N 422.268 2.849 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)O)cc1 814813 DIVWKGSOCQDOPU-SFHVURJKSA-N 405.414 2.913 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 3464729 KRXFKWFWPKBELF-ICSRJNTNSA-N 402.516 2.700 0 50 HFAA O=C(c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)N1CCOCC1 4727594 IKXHLZUJFPBPBC-UHFFFAOYSA-N 414.405 2.979 0 50 HFAA CCN(CC)CCOC(=O)NCCCCCCNC(=O)OCCN(CC)CC 4775530 KETHSIZJDSAPFL-UHFFFAOYSA-N 402.580 2.683 0 50 HFAA CC1=C(C(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)OCCO1 11768006 IWVIEEWSHACSRH-UHFFFAOYSA-N 416.474 2.693 0 50 HFAA Cc1ncc2c(c1CNC(=O)c1ccco1)CCN(C(=O)c1cn3ccccc3n1)C2 12080261 HWNDQWACCGOQAV-UHFFFAOYSA-N 415.453 2.759 0 50 HFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1)c1ccccc1 12298580 TVGVIFXHFMTKJJ-NRFANRHFSA-N 408.506 2.780 0 50 HFAA COc1ccc(CCN2C[C@@H](C(=O)NCCCc3scnc3C)CCC2=O)cc1 12432348 NJMSKBBOOHAIEC-SFHVURJKSA-N 415.559 2.990 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@@H](C)c3ccon3)cc2)CC1 12612434 UTMZLQFPLVDWLV-INIZCTEOSA-N 415.490 2.914 0 50 HFAA Cc1nn(C)cc1CNCc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 13596782 YBAVFJACUUJXRI-HSZRJFAPSA-N 408.546 2.890 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)N(C)C2CCOCC2)[C@H](c2ccc(Cl)cc2)N1C 14977248 LTVHRQYQDFVLTE-WFXMLNOXSA-N 408.926 2.902 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@@H]2CCCO2)c1=O 15071689 KRAIEXOESFUHRR-KRWDZBQOSA-N 403.523 2.648 0 50 HFAA CN(Cc1cnccn1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71748178 RPHLZPAZNZXOID-XMMPIXPASA-N 400.482 2.982 0 50 HFAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2cccnc2=O)cc1 91593345 IECOGDDLWWXIOL-IBGZPJMESA-N 405.502 2.920 0 50 HFAA Cc1nccn1CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 95391152 RQCDVHUXMZKXAP-UHFFFAOYSA-N 402.445 2.511 0 50 HFAA CCc1noc(-c2cccn3c(CNC(=O)Cc4c[nH]c5ccccc45)nnc23)n1 169749852 DCBKRBLCAGEODZ-UHFFFAOYSA-N 401.430 2.682 0 50 HFAA Cc1ccc(NC(=O)CN2CCS[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C 230172543 NKJCUTHRRPOFAJ-SJORKVTESA-N 411.593 2.544 0 50 HFAA O=C(CCCn1cncn1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 952971130 NBZVFAKSRHVKIP-UHFFFAOYSA-N 418.423 2.974 0 50 HFAA Cc1nonc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C 1506417042 FYLJNDDIPNXRIK-UHFFFAOYSA-N 408.383 2.900 0 50 HFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1c(C)nn(-c3ccc(F)cc3)c1C)C2 1565527296 HCWONIGJAGEWIO-PXNSSMCTSA-N 400.498 2.811 0 50 HFAA Cc1ccc(CN2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)s1 1857703385 JYGVUKQGFCEMBK-OAQYLSRUSA-N 400.548 2.869 0 50 HFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@H]1CN(C)S(=O)(=O)c2ccsc21 1857727508 UTWHIJIYDDDWQR-ZDUSSCGKSA-N 402.501 2.552 0 50 HFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875256888 FXXZGFRWOJITSV-BEFAXECRSA-N 408.907 2.663 0 50 HFAA Cn1cc(S(=O)(=O)NC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cn1 1875342976 BLHBMOYILANHQZ-UHFFFAOYSA-N 422.466 2.666 0 50 HFAA O=C(NC1(C2CC2)CCOCC1)[C@H]1CCC[C@H](C(=O)NC2(C3CC3)CCOCC2)C1 2325737686 GJIFVTLXJDKUOU-ROUUACIJSA-N 418.578 2.944 0 50 HFAA CC(=O)N[C@H](CC(=O)NCc1cc(C)c(C(=O)O)o1)c1ccc(Br)cc1 2325851609 DSJKOFITFQUHON-OAHLLOKOSA-N 423.263 2.932 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccc(-n3cnnc3)c2)CC1 2356149720 SOLDLJCDNWZPNQ-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA O=C(c1ccc2c[nH]nc2n1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356167698 YQUYFHGBEHHOQF-HSZRJFAPSA-N 403.486 2.798 0 50 HFAA CCOC(=O)c1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccccc1OC 1831283 PWWMZBSGPOUHCQ-UHFFFAOYSA-N 418.423 2.984 0 50 HFAA biogenic CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1cccc(C(=O)OC)c1 11879044 UKKLUZLCSINITF-UHFFFAOYSA-N 401.551 2.742 0 50 HFAA O=C(C1CC1)N1CCC(N2CCC[C@@H](C(=O)N3CCc4sccc4C3)C2)CC1 12195278 FIIFKKMLRBMJEH-GOSISDBHSA-N 401.576 2.746 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 12429478 PZUVLSJIKZFAHY-HXUWFJFHSA-N 424.593 2.812 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2COC)n1CCc1ccccc1 12433239 DKEMHKAKPCIWGZ-LJQANCHMSA-N 405.564 2.920 0 50 HFAA O=C(NCc1ccc(F)c(F)c1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15064080 KEXYHYKHIUJUAL-QGZVFWFLSA-N 405.489 2.694 0 50 HFAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN(C)C[C@@H]1COCCO1 20109507 KFHUDSDVZHVWQB-CQSZACIVSA-N 416.503 2.506 0 50 HFAA CCCN1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(C)C)C2)CC1 20363967 NXYUQYZJGLZKLR-GGAORHGYSA-N 418.601 2.800 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc(OC)c(COC)c3)C2)CC1 20600575 YXUCNTVWBFPXCK-FQEVSTJZSA-N 405.539 2.580 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)c(F)c1 44891166 HFIPYOJZSOVSNU-UHFFFAOYSA-N 420.444 2.898 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N(C)CCO)nc2c1=O 72468543 RSXOJDSULJKQHD-UHFFFAOYSA-N 414.893 2.847 0 50 HFAA CC(C)Cn1c(CC2(CC(=O)N3CCNC(=O)CC3)CCCC2)nc2cccnc21 77379430 SZBNOTFZGCHXIA-UHFFFAOYSA-N 411.550 2.929 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)CCc3ncon3)csc2C1 426515449 BHXOXXVMJYIGNP-UHFFFAOYSA-N 401.492 2.609 0 50 HFAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)no1 429571395 RCJXYXDPNKXYNJ-UHFFFAOYSA-N 419.503 2.817 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)c1OC 439136112 RGOJXIYBNIDPJC-CJFMBICVSA-N 420.509 2.892 0 50 HFAA CSCC[C@@H](C(=O)Oc1ccc2c(c1)CCC(=O)N2)N1C(=O)c2ccccc2C1=O 817767392 USXDGAQILMDZGW-SFHVURJKSA-N 424.478 2.895 0 50 HFAA O=C(c1csc2c1CCCC2)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952969169 ADKVSBVRHLXWIW-UHFFFAOYSA-N 411.593 2.506 0 50 HFAA O=C1NC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 1354729986 JSHAPYYKXOEXQY-GOSISDBHSA-N 403.404 2.881 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc(O)c(Cl)c2)cc1OC 1529098882 NWJPOZVOENEUKP-TZIWHRDSSA-N 421.877 2.566 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CN1Cc1ccncc1 1704302483 MPEKHTOUTCYFBD-QGZVFWFLSA-N 411.527 2.582 0 50 HFAA COc1ccc(Cc2nc(-c3cn4cccnc4n3)n([C@H]3CCOC3)n2)cc1OC 1772813945 CDNGCWZJQHXUDU-HNNXBMFYSA-N 406.446 2.557 0 50 HFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)CC2 1857709305 QCPLPJAMOJCVHL-UHFFFAOYSA-N 409.511 2.732 0 50 HFAA COCc1ncc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(=N)[nH]1 1875257989 LGMKCHNQBSISEA-UHFFFAOYSA-N 407.261 2.839 0 50 HFAA C(=C/CN1CCC(OC[C@H]2CCCO2)CC1)\CN1CCC(OC[C@H]2CCCO2)CC1 2325707601 NSOHFCCEZHHRRC-HVMCHJIESA-N 422.610 2.863 0 50 HFAA CO[C@@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1 2332238899 PCNNSKDNXXDTBT-LDLUVENISA-N 422.547 2.814 0 50 HFAA O=C(c1ccc2nnnn2c1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157867 VJHLRIQYTIXRCY-QHCPKHFHSA-N 411.469 2.702 0 50 HFAA O=C(NCc1ccc2nc[nH]c2c1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356158631 SIAGTHNBIUXZKF-YAEBDLLGSA-N 401.470 2.511 0 50 HFAA CCn1cc(C(=O)NC(=S)Nc2ccc(I)cc2)cn1 650008 JWUWRVAJGFWRCJ-UHFFFAOYSA-N 400.245 2.634 0 50 HFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 4844878 BDQIPJPKKPAGLQ-UHFFFAOYSA-N 416.499 2.821 0 50 HFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1 6743911 PCDQGZQYZZZKAK-OAHLLOKOSA-N 408.549 2.986 0 50 HFAA Cc1ccc(C2=NN=C(NC(=O)CSc3nnnn3-c3ccccc3)SC2)cc1 9408700 NIQOZLVSJGVAKK-UHFFFAOYSA-N 423.527 2.686 0 50 HFAA CCN(CC)C[C@H](O)COc1ccc(CNCCc2nc(C)cc(C)n2)cc1OC 12205306 ZCMLMUJEZOIGAX-FQEVSTJZSA-N 416.566 2.516 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)cc2)CC1 12206137 MULRCWPFFLNEMK-SFHVURJKSA-N 418.534 2.780 0 50 HFAA Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c2c(n1CC(C)C)CC(C)(C)CC2=O 12386533 FIIZNOPJBWPYJC-UHFFFAOYSA-N 401.551 2.874 0 50 HFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(Cc3ccccc3)C2)cn1 14531005 HRVJIIDPPNOMSC-FCHUYYIVSA-N 410.562 2.585 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccs1)CC2 14733565 XZUMSHFIEZTKAC-UHFFFAOYSA-N 414.531 2.589 0 50 HFAA Cc1cc2cc(CNC(=O)C[C@H]3C(=O)NCCN3CCCc3ccccc3)ccc2[nH]1 15077397 LHQCNAOKSWXDIH-QHCPKHFHSA-N 418.541 2.916 0 50 HFAA CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)s1 16607382 YHROWWHHIFPIBD-UHFFFAOYSA-N 408.549 2.757 0 50 HFAA CC(C)N[C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccccc2)C1 23361962 QYGZOEOYCZPINN-SFTDATJTSA-N 409.530 2.715 0 50 HFAA CCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 55309677 UXJUWNDXJYOSEV-SFHVURJKSA-N 403.548 2.916 0 50 HFAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 65364228 VUZDBSQMOCWFJC-OAHLLOKOSA-N 418.457 2.774 0 50 HFAA C[C@@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 145011494 IIXWYSCJSQVBQM-NSHDSACASA-N 406.421 2.801 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](NCCC(=O)NCc2ccccc2)C2CC2)C1 170601612 UPCBSYRYMLWTSY-TZIWHRDSSA-N 417.550 2.697 0 50 HFAA O=C(C[C@@H]1CSCCS1)N1CCC(O)(c2scnc2Br)CC1 225489277 KRLZPFBQWPFRCJ-SNVBAGLBSA-N 423.423 2.954 0 50 HFAA COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 225525110 ASGJDFSOIJVHSD-ZDUSSCGKSA-N 414.439 2.630 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239309528 HQGWYDIJLPPTNX-JPRZGNOKSA-N 422.481 2.635 0 50 HFAA O=C(/C=C\c1cccc(F)c1)N[C@H]1CC[C@@H](n2cc(C(=O)N3CCCC3)nn2)CC1 252448918 XISIHQGSFUQAIV-ACOFZUGVSA-N 411.481 2.967 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cc(F)cc(F)c4)c3CO2)cc1 263615194 BBWQMDMZMWHMKK-GOSISDBHSA-N 400.385 2.766 0 50 HFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263616499 JAYSTMYGHHZUOA-JOCHJYFZSA-N 424.549 2.756 0 50 HFAA COc1ccccc1C(=O)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 334158441 OILJALUHBKEZIR-INIZCTEOSA-N 411.483 2.593 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NC(C)(C)C(=O)N(C)C)csc2C1 426389281 QUOMHWLWSISISH-UHFFFAOYSA-N 404.536 2.508 0 50 HFAA CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 730311595 MIAJIFCKWXUOBP-HNNXBMFYSA-N 405.501 2.522 0 50 HFAA COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 743995938 KHYLPULYLYPODP-KRWDZBQOSA-N 424.501 2.926 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)NCc3ccc(C(=O)N(C)C)o3)c(C)s2)n[nH]1 1506418274 RROQXIPHOMTALS-UHFFFAOYSA-N 408.505 2.528 0 50 HFAA COc1cc2ccc1Oc1cc(F)cc(c1)CNC(=O)CCCNCCCNC2=O 1704316898 BDEXUCPNPLYOCA-UHFFFAOYSA-N 415.465 2.746 0 50 HFAA O=C(CC1CCCC1)N[C@@H]1CN(C(=O)c2c[nH]nc2C2CCCCC2)CC[C@@H]1O 1857680170 CWBKAHDTNUQZCV-MOPGFXCFSA-N 402.539 2.729 0 50 HFAA N=c1[nH]c2cc(C(=O)N3C[C@@H](O)[C@H](Cc4ccnc5ccccc45)C3)ccc2s1 1875240339 AOTCOZIPIQILIG-DNVCBOLYSA-N 404.495 2.933 0 50 HFAA Cn1nnc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)n1 2100540113 DQLKULLPTSQGGV-FQEVSTJZSA-N 400.442 2.639 0 50 HFAA NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 4762387 XAWFZEHAYVXQHS-IBGZPJMESA-N 413.474 2.863 0 50 HFAA COC(=O)C1=C(C(=O)OC)[C@@H](c2cc(Cl)ccc2O)c2sc(=O)[nH]c2S1 9185121 MTISMAGUQKTMPF-SECBINFHSA-N 413.860 2.633 0 50 HFAA CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 11819278 MYCOYMPKLKDWMD-UHFFFAOYSA-N 421.461 2.619 0 50 HFAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2coc4c2C(=O)CCC4)O3)nn1 11996536 RNEUTVUVWGSXJT-OAHLLOKOSA-N 419.437 2.998 0 50 HFAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCCC[C@H]2CO)c1 11998637 VNWZEMLRUYXYKS-SFHVURJKSA-N 417.550 2.726 0 50 HFAA CN(CC[C@H]1CCCCO1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 12049842 IDALFGGUDBYPQY-MRXNPFEDSA-N 401.463 2.739 0 50 HFAA O=C(Cc1cccs1)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 12315732 VVGIGYIHRSBYEC-UHFFFAOYSA-N 414.527 2.833 0 50 HFAA COCCc1nc2ccc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)cc2o1 12715447 HEDGCKGQODOHLZ-UHFFFAOYSA-N 400.431 2.973 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)NC[C@@H]4CCS(=O)(=O)C4)cc3o2)cc1 14974764 KJMJEIBDTLKTPP-HNNXBMFYSA-N 414.483 2.592 0 50 HFAA CCCS(=O)(=O)c1ncc(CN2CCc3ccccc3C2)n1C[C@@H]1CCCO1 15068767 RNOJKXYTWBMQDV-FQEVSTJZSA-N 403.548 2.804 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 100741729 HKFNTKFCOAUOFV-QFIPXVFZSA-N 421.497 2.742 0 50 HFAA O=C1CC[C@@]2(C(=O)O)N1c1ccc(Cl)cc1-c1nc(=O)c(-c3ccccc3)nn12 170620069 AGPLKNNQEURACI-HXUWFJFHSA-N 408.801 2.504 0 50 HFAA C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12 252470059 WPBZOXULLMVBCB-ZCZYJYACSA-N 418.449 2.719 0 50 HFAA biogenic COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@H]3O)c2)cc1 252513425 ZUMDCMFLNOFUEQ-VQTJNVASSA-N 418.515 2.554 0 50 HFAA COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)c1C2 252570388 WPRZBWYTAKIREU-RDTXWAMCSA-N 410.518 2.992 0 50 HFAA NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 750091316 UUIVUMFEKXMQRR-UHFFFAOYSA-N 423.288 2.868 0 50 HFAA O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)CC1 779872934 SODQIHZLTLFJMO-UHFFFAOYSA-N 424.526 2.519 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)C[C@@H]3CCCCN3C)CC1)OCC2 1704345141 WEHIBIRAPYPQOZ-SFHVURJKSA-N 402.535 2.969 0 50 HFAA CCc1ocnc1C(=O)N1CC[C@@]2(CN(Cc3nc(C(C)C)cs3)CCO2)C1 1857683917 QYDKLVNGPQKOQC-HXUWFJFHSA-N 404.536 2.934 0 50 HFAA CC(C)n1cc(-n2ccnc2-c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cn1 1857694764 WTBUZRIOKUQXCD-FQEVSTJZSA-N 409.490 2.991 0 50 HFAA COc1ccccc1CCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1875251001 KAWAELCHGGMGDM-LGVFNWMJSA-N 406.482 2.929 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N(CCc1ccccc1)Cc1ccccc1 1875253895 BBRSJNMVYWKXHA-UHFFFAOYSA-N 415.497 2.930 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)O[C@@H]3CCCN(CC(F)(F)F)C3=O)ccc21 1875371889 OXPMDRBEMASWNH-MRXNPFEDSA-N 410.392 2.862 0 50 HFAA NC(=O)Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)cc1 2325873892 XXRNVNFCJYDOJZ-UHFFFAOYSA-N 407.455 2.732 0 50 HFAA CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 1074124 KLMNDDFXBRKMPP-UHFFFAOYSA-N 401.513 2.681 0 50 HFAA COc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl 2856019 ADQDKKFZLYNTFC-MRXNPFEDSA-N 422.890 2.975 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6703037 XFNPKVFMOQNCEC-HXUWFJFHSA-N 409.511 2.952 0 50 HFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697185 CNOJZQBZQNCSNZ-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA Cc1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2=O)cc1 12091588 AALRSQKILNZJRN-UHFFFAOYSA-N 423.904 2.773 0 50 HFAA COC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 12198031 HSSVDJANRONHQO-SFHVURJKSA-N 404.507 2.726 0 50 HFAA O=C(CCC1CCN(C(=O)CCCN2CCCC2=O)CC1)NCc1ccc(F)cc1 12582965 NTDYFVXLLCZFRS-UHFFFAOYSA-N 417.525 2.863 0 50 HFAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCN(C(=O)c2cccs2)CC1 12591154 MXFXQPWQJHBUCL-UHFFFAOYSA-N 415.906 2.640 0 50 HFAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)Cc1cccs1)CC2 14534272 AFKZEWCYRLLHGG-UHFFFAOYSA-N 410.499 2.692 0 50 HFAA COc1ccccc1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 20407872 PJNBVRCOAAYWDS-UHFFFAOYSA-N 421.497 2.866 0 50 HFAA CCOc1ccc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cc1 20614255 SBWCZIGTOCPEAH-UHFFFAOYSA-N 402.314 2.885 0 50 HFAA Cc1nccn1-c1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)ncn1 67604659 SWIGCNDWAQSICG-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)CC1 104526085 XTLWVZOVNBAYFT-XMMPIXPASA-N 411.594 2.614 0 50 HFAA COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1COC2=O 169757980 NSMSWSAPDBUIKO-NRFANRHFSA-N 421.453 2.828 0 50 HFAA CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@@H](CO)OC[C@H]3C)cc2)cc1 252477442 OBBSAAAUDXLCMQ-BEFAXECRSA-N 407.488 2.648 0 50 HFAA CC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 252537621 LVJMHKAOEWMYBF-LJQANCHMSA-N 418.501 2.972 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc5c(c4)OCCO5)c3CO2)cc1 263615415 CGZFFUSMJWFULG-LJQANCHMSA-N 408.414 2.582 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cc2)n1 482424773 QRDYTRAAQMAFSJ-UHFFFAOYSA-N 415.490 2.891 0 50 HFAA C[C@]1(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)NC(=O)NC1=O 487462728 PIYSFKQORCMVAC-OAQYLSRUSA-N 419.547 2.733 0 50 HFAA Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857670377 LCPILUQJHOBRRY-JOCHJYFZSA-N 405.458 2.969 0 50 HFAA COCCN=c1[nH]c(C2CC2)nc2c1CC[C@@]21CCCN(Cc2c(C)noc2C)C1 1875245240 QWBFUVNDWNXDCJ-HSZRJFAPSA-N 411.550 2.919 0 50 HFAA O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CC(c3ccncc3)=NO2)cc1O 1875264430 PYAMHQQBSOMFKP-HXUWFJFHSA-N 408.458 2.981 0 50 HFAA Cc1ccc(CCNC(=O)C(F)(F)S(=O)(=O)NCCc2ccc(C)cc2)cc1 1875344996 RFRAHRFHVPXJAH-UHFFFAOYSA-N 410.486 2.717 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CC[C@H](C(=O)OCC)CC2)(c2ccccc2)CC1 1875369493 RMJRLRSYJIFKDB-KESTWPANSA-N 412.530 2.971 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)CNC(=O)c3ccccc3)CC1)OCC2 2356152065 PIQOQOUGVAMFPK-UHFFFAOYSA-N 424.497 2.524 0 50 HFAA COCc1ccc(CN2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)o1 12298265 MDZDLMYKISTUTR-MRXNPFEDSA-N 408.520 2.625 0 50 HFAA CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 13611696 UUISCHRTVBITKG-KRWDZBQOSA-N 410.518 2.857 0 50 HFAA O=C(c1cn[nH]c1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14956589 OGMFHCYJFARLIG-HSZRJFAPSA-N 408.546 2.910 0 50 HFAA CCCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 16649083 KXEMXMORWKWTGQ-UHFFFAOYSA-N 401.532 2.727 0 50 HFAA CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 17093242 GVXVSGWMMQPBMB-UHFFFAOYSA-N 422.572 2.724 0 50 HFAA O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22037184 MWVZBFVGSJDJHC-SFHVURJKSA-N 404.894 2.626 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cc(C)cc(C)c1)CC2 23214709 CGDQHBCRVBQPJF-UHFFFAOYSA-N 409.530 2.768 0 50 HFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100570820 LWBLSSSDZXEQSO-MRXNPFEDSA-N 400.818 2.749 0 50 HFAA COCc1noc(CN2CCN(C(=O)CCn3ccc4cc(Cl)ccc43)CC2)n1 170602515 JYKSRIMXAVMBPD-UHFFFAOYSA-N 417.897 2.559 0 50 HFAA CCN(CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)CC(=O)Nc1c(F)cccc1F 240225427 DHSLBSSAOMTLSN-JJRVBVJISA-N 424.492 2.876 0 50 HFAA COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)c1C2 252570387 WPRZBWYTAKIREU-KSSFIOAISA-N 410.518 2.992 0 50 HFAA COC(=O)c1cn(-c2cccc([C@H](O)c3ccc(OC)cc3)c2)cc2c(=O)[nH]nc1-2 253412195 QEJONZHAJCAYKK-HXUWFJFHSA-N 405.410 2.542 0 50 HFAA COc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1Cc1ccc(F)cc1)OCC(=O)N2 429868739 OIUFZCJIAPOCBQ-OAHLLOKOSA-N 420.462 2.561 0 50 HFAA COc1ccc([C@H](CC(=O)Nc2cc(C)nn2C2CCN(C)CC2)NC(C)=O)cc1 430455897 MSZZSXIKOMRYGH-FQEVSTJZSA-N 413.522 2.673 0 50 HFAA O=C(N[C@H]1CCCc2c1cnn2CCO)C1=Cc2ccccc2O[C@H]1C(F)(F)F 1466632768 PLXSLDCWCKTZAE-MAUKXSAKSA-N 407.392 2.776 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3cscn3)C[C@H]1CN(Cc1nc3ccccc3[nH]1)C2 1772804179 IKKUHEAMKZSMNC-BTYIYWSLSA-N 411.531 2.818 0 50 HFAA COc1ccc(Cc2nc(-c3ccn4ncnc4c3)n([C@H]3CCOC3)n2)cc1OC 1857667567 NDQVDIFAGKPCAP-INIZCTEOSA-N 406.446 2.557 0 50 HFAA O=C(c1conc1-c1ccccc1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857735895 VJQDTJGOMHYLNT-REWPJTCUSA-N 410.445 2.909 0 50 HFAA OCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2ccccc2)C1 1875248268 HAUWUOHTAIJHEY-RUZDIDTESA-N 415.541 2.845 0 50 HFAA C[C@@H]1C(=O)N=C(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)NC1=O 1875254462 SLEQTNSIDVVFOO-UHFFFAOYSA-N 400.438 2.713 0 50 HFAA COc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)cc2c1 1875263615 HKRCNARRCLSHFT-UHFFFAOYSA-N 417.368 2.532 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)CC1 1875372000 TUHYDEVDOUULPW-ACRUOGEOSA-N 410.514 2.924 0 50 HFAA C=CC(=O)NCCC(=O)N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1875372181 YOXOOGISLXVMPX-WYRIXSBYSA-N 409.845 2.797 0 50 HFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3c[nH]c(=N)nc3-c3ccccc3)C1)CC2 2356155224 CHAZWGYXGCRYEE-HSZRJFAPSA-N 400.486 2.775 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 4674985 OXJAFTBEONSMSA-GOSISDBHSA-N 416.455 2.564 0 50 HFAA Cn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccco1 4736056 VCCBGMVUFHYWHH-UHFFFAOYSA-N 401.467 2.655 0 50 HFAA CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)[C@@](O)(C(F)(F)F)C1 6526427 ODAUZDJEVGVPGZ-CPFSXVBKSA-N 411.222 2.758 0 50 HFAA CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc21 6719426 UCJKZMMQWNRWCL-UHFFFAOYSA-N 419.453 2.916 0 50 HFAA COc1cccc(CN2CCC[C@H](NC(=O)CN3CCOc4ccccc4C3)C2)c1 12298113 XBHOEABCESZZQG-NRFANRHFSA-N 409.530 2.670 0 50 HFAA Cc1nc(CN2CCC(N3CCC(C(=O)NCCc4ccccc4)CC3)CC2)c[nH]1 12317519 FXZBVRIJUCTNHS-UHFFFAOYSA-N 409.578 2.753 0 50 HFAA O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1ccccn1 14978781 JGIPAGQSZDFTJU-KRWDZBQOSA-N 409.515 2.923 0 50 HFAA COc1cc(C(=O)N[C@H](C)Cc2cccnc2)ccc1OC1CCN(C(C)=O)CC1 15073106 LCDSECWYAVDHNS-MRXNPFEDSA-N 411.502 2.841 0 50 HFAA COc1cc(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1O 19789315 AXLXABGACRWGFM-UHFFFAOYSA-N 420.893 2.786 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3ccccn3)CC2)CC1 20109863 HCYMHXZPYPNOHP-UHFFFAOYSA-N 407.562 2.827 0 50 HFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccccc4)CC3)c2c1 20177546 RNMONZICZOHGPL-UHFFFAOYSA-N 421.497 2.948 0 50 HFAA CC(C)Cn1c(CN(Cc2ccccn2)C[C@H]2CCCO2)cnc1S(C)(=O)=O 55109359 SGSIQWSMIDCBHB-LJQANCHMSA-N 406.552 2.519 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1O 72437757 RLOLMTKKOFWBKT-RTWAWAEBSA-N 422.591 2.771 0 50 HFAA COc1cccc(CC(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)c1 169749817 XRDAHAMQXTYQBP-UHFFFAOYSA-N 406.446 2.770 0 50 HFAA COc1cccc2c1OC[C@H](NC(=O)N(C)[C@H]1CCCN(c3ccccc3)C1=O)C2 170628818 REVHOYUUCQINCX-MJGOQNOKSA-N 409.486 2.836 0 50 HFAA COCC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C(=O)OC 240871469 IKTZCOFDPHQTLK-GOSISDBHSA-N 413.499 2.935 0 50 HFAA Cc1cc(C)n2ncc(-c3nccn3C[C@H](c3cccnc3)N3CCOCC3)c2n1 1857684026 WGCOZLLXYDSJKK-HXUWFJFHSA-N 403.490 2.678 0 50 HFAA Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2C[C@H](C)c3ccccc32)c1 2325712328 ZHOCQZAFYWFADT-QFBILLFUSA-N 414.527 2.678 0 50 HFAA COC[C@@]1(C(=O)N[C@]2(C(=O)O)CCc3cc(Br)ccc3C2)C=CCC1 2325829525 LOHXYGCXBMBUGP-RTBURBONSA-N 408.292 2.860 0 50 HFAA CC1CCN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2CCC[C@H]2O)CC1 2325839138 KCIQVHCUSFPCPQ-QZTJIDSGSA-N 400.548 2.988 0 50 HFAA COc1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(OC)c1 2356169392 AIBZDOKIQASONA-QQMNAOGKSA-N 416.518 2.605 0 50 HFAA COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1 630817 HBUPWRFCKBIDHD-UHFFFAOYSA-N 400.456 2.697 0 50 HFAA O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 893108 ILCJVOXTWSPOCR-UHFFFAOYSA-N 410.495 2.752 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1058206 KVBHZRXHAPNYGP-UHFFFAOYSA-N 416.499 2.910 0 50 HFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)c1OC(C)C 1075282 LWMZIZYHRKJGML-RDTXWAMCSA-N 404.463 2.833 0 50 HFAA Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)c(C)c1Cl 2776968 YFSATAMDHMEDAQ-UHFFFAOYSA-N 405.911 2.882 0 50 HFAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1OC 5058257 OCIRIPZRDJXYIJ-NDEPHWFRSA-N 406.504 2.975 0 50 HFAA COc1cccc(OC)c1C(=O)NCCCCNC(=O)c1c(OC)cccc1OC 5527489 XUFGJGNMZJVISE-UHFFFAOYSA-N 416.474 2.661 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)NCc3nnnn3-c3ccc(C)c(C)c3)CC2=O)cc1C 8831352 UDLHHFWTZYDTBY-GOSISDBHSA-N 418.501 2.565 0 50 HFAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2 12149198 FCWLLNNJKNUNSH-KRWDZBQOSA-N 403.552 2.580 0 50 HFAA Cn1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 12301568 SMNPHYFNAFAMCL-JOCHJYFZSA-N 423.517 2.537 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1Cc1ccccc1 12301756 LXHIELBNCBUSMX-UHFFFAOYSA-N 402.520 2.981 0 50 HFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12447321 KNAZWLQHCQJYEO-KRWDZBQOSA-N 409.534 2.513 0 50 HFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(N(CC)CC)cc1 13154650 PINLPLCLAXZGLQ-UGTOYMOASA-N 419.518 2.699 0 50 HFAA CCC(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(OC)c2)C1 14532305 KLFGDJUKJKIXBA-QFIPXVFZSA-N 410.514 2.904 0 50 HFAA O=C(NC1c2ccccc2-c2ccccc21)c1ccc(CN2CCOCC2)[nH]c1=O 14988717 RGKAOFRSKVRNSO-UHFFFAOYSA-N 401.466 2.707 0 50 HFAA CN(C)S(=O)(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1 15003550 KCXQPVJSNDIAAH-UHFFFAOYSA-N 423.901 2.930 0 50 HFAA CCc1n[nH]c(C(=O)N2CCC(CCC(=O)NC[C@H]3CCCN3CC)CC2)c1C 15078581 LPBRKBUNONUPNA-GOSISDBHSA-N 403.571 2.513 0 50 HFAA COCc1nnc(NC(=O)CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)s1 67757377 NIJJGHQMWTZKPB-UHFFFAOYSA-N 400.508 2.687 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 136207260 MTFVELSRMDRANT-AJCKKNKHSA-N 415.081 2.675 0 50 HFAA COc1ccc2c(c1)CCc1c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n[nH]c1-2 225412307 SNRYBEQUNMRPHT-ZBFHGGJFSA-N 416.481 2.605 0 50 HFAA biogenic C[C@H](C(=O)Oc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239121215 JNDOJHQDBIVNRE-WHRSFKOUSA-N 416.271 2.796 0 50 HFAA CC(C)[C@@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 252532936 FMDYFZIGNXYNRH-GOSISDBHSA-N 405.458 2.848 0 50 HFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2C[C@H]2CCCN(c3ncccn3)C2)cc1 299782716 GFZCWQIAIIVGIU-SFTDATJTSA-N 423.561 2.873 0 50 HFAA O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1CCCN(c2ccccn2)C1 299800407 WEKOGMHVWGFBSF-RBUKOAKNSA-N 415.497 2.875 0 50 HFAA COc1ccc2nc(CNC(=O)C34C[C@@H]5C[C@H](C3)CC(n3cncn3)(C5)C4)[nH]c2c1 670450648 QPGVDBJLJATQLK-BXBLUCELSA-N 406.490 2.775 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)C(C)C)C1 823357842 FMGFPBLKDUCVGC-AWEZNQCLSA-N 402.944 2.972 0 50 HFAA CCn1c(C)cc2cc(NC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc21 823582616 QPSMSLIXQUPYDR-LJQANCHMSA-N 403.548 2.807 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088380 TVKNEPZVYDVUHM-IPJJNNNSSA-N 406.530 2.891 0 50 HFAA O=C(Cn1cccn1)N1C[C@@H]2CN(c3nccs3)C[C@]2(CCc2ccccc2)C1 1772815304 GGMYJIWVAGRBCL-KNQAVFIVSA-N 407.543 2.937 0 50 HFAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4cccc5ccccc45)[C@@H]2CC(=O)N13 1857727823 BBJLNLJTSZGTGJ-DSKINZAPSA-N 400.500 2.586 0 50 HFAA Cc1nc(O)c2cc(NS(=O)(=O)c3c(C)nn(CC(F)(F)F)c3C)ccc2n1 2325825861 FQDVGZKZIPEKJD-UHFFFAOYSA-N 415.397 2.820 0 50 HFAA NCc1nc2ccc(NC(=O)C[C@@H](CN)c3ccc(Br)s3)cc2[nH]1 2325861400 OSBRUBSYSKHUAD-VIFPVBQESA-N 408.325 2.917 0 50 HFAA CC[C@H]1c2ccccc2CN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896204 SVVLDXYXHQLBCT-PMACEKPBSA-N 417.465 2.555 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(-n4cccn4)c3)C1)CC2 2356139217 OEWILNJNRXZJKB-HSZRJFAPSA-N 402.502 2.849 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)C2(Cc3ccccc3)CNC2)CC1 2356153350 CGKXTFJSXVRERZ-UHFFFAOYSA-N 406.526 2.918 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356164525 WIHFZPKVFFGILU-FQEVSTJZSA-N 403.504 2.637 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1C(=O)O 814811 WTWWXVRCQBIQPN-SFHVURJKSA-N 405.414 2.913 0 50 HFAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 2855315 UXIMPTAWCJJGQK-OAHLLOKOSA-N 421.906 2.768 0 50 HFAA biogenic CCS(=O)(=O)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 4723817 VSWDVRLYRZDHKX-UHFFFAOYSA-N 407.446 2.978 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCC1C2CC3CC(C2)CC1C3 11774949 DOQPQXXKGOHZTA-YAGUBDCTSA-N 423.601 2.998 0 50 HFAA CCC(=O)Nc1cc(CNC(=O)c2ccccc2-n2cccn2)cc(C(=O)OC)c1 12205799 MQQKMXCGLJFPGW-UHFFFAOYSA-N 406.442 2.937 0 50 HFAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cccc(O)c4)CC3)C2=O)cc1 14539116 PHBSNMBQDHZGRU-UHFFFAOYSA-N 409.486 2.830 0 50 HFAA O=C1CN(C(=O)c2cncs2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1 14732272 UHSCOQDMRSVXIT-LJQANCHMSA-N 422.510 2.608 0 50 HFAA CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)CC1 19908702 NHMPGRLQCWNOKN-UHFFFAOYSA-N 407.449 2.651 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(F)ccc3-n3cccn3)C2)CC1 20363517 NCRSEOPRTDDGBB-FQEVSTJZSA-N 415.513 2.750 0 50 HFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169777983 YLNSVHFHTODCHH-ZDUSSCGKSA-N 417.267 2.740 0 50 HFAA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)COc3cccc(Cl)c3)C2)c(=O)c1 328606901 TWXGZSWPODTMAK-QGZVFWFLSA-N 418.925 2.984 0 50 HFAA COc1ccnc(N2CC[C@]3(CCCN(Cc4cccc(OC)c4OC)C3=O)C2)n1 426615165 OTMQQSPOYPUFQE-JOCHJYFZSA-N 412.490 2.522 0 50 HFAA CC(C)c1nnc(NC(=O)c2cc(F)ccc2NC(=O)N2CCN(C)CC2)s1 886025706 VWCMWCIFJMNROE-UHFFFAOYSA-N 406.487 2.832 0 50 HFAA Cc1cnccc1N1CCCN(C(=O)CCCn2cnc3ccccc3c2=O)CC1 952974669 MUWITUCWXZYUJR-UHFFFAOYSA-N 405.502 2.619 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC[C@@H](OCc2ccccn2)C1 952984925 YPOOYMPEVZEAIU-MRXNPFEDSA-N 402.476 2.605 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C(=O)c2nc(O)nc3ccccc23)CC1 1506401533 SRFCJKMBTLIXHS-UHFFFAOYSA-N 404.470 2.547 0 50 HFAA COCc1cc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)[nH]n1 1857707531 BRUWGGQOKYSFCN-UHFFFAOYSA-N 403.870 2.884 0 50 HFAA CO[C@@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1 2332238898 PCNNSKDNXXDTBT-LBEKAKSKSA-N 422.547 2.814 0 50 HFAA CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CC(=O)NN1Cc1ccccc1 937076 IGMOUVMIKURCBR-INIZCTEOSA-N 401.488 2.731 0 50 HFAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC(C)=O)c(OC)c3)N2C1=O 2246265 KNWAKBGUWLXKFF-WBVHZDCISA-N 418.471 2.832 0 50 HFAA CCc1cc(C(=O)OC)c(NC(=O)CSc2nnc(C(C)(C)O)n2CC)s1 6450381 HVINCFSEZGXSPN-UHFFFAOYSA-N 412.537 2.667 0 50 HFAA CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)CC1 6706444 XNRDFGBBIQRHGP-UHFFFAOYSA-N 415.515 2.993 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 6729117 FMMCFDPANROJIH-INIZCTEOSA-N 410.536 2.507 0 50 HFAA O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N1CCC(c2ccccc2)CC1 12587825 RZHUOHIXVQYTJI-DEOSSOPVSA-N 417.553 2.751 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 67338806 JBMPWQIXTBSDLD-UHFFFAOYSA-N 415.559 2.640 0 50 HFAA C[C@H](C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1)n1cccc1 77392290 ZCWWDEDLCADOCH-MRXNPFEDSA-N 410.499 2.830 0 50 HFAA CC(C)C[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 137681896 BZXBUIDYQNGCMI-WNRNVDISSA-N 417.575 2.833 0 50 HFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169777981 HSBTVJQOGFKDRF-LBPRGKRZSA-N 422.367 2.876 0 50 HFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 170620705 BQWCEMRLWUZVAK-QGZVFWFLSA-N 400.504 2.589 0 50 HFAA Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 239025428 BOYGSTOYJMINRC-QWRGUYRKSA-N 409.250 2.840 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(OC)c(OC)c4)c3CO2)cc1 263617891 QFSYGOSOQLOTHW-FQEVSTJZSA-N 424.457 2.505 0 50 HFAA Cc1nc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c2ccccc2n1 299792608 GOSWJMNIEIZDJG-HXUWFJFHSA-N 423.561 2.700 0 50 HFAA CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(C)c2)c1C 952981060 KBFKFGQBSFADKN-CQSZACIVSA-N 410.503 2.758 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@]2(CCc2ccccc2)C1 1772707602 WGKMYAMVTQYCTP-GCJKJVERSA-N 412.559 2.615 0 50 HFAA C[C@H](O)c1nc2cc(-n3ccnc3-c3cnc(N4CCOCC4)s3)ccc2n1C 1772812187 IGLRXQMLPNRTKU-ZDUSSCGKSA-N 410.503 2.772 0 50 HFAA CC(=O)N1C[C@H]2CN(C(=O)c3cc4ccc(Cl)cc4n3C)C[C@]2(CCC(=O)O)C1 1772814290 RBDIAEZAXSHLSM-BTYIYWSLSA-N 417.893 2.617 0 50 HFAA Cc1cc(C)n2ncc(-c3nccn3C[C@@H](c3cccnc3)N3CCOCC3)c2n1 1857684025 WGCOZLLXYDSJKK-FQEVSTJZSA-N 403.490 2.678 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857714238 NQNQZPSJBVGXAQ-KRWDZBQOSA-N 421.526 2.578 0 50 HFAA O=C(NC[C@H]1CC2(CC2)CN1C(=O)c1cc(O)cc(Cl)c1)c1cccc(O)n1 1875331360 XBGSTAZLLDUIFM-CQSZACIVSA-N 401.850 2.571 0 50 HFAA CCn1cc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2ccc(COC)o2)c(C(C)C)n1 2325828770 QQNIPXGPVOJPCS-IAGOWNOFSA-N 402.495 2.847 0 50 HFAA Cc1ncsc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2onc(Br)c2C)C1 2325829981 XHSTWIMCARKCKL-OIBJUYFYSA-N 413.297 2.543 0 50 HFAA CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C(N)=O)c1C 997763 JDGYSVFJVJQJJC-UHFFFAOYSA-N 401.238 2.940 0 50 HFAA CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 1190428 XRLZKDZVYAVWNB-LBPRGKRZSA-N 407.637 2.957 0 50 HFAA Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)NCC(=O)O)cc1 2982893 FFDKUXIFJYNOPQ-MHWRWJLKSA-N 417.259 2.729 0 50 HFAA Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)CC2)n1 11839598 FFTQCJUFZXPRQM-LJQANCHMSA-N 410.493 2.617 0 50 HFAA COCCC(=O)Nc1ccc2c(c1)CN(C(=O)CCn1cnc3ccccc31)CC2 11934943 KZVKOYKJDJRVKY-UHFFFAOYSA-N 406.486 2.986 0 50 HFAA CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O 12205599 OAZIWMPUHWRPKS-HSZRJFAPSA-N 417.525 2.567 0 50 HFAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CCC1=C(C)CCCC1(C)C)CC2 14535736 HBUHJALOKSNFQQ-UHFFFAOYSA-N 404.555 2.507 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(N[C@@H](C)CC(C)(C)OC)cc12 14540277 MONNXPPNZDJBSV-LBPRGKRZSA-N 406.483 2.560 0 50 HFAA Cc1ccccc1-c1cccc(CN2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)c1 15008178 CCUHMSWNJAKBDD-NRFANRHFSA-N 419.529 2.813 0 50 HFAA O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@@H](CN2CCOCC2)C1 19638084 INKDBCNOGTWMLL-HNNXBMFYSA-N 421.444 2.716 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1 55042289 HEKRIJMGGPLBEH-QGZVFWFLSA-N 402.470 2.686 0 50 HFAA O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)[C@@H]1CCOC1 72474218 XDJUKQDUTOKPFS-OAHLLOKOSA-N 410.449 2.976 0 50 HFAA CCN(C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCOCC1 82106627 VJIODIXCKHAQSS-NRFANRHFSA-N 414.594 2.786 0 50 HFAA O=C(N[C@H]1C[C@@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 170621655 WBBMUUOWMOLDGE-ZBFHGGJFSA-N 402.296 2.627 0 50 HFAA C[C@@H](NC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc12 242263275 XXPDXLVBYQQRIA-GCJKJVERSA-N 409.530 2.730 0 50 HFAA CC(C)C[C@H](C(=O)NCCCN(C)c1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248017576 QNQLUEUTNXYVKQ-NJDAHSKKSA-N 411.546 2.995 0 50 HFAA C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 252512337 PJYWETIMRSHHQY-XUMLPFHTSA-N 418.563 2.576 0 50 HFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)Nc1nc(CCC2CCCC2)n[nH]1 252549963 RYAGRORJRNCXMB-GRDNDAEWSA-N 406.556 2.592 0 50 HFAA O=C(CCC(=O)N1CCO[C@H](c2ccccc2)C1)N1CCO[C@H](c2ccccc2)C1 334160820 MYQCPNDKKAVRNP-VXKWHMMOSA-N 408.498 2.967 0 50 HFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc3ccccc23)CC1 823117544 KUDDZKLWEVKCIL-SFHVURJKSA-N 403.486 2.951 0 50 HFAA COc1nc2ccccc2nc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 952869122 XMONQGCBHRDFSC-ZDUSSCGKSA-N 406.442 2.953 0 50 HFAA Cc1nnc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)o1 1506405767 BUPCEIAWTUXRIA-UHFFFAOYSA-N 408.383 2.900 0 50 HFAA CC(C)c1ccc(-n2ccnc2SCC(=O)O[C@H](C)CNS(C)(=O)=O)cc1 1875261518 URSYDEVKZLMEEZ-CQSZACIVSA-N 411.549 2.569 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1875372166 YHPGURKYYXNTJI-UHFFFAOYSA-N 424.328 2.702 0 50 HFAA CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc21 2325776113 OIEAMJUIZOUJQG-UHFFFAOYSA-N 404.444 2.567 0 50 HFAA CCOC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 1060957 SOMSVKFJQFQRLT-VIFPVBQESA-N 402.505 2.670 0 50 HFAA CCOc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2ccc(F)cc2)cc1 2871170 WMXMCVYBOQUVAK-UHFFFAOYSA-N 424.494 2.572 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)OC 3471477 FKBIMYKSGZVXQT-BBRMVZONSA-N 421.515 2.842 0 50 HFAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 6731392 MLNWDLFBROZSAK-UHFFFAOYSA-N 416.499 2.979 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)NCc3nnnn3-c3ccc(C)c(C)c3)CC2=O)cc1C 8831357 UDLHHFWTZYDTBY-SFHVURJKSA-N 418.501 2.565 0 50 HFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)Cn2cncn2)CC1 11879129 BDRSMCJPAXTWEY-JOCHJYFZSA-N 411.550 2.506 0 50 HFAA CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 14980148 FUMLEVYYKBEBKN-LJQANCHMSA-N 400.498 2.778 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 15063517 KASQOOQTCQISHZ-UHFFFAOYSA-N 400.567 2.837 0 50 HFAA CN1CCC(N2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 20166067 QUSMPWLUHSTKSC-NRFANRHFSA-N 402.970 2.851 0 50 HFAA O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NC1CCN(Cc2ccccc2)CC1 32103292 HAILDVPYZTWKRM-FQEVSTJZSA-N 406.486 2.558 0 50 HFAA COC(=O)c1ccc(N2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)cc1 55211703 QJAUHKXJFDEDDK-UHFFFAOYSA-N 410.449 2.908 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc(N2CCCCC2)n1 64800390 DXQPJGWPUJSLOQ-UHFFFAOYSA-N 424.505 2.858 0 50 HFAA Cc1nnc(CN2CCC3(CC2)CN(CCCN(C)C2CCCCC2)C(=O)O3)o1 77393309 BLWRPVASQDKJPD-UHFFFAOYSA-N 405.543 2.819 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C3=C2C(=O)OC3)cc1 169758974 NFUODJVCSFFIEG-JOCHJYFZSA-N 417.465 3.000 0 50 HFAA COc1ccccc1CC(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770469 PSKLCIGMFHLHFM-UHFFFAOYSA-N 424.476 2.716 0 50 HFAA CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C(=O)OC)c1ccc(Br)cc1)CC2 229751750 PPFISGBDSLVTRJ-GVDBMIGSSA-N 412.324 2.915 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H](CC)CN1CC(C)(C)O 230288687 NLYBRWCUVSFPIP-GJZGRUSLSA-N 410.946 2.917 0 50 HFAA COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ncnn3C(C)C)cc2)c1 253421755 OUSLGRZFSMTMSW-UHFFFAOYSA-N 423.473 2.815 0 50 HFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 253429584 TTXMPCOYUDPFLC-SJORKVTESA-N 411.506 2.905 0 50 HFAA COc1ccc([C@H]2NC(=O)N(Cc3ncc(C)c(OC)c3C)C3=C2C(=O)OC3)cc1 263615462 CNKSYYBQPHYNPR-LJQANCHMSA-N 409.442 2.793 0 50 HFAA Cn1cc([C@@H](CO)Nc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)cn1 301821418 KBVXLLICXPSENT-OAHLLOKOSA-N 407.503 2.906 0 50 HFAA CN(C)[C@@H](CNC(=O)N1CCC2(CC1)CNC(=O)C2)c1cccc(C(F)(F)F)c1 470291947 VNAXEDLSTNAABA-INIZCTEOSA-N 412.456 2.620 0 50 HFAA CCCCCCn1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c(O)nc1=O 814281265 QBJPOBPCZODOJB-KRWDZBQOSA-N 420.535 2.696 0 50 HFAA C[C@@H](C(=O)NC1CCN(C2CCSCC2)CC1)c1nnc(O)c2ccccc12 1506417005 JGONINMNLMOCSA-CQSZACIVSA-N 400.548 2.915 0 50 HFAA C[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)c1nnc(O)c2ccccc12 1506421180 ZISINVGWVZBOEO-HNNXBMFYSA-N 404.470 2.878 0 50 HFAA C[C@H](CCNC(=O)N[C@H]1CCCN(c2ccc(Br)cc2)C1=O)N(C)C 1857530969 JIKITMUSEKMSIZ-CJNGLKHVSA-N 411.344 2.584 0 50 HFAA Cn1nc(C2CC2)cc1-c1nc(-c2ccc(C(N)=O)cc2)nn1[C@@H]1CCCC[C@H]1O 1857674348 DXJDYGGYDZMSKO-IEBWSBKVSA-N 406.490 2.798 0 50 HFAA O=C(NCc1cccc(O)c1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857719822 WICVZCZAYOVCAO-MRXNPFEDSA-N 408.483 2.504 0 50 HFAA O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356158123 XODXIBQBAUPOLJ-SEONNTABSA-N 408.477 2.700 0 50 HFAA COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 712104 ZCJISZKXPALHJK-VGOFMYFVSA-N 402.790 2.806 0 50 HFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)CC(=O)O)CC2)cc1 6731118 ZMKUGLOVVUPMOZ-HOTGVXAUSA-N 410.536 2.534 0 50 HFAA COc1ccc(CNCC(C)(C)CN(C)C)cc1OC[C@H](O)CN1CCCCC1 11947212 VDBQDBTVPVHUNY-HXUWFJFHSA-N 407.599 2.598 0 50 HFAA CCOC(=O)c1[nH]ncc1CN1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 12201146 FXIVLUMFRMGFMM-HNNXBMFYSA-N 401.463 2.699 0 50 HFAA CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCc2ccc(OC)cc2)C1 13322697 BFKGOOJJIMZADY-HNNXBMFYSA-N 410.565 2.721 0 50 HFAA COC(=O)CN(C)C(=O)Cc1c2c(n(Cc3ccc(F)cc3)c1C)CCCC2=O 14972336 GIQVRTVGJYUDIE-UHFFFAOYSA-N 400.450 2.677 0 50 HFAA COc1ccc(CN(CCO)Cc2ccccc2)cc1OC[C@@H](O)CN(C)C(C)C 19146914 FOOWJMHHSASREZ-QFIPXVFZSA-N 416.562 2.770 0 50 HFAA CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 19782414 JAKADISEQLFGPI-FQEVSTJZSA-N 411.889 2.997 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1Cc1ccccc1 32511700 BGIGUTFRPLCUIX-SFTDATJTSA-N 401.938 2.835 0 50 HFAA COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c1 49547790 ANYRTLJPGBXFLN-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N(C)Cc3ccccc3)CC2)cc1 139149992 ARPANAMTKUMGAN-UHFFFAOYSA-N 401.532 2.990 0 50 HFAA CCC[C@H](C(=O)OCC)S(=O)(=O)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 242197039 XHGTWSFVYCJASJ-MISXGVKJSA-N 405.875 2.760 0 50 HFAA CCc1cc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc(N2CCOCC2)n1 1158089058 PWXVMKZAWJUIHO-UHFFFAOYSA-N 410.522 2.984 0 50 HFAA CN(C)c1noc(CCC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)n1 1464556384 OCMFABPHCVQNHY-UHFFFAOYSA-N 405.458 2.910 0 50 HFAA COc1cccc([C@H]2CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2)c1OC 1506406058 YOQCFKOXKITHMP-IBGZPJMESA-N 424.497 2.806 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704338611 VTDDYCCHIDFXNH-NVXWUHKLSA-N 410.923 2.978 0 50 HFAA N[C@@H]1CCc2nn(Cc3c(Br)cccc3Br)c(=O)cc2C1 1875347525 WPSUVPXUWAXKQU-SNVBAGLBSA-N 413.113 2.633 0 50 HFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3cnn(-c4ccc(F)cc4)c3)cn12 1940195129 FSVJHAPQPBMVFJ-IBGZPJMESA-N 408.437 2.674 0 50 HFAA Cc1cc(C)c(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(C)c1 2082945811 GFUYIYSWMUOKPN-QGZVFWFLSA-N 424.522 2.916 0 50 HFAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CN1Cc1cccnc1 2356163818 RVCJSVLBCMAKSX-KRWDZBQOSA-N 411.527 2.582 0 50 HFAA CCc1c(C)sc(NC(=S)N2CCN(c3ncccn3)CC2)c1C(=O)OC 1121750 TXKHVNVPLSXBNL-UHFFFAOYSA-N 405.549 2.715 0 50 HFAA CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 1149413 YMWQJIQRRNBZFV-UHFFFAOYSA-N 417.531 2.792 0 50 HFAA O=C(NCCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 2133521 HXHNZVXIZDZJMU-UHFFFAOYSA-N 420.057 2.948 0 50 HFAA O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(N2CCOCC2)cc1 4335127 SKAURIYKRZYAOX-WWKNUYBVSA-N 409.530 2.714 0 50 HFAA CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@H]1c1cc(C)ccc1C 4687051 WALGMGXGYSBSGI-AWEZNQCLSA-N 419.532 2.701 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)cc1 6702818 CLXBKZWDVKGTKV-UHFFFAOYSA-N 421.607 2.821 0 50 HFAA CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(OC)cc1 9010402 QLIJGJIDWPFYHV-HNNXBMFYSA-N 420.516 2.819 0 50 HFAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@@H](CNC(=O)CCn2ccc(C)n2)O3)n1 11881872 VBICQUHCQATAIC-SFHVURJKSA-N 409.465 2.914 0 50 HFAA Cc1c(C(=O)N(C)Cc2ccon2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 11969402 DCSXMMHOSQDSLB-UHFFFAOYSA-N 400.442 2.997 0 50 HFAA Cn1cnnc1SCCNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 12439767 RMHTVBCXNNRHSK-UHFFFAOYSA-N 413.503 2.783 0 50 HFAA CN(Cc1cccc2ncccc12)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 13596207 MMEQGNABYRGQGF-JOCHJYFZSA-N 420.488 2.723 0 50 HFAA O=c1c2c3c(sc2ncn1CCCO)C[C@@H](NCCc1cccc(F)c1)CC3 14959898 CCEVCYQGXPGONW-INIZCTEOSA-N 401.507 2.669 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)CC1 14975091 DJCLFQJLLLQXKO-OAQYLSRUSA-N 400.567 2.546 0 50 HFAA CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 20029127 RCOXYMZPDULJST-FQEVSTJZSA-N 403.910 2.860 0 50 HFAA Cc1ccn(-c2ccc(NCCNC(=O)c3ccccc3Br)nn2)n1 77137477 PAYCLVUUFAUVEJ-UHFFFAOYSA-N 401.268 2.575 0 50 HFAA CCOC(=O)[C@@](C)(CNC(=O)c1ccccc1SCC(N)=O)c1ccccc1 170605697 JZXADNRKEVSFHJ-NRFANRHFSA-N 400.500 2.515 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1c1cc(C)nc2nc(C(F)(F)F)nn12 225813546 QGLINCGPSOVOPE-KGLIPLIRSA-N 414.476 2.902 0 50 HFAA C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H]1CC[C@H](N2CCCCC2)C1 408516789 YSLJVPMRIJLSGH-LLJLJFOGSA-N 424.545 2.509 0 50 HFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 952980325 GKDNRTMBTBOGTM-INIZCTEOSA-N 406.958 2.788 0 50 HFAA O=C1C[C@@H](CNCc2cc3ccccc3nc2N2CCOCC2)CN1C1CCCC1 952985578 CHJMOIQBQNWOFU-SFHVURJKSA-N 408.546 2.952 0 50 HFAA Cn1ncc2cc(S(=O)(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cnc21 1255234780 RDQARVBFCLJIFW-UHFFFAOYSA-N 422.392 2.974 0 50 HFAA COc1ccc(S(=O)(=O)NCCN2N=C(c3ccccc3)CCC2=O)cc1Cl 1506413642 KHXDJLMNTFRBKE-UHFFFAOYSA-N 421.906 2.654 0 50 HFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCC(Cn2cccn2)CC1 1857701492 QZDQRXMUEWTLEX-SFHVURJKSA-N 408.506 2.965 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCC4(COC)CCC4)CC3=O)sc2c1 1857723877 AJLWEWYUYNBWCE-CQSZACIVSA-N 417.531 2.981 0 50 HFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)Cc1ccc(C)cc1C 1875333979 SKLBSLMVDSMQPT-REWPJTCUSA-N 407.514 2.552 0 50 HFAA CC(=O)NC[C@@H]1CCCCN1C(=O)c1csc(=NC[C@]2(C(C)(C)C)CCCO2)[nH]1 1875361160 SIKFLCNYQJNYNZ-KKSFZXQISA-N 422.595 2.703 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1 1875371892 OYTZXMIUYNLAGC-QWHCGFSZSA-N 400.401 2.653 0 50 HFAA O=C(CCn1ccccc1=O)N1CC[C@@]2(C1)C(=O)N(CC1CCC1)c1ccccc12 2100544732 HESYAGZOJXIRLZ-DEOSSOPVSA-N 405.498 2.555 0 50 HFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 1051044 OEOALEHMLSGSHD-GOSISDBHSA-N 402.516 2.721 0 50 HFAA COc1cc(OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1 4744814 DIUKIFIMAAJMSG-NRFANRHFSA-N 423.469 2.658 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1CCc1ccccc1 11819605 XAVWCIAFIMDHEN-IBGZPJMESA-N 405.564 2.655 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCN2CCCO2)C1)NCc1ccc(F)c(F)c1 11932681 KJYTZDMKVANUHY-INIZCTEOSA-N 409.477 2.627 0 50 HFAA COc1ccc(CNCCn2ccnc2)c(OC[C@H](O)CN2CCCCCCC2)c1 12307340 UMDPHUFVAFYYRA-OAQYLSRUSA-N 416.566 2.687 0 50 HFAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(Cc2ccncc2)CC1 12434869 WNTLFOHFVIFMAU-UHFFFAOYSA-N 420.506 2.982 0 50 HFAA Cc1ccn(CC(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)n1 12582137 VAGSEUOVIWNNNN-UHFFFAOYSA-N 410.453 2.643 0 50 HFAA CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cccc(Cl)c2)CC1 12714552 XHBARSLCCCEWIS-UHFFFAOYSA-N 404.946 2.698 0 50 HFAA O=C(c1cccc(Cl)c1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 13595765 PLFABTPGXPLDGC-UHFFFAOYSA-N 419.953 2.515 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 13678367 IDFWZKFAGPDKIN-UHFFFAOYSA-N 407.923 2.982 0 50 HFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc3c(c1)OCO3)CC2 14537353 ONRFZVLWYJXDLD-MRXNPFEDSA-N 422.485 2.661 0 50 HFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccn1)NC1CCCC1 16624321 RUCULAQAZLZXLM-UHFFFAOYSA-N 409.895 2.973 0 50 HFAA CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OCC(N)=O 19691204 UIIIMQFYFTXLTD-MRXNPFEDSA-N 423.307 2.535 0 50 HFAA COc1ccc(COC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1OC 19901536 OVJWCPAKEGMWGY-GOSISDBHSA-N 404.482 2.543 0 50 HFAA O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82160496 VIHMGDQCEAFESK-OAQYLSRUSA-N 414.594 2.569 0 50 HFAA CN(CCc1cn[nH]c1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91665282 JKOGNLWKTFCDBD-UHFFFAOYSA-N 406.273 2.705 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 136669296 VZJGNOPVKAXTPB-YFNVTMOMSA-N 402.494 2.945 0 50 HFAA CCc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752447 HPMQPYDMDMSPJB-UHFFFAOYSA-N 420.444 2.996 0 50 HFAA Cc1ccc2c(ccn2CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 169772829 SIIOYJXGYOFPID-KRWDZBQOSA-N 401.470 2.995 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239135350 LCTXSWVICRZEPS-FFPWWWKNSA-N 421.493 2.799 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239309529 HQGWYDIJLPPTNX-ZOCXKQACSA-N 422.481 2.635 0 50 HFAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247856611 DANMZDFCDJOVND-IPRDPGLQSA-N 401.466 2.735 0 50 HFAA CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 252007935 QBDJJGBHPUPEBW-SFHLNBCPSA-N 414.594 2.746 0 50 HFAA COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(OC)c(OC)c4)ccn3n2)c1 263619475 YVHRYEYIPBTNLC-FQEVSTJZSA-N 421.453 2.922 0 50 HFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 328594953 GPZUNFDMGAAZIL-IAGOWNOFSA-N 408.424 2.933 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 409414667 NYCIXQRVEYXLSB-GWJPWWOOSA-N 413.518 2.779 0 50 HFAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cnn(-c2ccc(Br)cc2)c1 464299305 VSPDFDYOWXTBHO-UHFFFAOYSA-N 416.279 3.504 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 886025371 JXMAHBYQVQHOFQ-RBUKOAKNSA-N 402.454 2.802 0 50 HFAA Cc1cccc([C@H](CC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)NC(N)=O)c1 914643896 XNXZRXIWCBXLCD-KCMORZRYSA-N 415.534 2.967 0 50 HFAA COC[C@H]1CCCN(S(=O)(=O)NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C1 1506416574 WVRBKSVVWSNRPD-MFXISEHGSA-N 414.612 2.945 0 50 HFAA CNC(=O)CN(Cc1cnccc1C)C(=O)c1ccc(Br)c(C)c1F 1857529884 SGLMHAGESUZGKG-UHFFFAOYSA-N 408.271 2.988 0 50 HFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc2c(s1)CCOC21CCNCC1 2356148220 MKPMGUHYLMYDFY-SFHVURJKSA-N 411.571 2.904 0 50 HFAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nccs1)C[C@@H]2O)c1ccncc1 2356153585 NCWLDUVZAXFINH-VQQMMKBISA-N 406.511 2.549 0 50 HFAA Nc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)cn2)n1CCc1ccccc1 1076844 IESNXORZNLCUFK-UHFFFAOYSA-N 415.906 2.847 0 50 HFAA CCNc1nc(NC(C)(C)C)nc(Oc2ccc(C(=O)OCC(=O)OC)cc2)n1 1152629 VVPMFDWNFSJSIR-UHFFFAOYSA-N 403.439 2.636 0 50 HFAA COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)c1 2817476 PLRMOAYJFVDASM-SFHVURJKSA-N 406.232 2.879 0 50 HFAA O=C(CCC1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1)NCc1cccnc1 11753459 IWNKWXBFKKFBGD-OAQYLSRUSA-N 420.513 2.591 0 50 HFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1[nH]c(C)cc1C 11813838 FZSCIEGFKCUOSD-NRFANRHFSA-N 404.599 2.916 0 50 HFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@]1(Cc2ccc(C)cc2)CCC(=O)N1 12054358 LQFWOLXYZDSWMF-OFVILXPXSA-N 422.525 2.867 0 50 HFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1cc[nH]n1)CC2 14542036 UOZRVOFBZFHBKM-UHFFFAOYSA-N 409.490 2.593 0 50 HFAA COc1cc(CNCCOc2ccccc2)ccc1OC[C@H](O)CN(C)C(C)C 14958889 UETVXOQMVBJBPI-HXUWFJFHSA-N 402.535 2.944 0 50 HFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 23353705 NLAYBSDNSLPXMT-FQEVSTJZSA-N 413.610 2.854 0 50 HFAA Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)ncn2)c1C 72117248 VYYMHTXVVDUASU-UHFFFAOYSA-N 413.432 2.911 0 50 HFAA C[C@@H](CN1CC2(CCN(C(=O)CCCn3cncn3)CC2)OC1=O)c1ccccc1 77440914 GMSVDEDSAJFKML-SFHVURJKSA-N 411.506 2.675 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccccc4)CC3)n[nH]c2=O)cc1 169777245 QPQRARRNEGOALL-UHFFFAOYSA-N 406.486 2.577 0 50 HFAA CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 253429015 MFKJBHDOMSMGDC-CQSZACIVSA-N 421.924 2.565 0 50 HFAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 491069338 PFFHETCYZGDERS-MRXNPFEDSA-N 408.531 2.946 0 50 HFAA O[C@H]1CN(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1Cc1ccccn1 1616072227 VXHAEAPOZUOJFN-KXBFYZLASA-N 406.452 3.000 0 50 HFAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc3c(c1)CCCN3C(C)=O)C2 1704325031 CCLUBWCPLLYCMY-NHCUHLMSSA-N 406.548 2.956 0 50 HFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)CNc3cccnc3)CC2)n1 1857703176 MDPZSVZLBFKYOE-UHFFFAOYSA-N 408.428 2.775 0 50 HFAA O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(S(=O)(=O)C4CC4)C3)[C@H](Cc3cccc(F)c3)N12 2356135809 UNACHVWYPGTULR-LPWQTFTOSA-N 406.523 2.562 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 2356149657 OJHLNAVKXNBZTR-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)ncn1 945090 FLQPKRJLDNMYBA-UHFFFAOYSA-N 420.397 2.817 0 50 HFAA O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1nccs1 978530 SPLBALLYMRFGBM-UHFFFAOYSA-N 402.435 2.681 0 50 HFAA CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1093660 QHUJAQLVAPXLGV-UHFFFAOYSA-N 403.342 2.765 0 50 HFAA Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 6818412 NLCVDDKDMIAALK-UHFFFAOYSA-N 402.501 2.920 0 50 HFAA CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@@H]1c1ccc(OC)cc1 8964551 UPJWFCPUGNEZHJ-KRWDZBQOSA-N 422.437 2.803 0 50 HFAA biogenic CCN(CC)C[C@H](O)COc1ccc(CN(C)Cc2nccn2CC)cc1OC 11819917 LHHXGCVVLCDULD-IBGZPJMESA-N 404.555 2.625 0 50 HFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 11872811 PGEHFXFNVBFVTB-PMACEKPBSA-N 424.497 2.784 0 50 HFAA CC(C)CN1CCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)[C@@H](C)C1=O 12314241 KIKNOJXQUOTJSE-INIZCTEOSA-N 423.517 2.790 0 50 HFAA Cc1ccc(F)c(CN[C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)c1F 14750065 CONKUVSYCBNKJC-CQSZACIVSA-N 420.529 2.843 0 50 HFAA C/C=C(\C)C(=O)N1CCC([C@@]2(CCC)NC(=O)N(CC[C@@H]3CCCN3C)C2=O)CC1 14887754 KBZBNLOMBQQCIY-LTSPNNATSA-N 418.582 2.766 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 95525131 TYRZVDMOZOYAKH-UHFFFAOYSA-N 400.928 2.815 0 50 HFAA C[C@H]1[C@H](C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1C(=O)OC(C)(C)C 170605146 VEGOHEUOUHPTFJ-JKSUJKDBSA-N 413.522 2.857 0 50 HFAA C[C@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N1CCOCC1 170623440 FYTRRFQEWZPOFM-VIFPVBQESA-N 424.217 2.837 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)cc1 215762346 OHQANUJVXNZCKQ-QGZVFWFLSA-N 417.516 2.575 0 50 HFAA O=C(CN[C@@]1(CO)CCCc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 225648854 DLCXMHNXOTUKBT-SQJMNOBHSA-N 422.525 2.935 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc(-c2ccccc2)cs1 263588537 VKSRKOKPPKTRES-INIZCTEOSA-N 424.482 2.573 0 50 HFAA COC(=O)[C@@H](C)NC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2 334161425 BQKIHDMASBHRJS-WEKMIXOTSA-N 419.474 2.629 0 50 HFAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1ccc(-c2noc(C3CC3)n2)cc1 670472682 WYIHOUFBTLPORP-FQEVSTJZSA-N 419.485 2.812 0 50 HFAA CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3CCCC3)c2)cc1F 809847071 TZHLBCRPLPHXBF-UHFFFAOYSA-N 414.480 2.565 0 50 HFAA COCCc1noc([C@H]2CCCCN2C(=O)Cc2cc3c(cc2Cl)OCCO3)n1 952976661 GAKQVKDUKMQSJV-OAHLLOKOSA-N 421.881 2.979 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cncc(C(=O)N2CCOCC2)n1 952987666 KJJOLMPMMGAXQU-UHFFFAOYSA-N 410.453 2.503 0 50 HFAA c1ccc(-c2ccc(Cn3[nH]nnc3=N[C@H]3COC[C@H]3Cc3ccncc3)cc2)cc1 1704315825 WMIKBTMIVLBMQU-PKTZIBPZSA-N 412.497 2.875 0 50 HFAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(Nc4nccs4)CC3)cc21 1875263415 MWNZEBXOHJNRQH-UHFFFAOYSA-N 406.533 2.638 0 50 HFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cncc(NCc2ccc(CO)o2)n1 1875361135 QNWFHWUKKGJEAT-OAQYLSRUSA-N 421.501 2.741 0 50 HFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100557120 NCGCOGMQKUJBLO-SFHVURJKSA-N 407.396 2.621 0 50 HFAA C[C@H]1[C@H](C)c2ccccc2N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325898982 HNDZFWRWSVYSMJ-PJSUUKDQSA-N 417.465 2.600 0 50 HFAA COc1ccc(-c2onc(N3CCCO[C@H](CN4CCCC4)C3)c2C(=O)O)cc1 2356157744 OXINZGYQCABSEJ-QGZVFWFLSA-N 401.463 2.740 0 50 HFAA COC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1[C@@H](C(=O)OC)CC2 622252 BZQPMHRJWHCVHM-GWCFXTLKSA-N 417.439 2.516 0 50 HFAA O=C(O)c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1 642663 FSFAIKTWWUJWRO-UHFFFAOYSA-N 403.197 2.790 0 50 HFAA CN(CCc1cnn(C)c1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12099452 WEKHAJCNKULEEK-QGZVFWFLSA-N 418.925 2.858 0 50 HFAA Cc1nccn1CCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12302842 OTBXJNOWTRGXLG-UHFFFAOYSA-N 410.518 2.791 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239046994 GBMHRPRDDQCAOV-GCQCLRAASA-N 400.862 2.730 0 50 HFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCC3=CCCCC3)N=C2O)cc1OC 252527566 CWQDSCVVPOUMPV-QGZVFWFLSA-N 415.490 2.725 0 50 HFAA CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCCS1)C(=O)[C@@H]1CCCS1 408518049 SJHAVQJMVTWJOL-ROUUACIJSA-N 413.653 2.551 0 50 HFAA O=C([C@H]1Cc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 741884318 BLOSWGZTBXQZMX-INIZCTEOSA-N 424.444 2.878 0 50 HFAA COc1nc2c(cc1CN1CCN(c3ccc(F)cn3)[C@@H](C)C1)C(=O)N(C(C)C)C2 1857670372 KOIJEZHZVKVERA-HNNXBMFYSA-N 413.497 2.699 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(F)c1 2325819812 QQUWCHBPUDCCJP-HOCLYGCPSA-N 404.463 2.549 0 50 HFAA O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc2c(c1)OCO2 630065 YZLDLULUXZYTBG-UHFFFAOYSA-N 402.204 2.526 0 50 HFAA CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 1019742 SDLKTALCPLLBPF-UHFFFAOYSA-N 416.543 2.935 0 50 HFAA Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1Cl 2777645 FLUZYYSFUCVJLK-MRVPVSSYSA-N 405.911 2.970 0 50 HFAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)CCn3c(C)nc4ccccc43)C2)no1 11665349 CPVQEZGCLGCKDH-QGZVFWFLSA-N 409.490 2.700 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCN2CCCC2=O)C1 11951039 KBDBCFAHBPJSSN-QFIPXVFZSA-N 422.472 2.692 0 50 HFAA O=C(NCc1cccc(F)c1F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12052829 YMDLSOJCJOYGLV-QGZVFWFLSA-N 405.489 2.694 0 50 HFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(C[C@@H]1CC=CCC1)CC2 12056709 WBIJQJJTVIOAEZ-GOSISDBHSA-N 423.513 2.823 0 50 HFAA COc1cccc(CN2C[C@@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1 12320074 JLZTXRXHDYRHGV-IBGZPJMESA-N 423.513 2.899 0 50 HFAA COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@@H](O)CN1CCCCC1 12591930 JLNUTBFPLYLVOM-NRFANRHFSA-N 416.566 2.595 0 50 HFAA C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607519 CNKMKGOQHWXCJF-SECBINFHSA-N 409.334 2.811 0 50 HFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)CC1 55327595 HFCQGBWQYKKUHM-HXUWFJFHSA-N 418.545 2.553 0 50 HFAA CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 65362178 RTSBMQZHGXZACC-UHFFFAOYSA-N 407.923 2.965 0 50 HFAA Cc1cn2nc(C(=O)Nc3ccc(C(=O)NCCc4cccs4)cc3)cc2c(=O)[nH]1 169768529 RDJPINZVPXSQDY-UHFFFAOYSA-N 421.482 2.617 0 50 HFAA CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1 229442319 SSAVQQRKRQELKK-KZNAEPCWSA-N 409.596 2.813 0 50 HFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328603152 FDZHJNUANXDXOC-SFHVURJKSA-N 419.485 2.894 0 50 HFAA Cn1ccc(N2CCC[C@@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2=O)n1 460448750 WRSISZSADAXQOI-OAHLLOKOSA-N 406.408 2.782 0 50 HFAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)N1 1506422294 NPURJDJMVAYKSQ-AWEZNQCLSA-N 417.391 2.898 0 50 HFAA O=C(N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1)C1(N2CCOCC2)CCCCC1 1704347991 QXRFHFYOYCKJLY-NFBKMPQASA-N 423.557 2.632 0 50 HFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857674910 CSEDAIAMMWIFOV-QGZVFWFLSA-N 422.510 2.807 0 50 HFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)Cc1ccc(C)cc1C 1875333977 SKLBSLMVDSMQPT-NZQKXSOJSA-N 407.514 2.552 0 50 HFAA CCCOc1ccc(CN=c2ccc(S(=O)(=O)NCC(C)(C)[C@H](C)O)c[nH]2)cc1 1875350198 FAJQOGVBJNDJNK-INIZCTEOSA-N 421.563 2.590 0 50 HFAA CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)NC(=O)CN2C 2325708749 UYLCNMKFHHYQKH-RDTXWAMCSA-N 418.563 2.531 0 50 HFAA COc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 2325747557 XUANTEOZYILDIH-MRXNPFEDSA-N 422.485 2.942 0 50 HFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)CC1=O 2325819655 MDIOXPIXZMZJCY-NXHRZFHOSA-N 401.507 2.722 0 50 HFAA CC(=O)c1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 2869450 KTYHIMWZNDGNKV-UHFFFAOYSA-N 406.529 2.564 0 50 HFAA COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 5126947 YQAAPDCJAUKAHP-UHFFFAOYSA-N 410.923 2.782 0 50 HFAA COc1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 7505325 YBNXGKRADRHNQM-UHFFFAOYSA-N 410.517 2.671 0 50 HFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)/C=C\c3cccc(F)c3)C2)nn1 11911063 AGBLAXSNZXBVFR-RXQFDZFGSA-N 413.497 2.851 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12594462 LYVXVNSNJQHPLD-QFIPXVFZSA-N 405.542 2.629 0 50 HFAA COc1cc(CO[C@@H]2CN(Cc3cccnc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14534564 RWXLXRDMZUGCCR-JOCHJYFZSA-N 413.518 2.737 0 50 HFAA Cc1cnc(C(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cn1 15069198 HUPNUOGIYSKAAY-UHFFFAOYSA-N 410.474 2.827 0 50 HFAA CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 19840051 WDSONIXXHPRNFN-ICSRJNTNSA-N 414.575 2.964 0 50 HFAA O=C(c1nc2ccccn2c1CNCc1cc2cc(F)ccc2[nH]1)N1CCOCC1 23191784 OSKJFSJJHICPPN-UHFFFAOYSA-N 407.449 2.717 0 50 HFAA Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)n1 65362280 BSQUSBGJGABBRG-UHFFFAOYSA-N 414.535 2.595 0 50 HFAA CC1CCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1 65364838 LQWKGZHZYGFZGE-UHFFFAOYSA-N 401.960 2.588 0 50 HFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1 67908918 CSWUTQFHBRSADJ-OLZOCXBDSA-N 404.923 2.853 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1 105903231 WOTGEHCSQZAPNI-HXUWFJFHSA-N 400.519 2.868 0 50 HFAA CC(=O)Nc1cccc(C(=O)N2CCC(n3cc(-c4nc(C(C)C)no4)nn3)CC2)c1 169777471 BFQFREMGLPIRKA-UHFFFAOYSA-N 423.477 2.887 0 50 HFAA COC(=O)[C@H]1C[C@@H](C(=O)NCc2ncccc2C)[C@@H](c2cccc(F)c2F)N1C 207835735 AJHGKOZXBRBUOV-LSBZLQRGSA-N 403.429 2.519 0 50 HFAA Cc1ccc(N(CC(=O)N(Cc2ccccn2)Cc2ccco2)S(C)(=O)=O)cc1 1506416118 HUAMOHYCCFPRNU-UHFFFAOYSA-N 413.499 2.978 0 50 HFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1506428332 ONQXJSVYABIGRU-GOSISDBHSA-N 407.474 2.667 0 50 HFAA CCCCN1C[C@H]2CN(C(=O)CCC(=O)Nc3cccc(CC)c3)C[C@]2(CO)C1 1772810130 JIGWXTVKERBZBB-CVDCTZTESA-N 401.551 2.521 0 50 HFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)O)sc12 1857684477 PBDNCKYWMKVZOS-UHFFFAOYSA-N 417.531 2.820 0 50 HFAA O=C(c1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857721330 KGYSBNVMHVITLT-PMACEKPBSA-N 401.894 2.650 0 50 HFAA C[C@H](NC(=O)C(=O)N(CCO)[C@@H]1CCc2ccccc21)[C@@H]1Oc2ccccc2[C@@H]1C 1875259490 ATHFETDPNNNXRX-PGYGGLOZSA-N 408.498 2.564 0 50 HFAA CCCCn1ncc(NC(=O)c2ccnc(N3C[C@@H](CO)OC4(CCC4)C3)c2)c1C 1875361254 VLYRIWCSCZQVMB-SFHVURJKSA-N 413.522 2.759 0 50 HFAA COc1cccc2c1C1(CCN(c3cc(C)nc(N4CCOCC4)n3)CC1)OCC2 2356151716 VGHIREAYNQWUIC-UHFFFAOYSA-N 410.518 2.699 0 50 HFAA CCOC(=O)c1cc(O)n2nc(-c3ccc(I)cc3)cc2n1 8989768 VOQNKHGCXYOHFN-UHFFFAOYSA-N 409.183 2.883 0 50 HFAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@H](O)C1 11817985 ZMJJEYVJAAXDRX-DEOSSOPVSA-N 413.606 2.779 0 50 HFAA CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 11843513 APQBSTVVKVGYQZ-QHCPKHFHSA-N 423.557 2.805 0 50 HFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12050011 WBSGVBBQCUMCGO-MRXNPFEDSA-N 421.473 2.857 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(Cc3nc(C)c[nH]3)CC2)c(Cl)c1 12203078 XIZSCTGMCKKQEE-UHFFFAOYSA-N 406.914 2.791 0 50 HFAA COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC[C@H](O)CN1CCOCC1 12303059 CJIGRRMITCQOKQ-JOCHJYFZSA-N 414.546 2.708 0 50 HFAA COc1ccc(-n2ccnc2CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cc1 12316801 XPFIOKYZGIMVHM-IBGZPJMESA-N 412.534 2.732 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H]2CCCCO2)c1 12596869 KHSXOFLSLMUXGI-LJQANCHMSA-N 404.507 2.726 0 50 HFAA CC(=O)CCC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14538643 CSJJCDNQQSCXRH-NRFANRHFSA-N 400.519 2.945 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc(F)cc2)c1=O 14996104 IQNOPGYQISMCPU-UHFFFAOYSA-N 407.445 2.520 0 50 HFAA CCCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC 22258016 HSBFDZOWUWLSHO-AQTBWJFISA-N 408.483 2.948 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1 72119147 NXTIFOFZOGIQCJ-UHFFFAOYSA-N 415.563 2.540 0 50 HFAA O=C(O)[C@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 91650802 LYAVEILTYRFANT-JTQLQIEISA-N 410.257 2.604 0 50 HFAA COc1cc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc(OC)c1 169777277 JCRHBPUVPMBHHU-UHFFFAOYSA-N 410.474 2.889 0 50 HFAA C[C@H]1CN(C(=O)CSc2ccncc2)C[C@@H](C)N1C(=O)CSc1ccncc1 170600596 WLKROCSXWBPIKK-IYBDPMFKSA-N 416.572 2.809 0 50 HFAA COc1ccc(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 225748061 SAOCFXWLKMLKPL-HOTGVXAUSA-N 409.552 2.539 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414717 VFTBHNFULQZKLJ-UWJYYQICSA-N 412.534 2.617 0 50 HFAA O=C(CN1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1)N1CCCCC1 426444621 OZXIXTGZRZKTSB-QFIPXVFZSA-N 405.489 2.792 0 50 HFAA CN(C)Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(C(N)=O)cs2)cc1 952871865 DCQWGCLHXMNSSD-QGZVFWFLSA-N 407.561 2.825 0 50 HFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506418358 XAUBOSWJAJNRIV-OAQYLSRUSA-N 415.457 2.747 0 50 HFAA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)[nH]c2c1C(=O)CCC2 1857734746 PMEVGDCSCXCRFA-PDOGEWKWSA-N 419.481 2.757 0 50 HFAA COc1ccc(-c2ccnc3nc(=NC(=O)[C@H](C)n4ccnc4C(C)C)[nH]n23)cc1 2100483569 FNFWYFKTPBACFP-AWEZNQCLSA-N 405.462 2.741 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCCCN2CCCC[C@H]2CC(=O)NCCC1 2100533484 RCYMZAHJTMVZPA-IBGZPJMESA-N 404.555 2.597 0 50 HFAA O=C(c1ccc(-c2cc[nH]n2)s1)N1CC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 2325872148 KJDXYLGIRJTQGC-AWEZNQCLSA-N 405.476 2.966 0 50 HFAA COc1cnccc1-c1ccc(C(=O)NCCn2ncc3ccccc3c2=O)cc1 2356165438 ILKWPKOMLNMRBH-UHFFFAOYSA-N 400.438 2.897 0 50 HFAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)c3ccccc3C1=N2 826614 RZTIDMCOFQOKKN-JKSUJKDBSA-N 405.841 2.816 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)c1 1055340 SXDGOGVGLGJOGF-UHFFFAOYSA-N 424.906 2.504 0 50 HFAA COC(=O)c1ccccc1COn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 1109168 PYMHFDHSBWHZCK-UHFFFAOYSA-N 402.406 2.717 0 50 HFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H](C)C3)c(C)c2oc1=O 1111633 DUXHLOHOSJTXSW-ZDUSSCGKSA-N 401.459 2.763 0 50 HFAA CCOc1ccccc1CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 11712965 VOJNEAZHIKTFCA-UHFFFAOYSA-N 415.578 2.621 0 50 HFAA COCCCNC(=O)c1cc(NC(=O)COC)cc2ncn(CCc3ccccc3)c12 12099195 OCTLTRDSFWEUFY-UHFFFAOYSA-N 424.501 2.630 0 50 HFAA Cc1cc(CNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)nn1C 13595333 SZDFEFLRXJFUNS-UHFFFAOYSA-N 402.502 2.938 0 50 HFAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14429808 JBJSPFRJSHHTNX-UHFFFAOYSA-N 414.405 2.979 0 50 HFAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)c1cncs1)C2 14532818 FUYZVKNMDLWTQQ-UHFFFAOYSA-N 424.530 2.519 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccccc1F)C2 14539738 FBUKSXSHFGPGLH-SFHVURJKSA-N 414.525 2.798 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 20598429 RYFBGOFBCRHDAM-SFHVURJKSA-N 404.580 2.677 0 50 HFAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(C4CCSCC4)C3)CC1)OCO2 20999044 IPQZMGVWRDIQOH-HXUWFJFHSA-N 403.592 2.893 0 50 HFAA CC[C@@]1(c2ccc(NC(=O)Cc3ccccc3[S@](C)=O)cc2)CCC(=O)NC1=O 170610260 FCWYEJIEZZTBTH-ZTOMLWHTSA-N 412.511 2.690 0 50 HFAA O=C(/C=C/c1ccccc1)N1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 214256814 UYHUBDXQYVWXPY-VPFRDICFSA-N 419.569 2.522 0 50 HFAA Cc1cc(N2CCN(C/C=C3\N(C)c4ccccc4C3(C)C)CC2)n2ncnc2n1 221935727 LWSPWIVIQZGLQO-UKWGHVSLSA-N 403.534 2.866 0 50 HFAA CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O 241693883 QIOIKKSSXGHNAV-KKSFZXQISA-N 412.515 2.774 0 50 HFAA CCCCCNC(=O)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252693642 FISGPBUWTXPNRF-CTVDGRRTSA-N 407.514 2.799 0 50 HFAA biogenic O=C(c1ccoc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2)CC1 299795107 LDVSOHAJDNXXQN-NRFANRHFSA-N 407.514 2.866 0 50 HFAA CC(C)[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C 409412992 JVYKACNAMBILMM-FXAWDEMLSA-N 419.485 2.527 0 50 HFAA Cc1nc2ccccc2n1CC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 482199098 OFKGQPRRSQSBFC-UHFFFAOYSA-N 408.477 2.787 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C2)cc1 758522769 JZCDVESITYZZFF-UHFFFAOYSA-N 420.556 2.805 0 50 HFAA O=C(CN1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1)NCC(F)F 952893395 LNTXRMNGDZWPKB-MRXNPFEDSA-N 404.339 2.624 0 50 HFAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N(C)C1CCNCC1 1506400748 LAVLAGKOXJOWQZ-UHFFFAOYSA-N 408.471 2.838 0 50 HFAA Cc1c(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cnn1C 1704330220 GFXHZIVMZUBYDI-JOCHJYFZSA-N 423.542 2.854 0 50 HFAA CC(C)(C)c1ccc([C@H]2CNCCN2CC2=Nc3ccccc3S(=O)(=O)N2)cc1 2325862440 UITWHAPTEMBSRJ-LJQANCHMSA-N 412.559 2.953 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1Cl 2356145580 QYBAORDURXIHMA-SFHVURJKSA-N 400.928 2.903 0 50 HFAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 915069 PCMYYUMEGWNKLL-LJQANCHMSA-N 407.430 2.723 0 50 HFAA COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2F)cc1 1109672 NAIGSDXTECXYOS-GOSISDBHSA-N 415.490 2.833 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1127421 OOPBAWUPINUFAQ-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1I 1180683 KOEROWABQMYQJI-UHFFFAOYSA-N 405.199 2.583 0 50 HFAA COc1ccc(OC)c([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 4165260 RZVRXVPPMPEEBJ-KRWDZBQOSA-N 420.487 2.832 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(C)cc1 6489534 OPHOEGXFDSYCQF-XYSGSMRZSA-N 408.479 2.700 0 50 HFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 11784685 UPDMWDNAPQRAFT-YJBOKZPZSA-N 414.893 2.882 0 50 HFAA O=C(c1cnc(O)cn1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11841413 TYOAGZZGMPURQF-OAHLLOKOSA-N 402.445 2.835 0 50 HFAA COc1ccc([C@@]2(CC(=O)NCCSC)CC(=O)N(C3CCCC3)C2=O)cc1 12333290 QYUIULCHVPWHPU-OAQYLSRUSA-N 404.532 2.504 0 50 HFAA CCc1c(C(=O)NCc2cnn(C)c2C)c(=O)cc(C)n1Cc1ccccc1OC 12508716 JPAMIUMOYBAWFA-UHFFFAOYSA-N 408.502 2.748 0 50 HFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)CCc2ccccc2)CCO3)CC1 14965331 YHUVVEMUGIPVTC-UHFFFAOYSA-N 421.541 2.705 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 19799659 WSVSLDRPWZKMBU-UHFFFAOYSA-N 409.943 2.823 0 50 HFAA Cc1ccn(CC(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n1 55108232 NSHJCGKHYALLPX-FQEVSTJZSA-N 401.942 2.658 0 50 HFAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CCc1ccc(O)cc1)C2 71774552 VFNPTVIJIOYHJC-UHFFFAOYSA-N 403.486 2.828 0 50 HFAA CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCCC[C@@H]1O 72139235 HPLWRCQIMODPPC-UXHICEINSA-N 402.516 2.887 0 50 HFAA Cc1cccc(OCC(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)c1 169749818 WRNKIZJSZFDLJA-UHFFFAOYSA-N 406.446 2.906 0 50 HFAA COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1F 169778657 PILNKWZMDYCPMA-ZDUSSCGKSA-N 400.414 2.686 0 50 HFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1OC 169779727 KWZMKUOUYHSNAN-UHFFFAOYSA-N 408.458 2.598 0 50 HFAA CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(C(F)(F)F)n1 170607609 ZKWYLJIXULQRGA-UHFFFAOYSA-N 422.454 2.731 0 50 HFAA O=C(/C=C\c1cn(Cc2ccccc2)nn1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 221910709 PVJLSGIUQVMZKZ-KUFMOJEASA-N 415.453 2.633 0 50 HFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1Cc1ccccc1 229654475 NHCQRBNPGXRMQS-LVBDUCALSA-N 421.884 2.767 0 50 HFAA O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCC3)c2c1)[C@H]1CC=CC[C@H]1C(=O)O 245255246 GIYLVYAWFBHSBT-QMTMVMCOSA-N 411.458 2.995 0 50 HFAA CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1nnc(O)c2ccccc12 745883837 OQOIEFUWQGIMJG-UHFFFAOYSA-N 417.368 2.752 0 50 HFAA C[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)C[C@H](CO)O1 787471469 MMKZMXIFCATMLD-NVXWUHKLSA-N 420.465 2.895 0 50 HFAA CCNC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 952968352 MKTCQWIMSCZQAU-UHFFFAOYSA-N 409.895 2.738 0 50 HFAA CCCCn1nc(CC(=O)NC)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857671178 AGOZFGAPSYIWPB-UHFFFAOYSA-N 411.510 2.595 0 50 HFAA Cc1ccc2nc(N3C[C@H](C(=O)NCCCNc4cccnc4)CC3=O)sc2c1 1857718257 QMZZDIOWRZBJHZ-OAHLLOKOSA-N 409.515 2.971 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(F)cc(F)c2)C1 2325889439 QMIBRKSVADSNAZ-RDTXWAMCSA-N 405.445 2.709 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)C4CCNCC4)C3)[C@@H]3CCCCN23)c1 2356142295 MPOYCQBEXAVAPR-KJBBBAAKSA-N 411.590 2.939 0 50 HFAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 676648 UJMZSNQEPAWGKU-UHFFFAOYSA-N 417.443 2.810 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 2839877 GFRMIHIZUTYBDT-UHFFFAOYSA-N 414.842 2.655 0 50 HFAA Cc1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(I)c1 2863177 LUWQFJNLLSQUME-UHFFFAOYSA-N 402.232 2.699 0 50 HFAA C[C@@H](C(=O)N1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1 11969709 VGZVFRHOKBIADE-GYCJOSAFSA-N 423.488 2.989 0 50 HFAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCOC2)CC1 12456875 AHKUGDJPSWFRPW-OAHLLOKOSA-N 413.478 2.736 0 50 HFAA C[C@H](CCn1cccn1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 15075294 VQZKPXXBRRZEHW-HXUWFJFHSA-N 424.593 2.550 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cc3ccccc3[nH]1)CC2 19229322 XIPGETLIUOUMRT-UHFFFAOYSA-N 420.513 2.633 0 50 HFAA CCOC(=O)c1cnn(-c2cccc(F)c2)c1CN1CCC[C@H](c2nncn2C)C1 20119336 GIMIFIZJQRJCIU-HNNXBMFYSA-N 412.469 2.696 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 23129088 OXWOKIBBEVFBLT-INIZCTEOSA-N 416.485 2.969 0 50 HFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4sc(C)nc4C)CC3)nn2)n1 67601771 MXRAMVQJCAFRPX-UHFFFAOYSA-N 409.519 2.959 0 50 HFAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 101756037 XDEJTGYOVZXNMN-IBGZPJMESA-N 418.453 2.773 0 50 HFAA COC(=O)c1ccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)cc1 225444940 NVNRXTLSRXMUIS-CQSZACIVSA-N 406.276 2.817 0 50 HFAA CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O 239433810 YNWPRHUDESRNFE-UIDUWAOXSA-N 401.507 2.793 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1C 245226073 HFSYTLKIKCDFFP-SMOZNVCYSA-N 419.456 2.874 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 253412623 ROLNIKUSFKSQFW-CEWLAPEOSA-N 413.562 2.767 0 50 HFAA biogenic C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 254153398 YWFWDFNNMSZVOA-MXXPLISTSA-N 420.458 2.726 0 50 HFAA biogenic Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cccn2)c2ccccc21 263588914 ZVRHICUJPDINRV-SFHVURJKSA-N 411.506 2.627 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc1F 328606280 QXWMPAQVAHXLNP-KRWDZBQOSA-N 416.497 2.642 0 50 HFAA O=C(c1sccc1Cl)N1C[C@@H]2CN(Cc3ccn4nccc4c3)C[C@]2(CO)C1 1772812243 JTVBDVPPOGDMPR-MGPUTAFESA-N 416.934 2.616 0 50 HFAA CCCc1cnc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(C(=O)OCC)C2)nc1 1857685706 QJUJHZLKPGJFLS-TXTKFYIRSA-N 416.566 2.690 0 50 HFAA Cc1[nH]nc(CCC(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)c1C 1857694627 GOGWBRJKJVSSRG-UHFFFAOYSA-N 403.504 2.809 0 50 HFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857709360 SODFJDMCONNOTH-SFHVURJKSA-N 407.396 2.922 0 50 HFAA CC(C)c1cccc(C(=O)NC[C@H]2[C@H]3CN(Cc4cncn4C)C[C@]34CC[C@H]2O4)c1 1857737251 CWAOTWAGBKWCSV-JVNMPXIPSA-N 408.546 2.953 0 50 HFAA CCOC(=O)C1([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)OC(C)(C)C)C2)CCOCC1 1875332641 CEPCMVLZXJAXIY-BBWFWOEESA-N 411.539 2.999 0 50 HFAA COCc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)c(C)c1 1875350609 UKMLJFBNAIYMHR-UHFFFAOYSA-N 412.305 2.952 0 50 HFAA O=C(c1ccn2nccc2c1)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940196207 RMXPEGPTQALEDA-NZQKXSOJSA-N 407.470 2.635 0 50 HFAA O=C(c1ccc2nnnn2c1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157866 VJHLRIQYTIXRCY-HSZRJFAPSA-N 411.469 2.702 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(C)ccc2C)cc1 821188 BRQYNSYUTSPCJH-UHFFFAOYSA-N 402.516 2.666 0 50 HFAA COc1cc(OC)c(C2=NO[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl 1059914 YISKFZSATOWGGN-IBGZPJMESA-N 418.833 2.895 0 50 HFAA COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 1134300 FTLHWWLVYWEZGF-AACITZPUSA-N 414.233 2.776 0 50 HFAA CSCC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 4903023 QBEMGDFNCGVUTQ-CLEQQJOVSA-N 416.474 2.919 0 50 HFAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 10302837 RLHOIBWLXVXHSH-UHFFFAOYSA-N 420.506 2.594 0 50 HFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)/C=C/c1ccco1 11816461 WPMKECIBUNBAMM-MHNQQFQPSA-N 403.567 2.964 0 50 HFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CCOC 14542958 OMALIPZAROMZLC-SFHVURJKSA-N 402.539 2.558 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@H]2CCOC2)O3)n1 15000296 RTTQYFIPRFSAQI-SMDDNHRTSA-N 405.907 2.975 0 50 HFAA CC(C)Oc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 15002157 IRAQHQBGIFZJQE-UHFFFAOYSA-N 423.517 2.689 0 50 HFAA CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1 19730849 VJDNUOLGCOWMBM-UHFFFAOYSA-N 407.449 2.651 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 23374991 LOLBOWJTTXQDQR-NRFANRHFSA-N 411.550 2.826 0 50 HFAA Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 39380335 UUSCNXCKOPEGFS-JOCHJYFZSA-N 405.631 2.822 0 50 HFAA COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc5c(c4)OCO5)C3)[nH]n2)cc1 169753979 IJPPUALAJKXUFF-MRXNPFEDSA-N 406.442 2.823 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3cccs3)C(=O)C2)c1C 170597077 HXACDWNZHHWOGS-AWEZNQCLSA-N 403.504 2.790 0 50 HFAA Cc1ccc(C(C)C)c(OCc2nnc(SCCCN3CCN(C)CC3)n2N)c1 225566893 YLORFASPWKRNPM-UHFFFAOYSA-N 418.611 2.732 0 50 HFAA Cc1ccc(N2CCC[C@@H]2COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)nn1 253369394 CAYNIFCFMLWSCT-WTGUMLROSA-N 422.533 2.925 0 50 HFAA CN(c1ccccc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)S(C)(=O)=O 466650855 LFVHEXCZJAVXQE-UHFFFAOYSA-N 424.548 2.705 0 50 HFAA CCOc1ccc(N2C[C@@H](C(=O)NCC3(N(C)C)Cc4ccccc4C3)CC2=O)cc1 741600938 JJWOEMQHBDZRSJ-FQEVSTJZSA-N 421.541 2.654 0 50 HFAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc(OCC(=O)N3CCOCC3)cc2)n1 952966123 UIOWMBMXTMZKRB-IBGZPJMESA-N 414.506 2.768 0 50 HFAA Cc1c(C(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)nnn1-c1cccc2cnccc12 1262819098 JSQWTNMFDWQSJZ-IBGZPJMESA-N 420.860 2.734 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)NCCNC(=O)c3ccccc3Cl)o2)c1C 1506402435 YEGCHDGLQCSOCB-UHFFFAOYSA-N 423.878 2.913 0 50 HFAA CNC(=O)CCC(C)(C)NC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704313701 IWIGQRMWGFJVRR-UHFFFAOYSA-N 406.458 2.590 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCCN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 1775984573 ZLFZPGBSXHRNAQ-IBGZPJMESA-N 402.495 2.871 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CCc3cc(O)no3)C1)CC2 1857709463 ZAUKOUGGWCTHGP-NRFANRHFSA-N 400.479 2.613 0 50 HFAA Cn1cc(C(=O)N2CCC(C3CCN(c4cc(C5CC5)ncn4)CC3)CC2)ccc1=O 1857722682 NQAMYKOGQLGPRL-UHFFFAOYSA-N 421.545 2.822 0 50 HFAA Cc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4c(F)cccc4F)no3)C2=O)n(C)n1 1875320239 MJVIHQIJAZZXNQ-CQSZACIVSA-N 415.400 2.587 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)C1 1875371677 IQXJNOQPGBSZTA-HUUCEWRRSA-N 403.910 2.673 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)[C@@H](C)c2ccc(Cl)cc2)cc1 2325842100 OFXOQSUFSSRPKC-ZDUSSCGKSA-N 424.906 2.612 0 50 HFAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 2325875667 ZGYFWMPXYGRURI-SFHVURJKSA-N 408.289 2.813 0 50 HFAA COc1cccc(-c2cccc(C(=O)N3CCC[C@@]34CCCN(CCO)C4=O)c2)c1 2356161692 FUEAUPXWAQCAAJ-XMMPIXPASA-N 408.498 2.952 0 50 HFAA O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 675594 BDGMEZIWVVRWMG-UHFFFAOYSA-N 407.492 2.737 0 50 HFAA COc1ccc(-n2c(-c3ccc(C)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 2421199 UOIXOULRLFEMRX-UHFFFAOYSA-N 415.453 2.660 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CC[C@@H](COC)C2)n1CCCc1ccccc1 11819233 DDIACKIHAKSTQT-LJQANCHMSA-N 405.564 2.778 0 50 HFAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)c1 11996364 SWIBBGLRJSUUJA-MRXNPFEDSA-N 423.492 2.975 0 50 HFAA COC(=O)c1ccc(CNC(=O)CCN2Cc3ccc(OC)cc3O[C@H](C)C2)cc1 12244474 ZQVHQAFQZKFSJU-MRXNPFEDSA-N 412.486 2.771 0 50 HFAA O=C1CC[C@](CCC(=O)N2CCc3ccccc3C2)(Cc2ccc3c(c2)OCO3)N1 12279660 YTZMVJGPOCBPCZ-DEOSSOPVSA-N 406.482 2.972 0 50 HFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2cccnc2)C1 12307022 ZNBGRBKHHIAGOD-FQEVSTJZSA-N 424.469 2.937 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3ccco3)cc2Cl)CC1 12707799 NGWCSVXBVVAMTO-UHFFFAOYSA-N 412.895 2.666 0 50 HFAA COc1cc(CNCCOc2ccccc2)ccc1OC[C@@H](O)CN(C)C(C)C 14958885 UETVXOQMVBJBPI-FQEVSTJZSA-N 402.535 2.944 0 50 HFAA CN(CCc1cnn(C)c1)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 19334184 XZGFAQISEKNZJD-XMMPIXPASA-N 422.573 2.966 0 50 HFAA C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccco1)CC2 19745875 VAAUUPNQQYPVJV-ZDUSSCGKSA-N 401.417 2.699 0 50 HFAA CN1CCC(N2CCN(Cc3ccccc3OC3CCCC3)C[C@@H]2CCO)CC1 20210465 RCJLLVXMVQAGBF-QFIPXVFZSA-N 401.595 2.971 0 50 HFAA COc1ccc(F)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 20210764 PZDUSVDCVSXEHO-CQSZACIVSA-N 413.453 2.568 0 50 HFAA O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 20512570 RAAFELSZSLIDRZ-UHFFFAOYSA-N 416.319 2.523 0 50 HFAA COc1ccc(-n2cc(CN3CCN(CCO)CC3)c(-c3cccc(F)c3)n2)cc1 23358040 JAAVKHAVUWIKEM-UHFFFAOYSA-N 410.493 2.797 0 50 HFAA O=C(c1cc(O)n[nH]1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72145647 XOINFNRUXFMKEM-INIZCTEOSA-N 423.439 2.561 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)ccn1 77424998 MZWVGZIJXAHJIX-OUMCCJGNSA-N 417.509 2.952 0 50 HFAA Cc1nc2cc(OCc3nc(C(=O)N4CCC(=O)NC[C@@H]4C)co3)ccc2s1 91326124 PUUOJTAZVPSGPZ-NSHDSACASA-N 400.460 2.522 0 50 HFAA COCC(=O)N1CCc2[nH]cnc2C12CCN(CC[C@H](C)c1ccc(C)o1)CC2 95498902 SPRYSVHIFDUCFH-INIZCTEOSA-N 400.523 2.827 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 239203370 SFQRCMQHKXJWKY-UROPGOJKSA-N 424.456 2.660 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)c1OC 439136113 RGOJXIYBNIDPJC-CPJSRVTESA-N 420.509 2.892 0 50 HFAA C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCC2 478624321 JHCGAQQKAOXDIY-CYBMUJFWSA-N 415.457 2.844 0 50 HFAA C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)[C@H](O)c1ccc(F)cc1 771665156 MGHMKNZTOUJUIM-PREVHVLTSA-N 419.497 2.501 0 50 HFAA c1ccc(C23CN4CCN(CC(C4)[C@H]2NCc2cccc(Cn4cccn4)c2)C3)cc1 952971780 OWOIFBITENKVIJ-CNWYCCFASA-N 413.569 2.589 0 50 HFAA Cc1cc(C)nc(CCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506401687 JRPIWTNDYSPORA-UHFFFAOYSA-N 415.397 2.616 0 50 HFAA CO[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)C[C@H]1Cc1cc(C)no1 1529105532 FKTHWZTVMNYCAX-UTKZUKDTSA-N 415.515 2.711 0 50 HFAA O[C@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H]1Cc1ccncc1 1615637567 SKKIEWZOBRSZDD-REWPJTCUSA-N 404.514 2.502 0 50 HFAA O=C(c1ccc2ncsc2c1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857715668 CGHITPLGENPAKC-FPOVZHCZSA-N 400.475 2.864 0 50 HFAA CCn1nc(-c2c[nH]nc2C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100544902 APUHCWZRCZEPPF-UXHICEINSA-N 422.489 2.809 0 50 HFAA COc1ccc(-c2onc(N3CCC[C@@H](CN4CCOCC4)C3)c2C(=O)O)cc1 2356154757 IPPGGXSPPRJXIL-HNNXBMFYSA-N 401.463 2.597 0 50 HFAA CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 797234 ODVYHOASKIBYNK-UHFFFAOYSA-N 422.890 2.816 0 50 HFAA CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 1132249 KVVVZPOZGOZMPN-UHFFFAOYSA-N 419.247 2.987 0 50 HFAA CCn1nc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1C 4770521 SUDGMCWKWBJSJS-UHFFFAOYSA-N 408.499 2.698 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4nonc4C)C3)C2)c1OC 14973025 AAPDWRNQFLASNZ-OAQYLSRUSA-N 400.479 2.524 0 50 HFAA Cc1cccnc1CN1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 15077981 OZFYEJGHZRRFHP-UHFFFAOYSA-N 410.909 2.641 0 50 HFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 61719571 GMNJZYSBMVOLLR-UHFFFAOYSA-N 413.861 2.667 0 50 HFAA CCOc1ccccc1NC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 67650083 UYVJZMPZMRLJHI-SFHVURJKSA-N 409.442 2.707 0 50 HFAA CC(C)n1c(CNC(=O)CC[C@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21 206255831 YBUXBBGXGLNIHM-QGZVFWFLSA-N 423.473 2.727 0 50 HFAA COc1cc(OC)c2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(=O)oc2c1 238950395 XWXNYMBCNPXKCH-HDJSIYSDSA-N 417.458 2.668 0 50 HFAA biogenic O=C(c1ncn2c1CO[C@H](c1ccccc1)C2)N1CCC(C(=O)N2CCCC2)CC1 263615273 BNSFECOTKSXIPL-FQEVSTJZSA-N 408.502 2.629 0 50 HFAA CC[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC)C(N)=O 726988516 RGCHYWDSGIVOJE-GOSISDBHSA-N 409.442 2.977 0 50 HFAA C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 768999598 NTFFBCNNSTZPEX-DOTOQJQBSA-N 420.465 2.895 0 50 HFAA Cn1cncc1CC(=O)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952895049 XUXLWZKPTBFCTR-GOSISDBHSA-N 405.380 2.745 0 50 HFAA CC1CCN(C(=O)COc2ccc(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)cc2)CC1 1529184610 BPEPKECEQVYLAY-ZJSXRUAMSA-N 423.557 2.754 0 50 HFAA CCN1C[C@@H](CNC(=O)c2c(N3CCCC3)noc2-c2ccc(OC)cc2)CC1=O 1704306610 QFOXSXBHYFTLNE-OAHLLOKOSA-N 412.490 2.549 0 50 HFAA O=C1CN(c2ccc(C(=O)N3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)cc2)C(=O)N1 1875247717 PFCUJNFBFLMMFP-VQTJNVASSA-N 405.454 2.735 0 50 HFAA CC[C@](C)(CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)N1CCOCC1 1875257806 BABLQORGRJXBFF-JTHBVZDNSA-N 420.598 2.877 0 50 HFAA COc1ccccc1-n1cc(CN2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)cn1 2356154536 ZJAYHVDOPOWIGP-RBBKRZOGSA-N 401.507 2.955 0 50 HFAA CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 1139600 MYUPHGLNKNIFJJ-UHFFFAOYSA-N 403.504 2.829 0 50 HFAA COc1cc(C(=O)N(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)cc(OC)c1OC 4531449 SWTJKWIPAJKDDI-KRWDZBQOSA-N 417.483 2.978 0 50 HFAA Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 9134560 BKXWQQCYEDRUEL-KRWDZBQOSA-N 418.476 2.953 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 11873140 LVFMYFBNQZXJGZ-OAHLLOKOSA-N 410.461 2.943 0 50 HFAA C[C@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12131237 QERUBYRNFXVIMP-AWEZNQCLSA-N 403.486 2.806 0 50 HFAA Oc1nc(S)nc(O)c1C(c1ccc(Cl)cc1)c1c(O)nc(S)nc1O 12599408 OPTTYYLPWKJECO-UHFFFAOYSA-N 410.864 2.500 0 50 HFAA COc1ccc(CNCC2(C)COC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 14956006 HYBYEILTVBMBHD-NRFANRHFSA-N 414.546 2.693 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2c(F)cccc2F)c1=O 14998443 XXWXKGXVLCMWRV-UHFFFAOYSA-N 403.429 2.921 0 50 HFAA COc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1OC 20715525 FLLYVUIRLHBFKE-UHFFFAOYSA-N 407.470 2.794 0 50 HFAA Cc1cccc(N(C)C(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1 169752359 BKSYCJXXEKPNLP-UHFFFAOYSA-N 420.444 2.766 0 50 HFAA CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)c1 169757959 VAESDFZHUXGKTB-OAQYLSRUSA-N 419.437 2.714 0 50 HFAA COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@H](OCc4ccccc4)C(=O)[C@H]3O2)cc1 252430956 VQDQWTWFTKEJMK-RXZUFOQRSA-N 400.427 2.635 0 50 HFAA CCN1C[C@H](CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 252444138 AYHQAPLXCHAOCK-JLHGSKIFSA-N 400.523 2.664 0 50 HFAA O=C(C[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCc2ccccc2C1 252485751 HCXOICHXGQNIOO-INIZCTEOSA-N 403.360 2.708 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CC1 252536443 IOXQSXCJWUEKDZ-ABAMZPJMSA-N 415.559 2.845 0 50 HFAA Cc1cc(C(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)c2c(C)nn(C)c2n1 670434321 RFAWCPWUHBSVSN-UHFFFAOYSA-N 410.503 2.885 0 50 HFAA O=C1C[C@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CN1Cc1ccncc1 1506405901 CTHZHKLOCCZNLP-KRWDZBQOSA-N 421.476 2.852 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(C)cn1)C2 1857705102 SOPVXQSPIVWZBU-KJXAQDMKSA-N 401.551 2.646 0 50 HFAA COCCN(C)CC(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100547599 LTOQOKBCRBQODJ-QHCPKHFHSA-N 411.546 2.529 0 50 HFAA Cc1cccc(C(C)(C)C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325896368 XCQVPULVKHVKEG-IBGZPJMESA-N 419.481 2.672 0 50 HFAA COc1cccc(-c2cccc(C(=O)N3CCC4(CC3)OCC[C@@](C)(O)[C@@H]4O)c2)c1 2356158011 VJOYPFOYCVUQLZ-XZOQPEGZSA-N 411.498 2.869 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C(=O)O 814810 WTWWXVRCQBIQPN-GOSISDBHSA-N 405.414 2.913 0 50 HFAA O=C(CSCc1ccccc1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 1084486 BOPIKBWOOHJTAI-UHFFFAOYSA-N 400.500 2.796 0 50 HFAA COc1ccc(S(=O)(=O)Oc2ccc(C(=S)N3CCC(O)CC3)cc2)cc1 3005124 SLENYRXMKQPQRA-UHFFFAOYSA-N 407.513 2.595 0 50 HFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 4027332 LCLXBNDAOUUZSN-UXHICEINSA-N 412.486 2.838 0 50 HFAA biogenic COC(=O)C1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)CC1 6697952 BJRPJRLIHDDDJO-UHFFFAOYSA-N 408.501 2.574 0 50 HFAA CCC[C@@]1(C2CCN(C(=O)C(=O)[C@@H](C)CC)CC2)NC(=O)N(Cc2ccco2)C1=O 11968831 WFBFFSAIHPQIIJ-NYHFZMIOSA-N 417.506 2.724 0 50 HFAA COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 12034250 INOZSPCKTNVZEK-JZLODUJNSA-N 421.501 2.942 0 50 HFAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3ccc4c(c3)OCO4)CC2)N1 12039990 SJSPHLZNUWROLK-XMMPIXPASA-N 421.497 2.838 0 50 HFAA CN(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 12201880 JQLBARXTKRYLBP-QFIPXVFZSA-N 402.498 2.584 0 50 HFAA COc1ccc(CN(C)CCc2c(C)n[nH]c2C)c(OC[C@@H](O)CN2CCCC2)c1 12479354 UKQXHHTZYIPARM-FQEVSTJZSA-N 416.566 2.545 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 13302713 QPBZUNMZVMIAIG-RLFYNMQTSA-N 410.348 2.505 0 50 HFAA Cc1cc(C)cc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 65362601 IRHYAXWCUMUYGB-UHFFFAOYSA-N 415.559 2.709 0 50 HFAA C[C@H](CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)n1ccnc1 91626382 MNXHIWRNKNFUTR-LLVKDONJSA-N 406.273 2.855 0 50 HFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@@H](C)CCc3ccccc3)N=C2O)cc1 252527642 DBQVUGAGFDRQSL-OXJNMPFZSA-N 409.486 2.848 0 50 HFAA C[C@@H](OC(=O)c1c[nH]n2c1nc(=O)c1ccccc12)c1nnnn1C1CCCCC1 787657769 LIAPNNIMGXMBQU-GFCCVEGCSA-N 407.434 2.586 0 50 HFAA CN(c1ccc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)cc1)S(C)(=O)=O 828157981 IYBWAXZJCREMQN-INIZCTEOSA-N 407.561 2.538 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)c3scc4c3OCCO4)C2)n1 952968298 BSQAJJBANPECTQ-CQSZACIVSA-N 401.488 2.505 0 50 HFAA CC(C)c1nccn1CCCNCc1ccccc1OCC(=O)NC[C@H]1CCCO1 952972163 WKIJFQYKDQVNDN-HXUWFJFHSA-N 414.550 2.860 0 50 HFAA Cc1cn(-c2ccccc2)nc1NC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1318301283 DXMGGGDDVYJXJN-QFIPXVFZSA-N 418.457 2.557 0 50 HFAA Cn1cnc2ccc(-n3ccnc3-c3ccc(OCC(=O)N4CCOCC4)cc3)cc21 1775982963 FNUXBIAFFFYBGB-UHFFFAOYSA-N 417.469 2.664 0 50 HFAA Cc1ncnc(C)c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696595 INCXHNIOJXIHKH-HSZRJFAPSA-N 416.485 2.771 0 50 HFAA O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@H](c2nnc3ccccn23)C1 1875253914 ZUYMAGAOYTWVJH-HNNXBMFYSA-N 416.441 2.868 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 1875371959 RMCIQCZZFMKGPQ-WBVHZDCISA-N 407.308 2.774 0 50 HFAA C=CC(=O)NC[C@H](NC(=O)[C@@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875383242 MDPLPSXMMLMQNF-VXKWHMMOSA-N 421.497 2.871 0 50 HFAA NC(=O)Cc1cccc2c1CCN(C(=O)c1cnc(COc3ccccc3)s1)C2 2325827965 VHRAJFOJFSWSBR-UHFFFAOYSA-N 407.495 2.948 0 50 HFAA O=S(=O)(c1ccc2nc(O)oc2c1)N1CCC2(CC1)OCCc1sccc12 2356155698 KARSUYWOHHXMQZ-UHFFFAOYSA-N 406.485 2.848 0 50 HFAA CC1=C(CCN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)C(C)(C)CCC1 11783026 BYXZNNZHSLCPGE-SFHVURJKSA-N 415.582 2.706 0 50 HFAA CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)n(C)n1 11978941 SPMKRJXCBGFIBP-QGZVFWFLSA-N 409.465 2.929 0 50 HFAA CC(C)CN1C[C@@H](C(=O)NC[C@H]2CCCO2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14532739 RHFAKRAIGLMDOD-SQGPQFPESA-N 405.514 2.654 0 50 HFAA O=C(c1cnccn1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14537415 ZERRECAXSFNXKJ-HXUWFJFHSA-N 408.502 2.679 0 50 HFAA C[C@@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1nccs1 14981556 KSMIBZBPDNSHIQ-MRXNPFEDSA-N 400.548 2.935 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)CCN2CCCCC2)n1Cc1ccccc1 19836828 BJAAWWKYEBIBGO-UHFFFAOYSA-N 404.580 2.643 0 50 HFAA CCn1ccc(-c2cc(C(=O)O)c3c(=O)nc(S)n(-c4ccccc4OC)c3n2)n1 20615432 YWZBMNAIBPKRTQ-UHFFFAOYSA-N 423.454 2.660 0 50 HFAA COCc1nn2c(nnc3c(=O)n(C[C@@H]4CCCO4)ccc32)c1-c1ccc(F)cc1 40392305 QRSSFXBSFRSYMS-HNNXBMFYSA-N 409.421 2.571 0 50 HFAA COc1ccc2nc(-c3cc4n(n3)CCCN(C(=O)c3cnc(C)cn3)C4)[nH]c2c1 67490840 MRFYXDITMYZAMN-UHFFFAOYSA-N 403.446 2.580 0 50 HFAA CC(C)Nc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71385512 SOKSRKIKTSKPKE-SFHVURJKSA-N 400.571 2.600 0 50 HFAA COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2NC1=O 116468485 PITXBYGUVDYTBQ-HNNXBMFYSA-N 402.248 2.955 0 50 HFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1c1ncn(CC(=O)NCCC2=CCCCC2)n1 225826649 KECQNGZYOIAAID-QGZVFWFLSA-N 419.526 2.593 0 50 HFAA CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)[C@@H](C)C2)cc1 229969338 SYAFGTZIZOYBRT-INIZCTEOSA-N 418.515 2.771 0 50 HFAA CCN(CC)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C1 464963054 VQWDAOYYDWFRDE-OALUTQOASA-N 418.607 2.881 0 50 HFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)CO2 479991401 NQOBVBYSZWIFPO-HXUWFJFHSA-N 410.514 2.519 0 50 HFAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C 481110408 NRVFLAUSOZIHTJ-RDTXWAMCSA-N 413.305 2.870 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)C2(c3ccccc3F)CC2)cc1OC 1529153558 GANPFIDPZPSHEF-NHCUHLMSSA-N 415.461 2.836 0 50 HFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1[C@@H]1CCCN(C(=O)CO)CC1 1772814747 RBLQIKBCFIRGGQ-GOSISDBHSA-N 400.523 2.766 0 50 HFAA CN(C)Cc1nc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cs1 1857711903 HWHIPLRKEVGNGY-FPOVZHCZSA-N 414.575 2.883 0 50 HFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3c(O)nnc(C(F)(F)F)c3C2)cc1 1875373949 VUVQBKQJVVRDJZ-UHFFFAOYSA-N 406.364 2.548 0 50 HFAA COC(=O)C1(NC(=O)COC(=O)c2ccc(N3CC[C@@H](C)C3)cc2)CCCCC1 2325827148 WWWVUVCVCFMHJV-MRXNPFEDSA-N 402.491 2.682 0 50 HFAA CN1CCCC[C@@H]1C(=O)N1CC(c2cn(-c3ccc(Br)c(F)c3)nn2)C1 2325863120 WKFAEYLXPCADLD-QGZVFWFLSA-N 422.302 2.579 0 50 HFAA O=C(O)c1cn(CCCCNS(=O)(=O)c2c(Cl)ccc3ccccc23)nn1 2325870583 FVTPHVDZRBKUIA-UHFFFAOYSA-N 408.867 2.542 0 50 HFAA C/C=C/C=C/C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(OC)c(-c2ccnn2C)c1 2325872621 GORBVTNICNCNDI-HBRZBKPQSA-N 406.486 2.557 0 50 HFAA Cn1nnnc1-c1cccc(NS(=O)(=O)c2cnc(-c3ccc(F)cc3)s2)c1 2325879009 FILMWBPBHWOZEE-UHFFFAOYSA-N 416.463 2.941 0 50 HFAA CCCN=c1ncc(CN2CCC3(CC2)OCCc2cc(C(=O)O)sc23)c[nH]1 2356145792 IJBJNSIZVNXEEK-UHFFFAOYSA-N 402.520 2.544 0 50 HFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)c(OC)c(OC)c1 936856 IMNIFDRTOJLWSD-CQSZACIVSA-N 423.267 2.910 0 50 HFAA COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)CC1 10112598 BPLMJUXTZMFOLF-UHFFFAOYSA-N 416.499 2.821 0 50 HFAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)c(C)c1 14963332 FSIILRPKAZPSQL-GOSISDBHSA-N 403.523 2.988 0 50 HFAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 20326170 GYBLZJYMOSWGBW-GOSISDBHSA-N 415.852 2.569 0 50 HFAA CN1C(=O)[C@](CC(=O)N2CCc3n[nH]cc3C2)(Cc2ccccc2)c2ccccc21 71764971 ZYNVUFMIVPDUFX-DEOSSOPVSA-N 400.482 2.842 0 50 HFAA COc1ccccc1C(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1 77137474 YVZJWXMWWRSZHQ-UHFFFAOYSA-N 406.490 2.559 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77356787 UIULCWCOXWKEMM-CIEVZJJWSA-N 409.530 2.587 0 50 HFAA C[C@@H]1CN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC2(CCOCC2)O1 468514559 BYXKALQJGOSSTC-OAHLLOKOSA-N 403.454 2.995 0 50 HFAA CC(=O)N1CCC(CC(=O)NCc2ccccc2)(N2Cc3ccccc3C2=O)CC1 888105575 UIVQNWFMKHFTKL-UHFFFAOYSA-N 405.498 2.730 0 50 HFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CCc2c(C)nn(C)c2C)C3)cc1 952973634 OUROIJXHIMHFJW-UHFFFAOYSA-N 405.502 2.901 0 50 HFAA COc1cccc(CC(=O)NCC2CCN(Cc3noc(CC(C)C)n3)CC2)c1 952981964 DZJKDUZEYXIYCP-UHFFFAOYSA-N 400.523 2.848 0 50 HFAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 952988088 NFBGMMUEULSJSF-IBGZPJMESA-N 411.568 2.760 0 50 HFAA Cn1nc(-c2nnc([C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)o2)c2ccccc2c1=O 1322201473 BCOXHIWFLXUZIJ-LLVKDONJSA-N 423.379 2.782 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)CC2)c1 1506400147 ILDUUAWRNADBJX-HSZRJFAPSA-N 408.546 2.720 0 50 HFAA COc1nc2c(cc1Cn1ccnc1-c1cnc(C)nc1)C(=O)N(C1CCCC1)C2 1857709930 YWWUOWRRYDMPRF-UHFFFAOYSA-N 404.474 2.999 0 50 HFAA O=C(Nc1c[nH]c2nccc-2c1)c1cnc2c(c1)c(O)nc(=O)n2Cc1ccccc1 1875302804 HXUSEVAJEKTNDE-UHFFFAOYSA-N 412.409 2.626 0 50 HFAA CCC(CNC(=O)c1c(C(F)F)n[nH]c1C)CNC(=O)c1c(C(F)F)n[nH]c1C 2325725726 VKXVCFZCTNCLFA-UHFFFAOYSA-N 418.395 2.811 0 50 HFAA O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 4435110 VZAGNGGVCPYWJM-UHFFFAOYSA-N 400.350 2.654 0 50 HFAA CCn1cc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)n1 6490259 GQQXQLJPBYAKIA-HOCLYGCPSA-N 422.526 2.629 0 50 HFAA CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C(=O)N1CCOCC1 6742023 QYPOMAQEIRGJFI-HUUCEWRRSA-N 406.504 2.697 0 50 HFAA COc1cccc(-n2c(CNC(=O)c3cccs3)nnc2SCCN(C)C)c1 11786199 CIDPAVOPDGCEAA-UHFFFAOYSA-N 417.560 2.921 0 50 HFAA COC(=O)c1ccc(CN2CCC(=O)N(CCOc3ccc(F)cc3)CC2)cc1 14980470 UCKLNQQZKOPGRJ-UHFFFAOYSA-N 400.450 2.726 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 15671251 CAQYMASKQPFBNX-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)c(OC)c1 19552377 CISXEBKXYGTLOL-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1ccc(Cl)cc1 44889766 MGVWAROOMSCWHX-UHFFFAOYSA-N 423.904 2.862 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)CN1Cc1ccc(Cl)cc1 55576366 QKUQGHOTPLBXIT-MJGOQNOKSA-N 402.878 2.895 0 50 HFAA CNC(=O)CCN(C)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77343788 HJAMVNNGTTUFBX-UHFFFAOYSA-N 412.534 2.926 0 50 HFAA NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 110919887 SMUKJWOYUNSVHV-UHFFFAOYSA-N 415.446 2.519 0 50 HFAA COCc1cc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)n2ncnc2n1 170601949 BPBRVAPJWRXXPT-UHFFFAOYSA-N 423.395 2.657 0 50 HFAA COC(=O)c1cnccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 253432793 OCSJAFGBOKEVIU-UHFFFAOYSA-N 412.471 2.547 0 50 HFAA CCON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3[C@@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 254698788 BMCSJWJPXZFKRA-BWQMLOEUSA-N 413.084 2.614 0 50 HFAA Cc1nc(C)n(C2CN(C(=O)[C@H]3CCO[C@@H]3c3c(C)nn(-c4ccccc4)c3C)C2)n1 328591492 LACDAAWCSHALKF-UNMCSNQZSA-N 420.517 2.859 0 50 HFAA O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc2nsnc12 826626773 ZKYJJPBWFZHUDJ-CQSZACIVSA-N 406.508 2.773 0 50 HFAA COCCN(CCOc1ccccc1F)Cc1cnc(NC[C@@H]2CCCO2)nc1 952968642 PEAQZPMDSAQQSM-SFHVURJKSA-N 404.486 2.734 0 50 HFAA Cc1nc(-c2ccc(S(=O)(=O)N(CCN(C)C)C[C@@H]3CCCO3)s2)cs1 952979506 NJHRBHGSVZNYNK-AWEZNQCLSA-N 415.606 2.911 0 50 HFAA Cc1cc(C)c(CN2CCN(C)CC2)cc1CNC[C@H]1CCCN(C(=O)C2CC2)C1 952982647 ZTPZISGFDSUYPB-OAQYLSRUSA-N 412.622 2.789 0 50 HFAA O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 1339803270 LGBBRDAEFZHWKG-OAQYLSRUSA-N 405.502 2.668 0 50 HFAA C[C@@]1(O)CCOC2(CCN(Cc3ccc(OCCCN4CCOCC4)cc3)CC2)C1 1704325345 IGGBFXIIKTUYFS-HSZRJFAPSA-N 418.578 2.684 0 50 HFAA CNC(=O)[C@H]1CC[C@H](Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1 1775953562 XWTDLKPBDOVOAR-QAQDUYKDSA-N 411.527 2.825 0 50 HFAA COc1cc(-c2nc(Cn3cc(C[C@@H](O)c4ccccn4)nn3)cs2)ccc1O 1875309512 AMXSDSDNNAXBKF-GOSISDBHSA-N 409.471 2.835 0 50 HFAA Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C(=O)C[C@@H]2CCNC2=O)c(C)c1 1875334821 GNZQEIFZACCAEE-PZJWPPBQSA-N 407.514 2.759 0 50 HFAA O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1 917267 NKJNIWOVEMHVKQ-UHFFFAOYSA-N 424.891 2.732 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2OC)cc1 1147682 LVDHMZVCWOOVRS-UHFFFAOYSA-N 418.515 2.958 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2C)n1 6140057 ZJWATJWPUWFCFA-UHFFFAOYSA-N 417.516 2.775 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 11935017 NKLRRIUAMIEWPK-INIZCTEOSA-N 403.914 2.700 0 50 HFAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2cnc3ncnn3c2)cc1C 12072663 JLMHLDDVBWPNKB-LJQANCHMSA-N 401.474 2.663 0 50 HFAA CC(C)NC(=O)c1cn(C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nn1 12218749 LTOUJSCGTADHAN-UHFFFAOYSA-N 407.877 2.615 0 50 HFAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)Cc3c(C)noc3C)C1)CC2 12836093 YACMZEGYOLILNU-IBGZPJMESA-N 413.518 2.900 0 50 HFAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C 15003462 RKEPPBWJXMIKES-OAQYLSRUSA-N 415.538 2.577 0 50 HFAA CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CCCC2)C1 17088030 HQYILQMNTJOLHX-GFCCVEGCSA-N 408.520 2.975 0 50 HFAA CCCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(Br)cc31)C2=O 19321251 AFIWQJDCCKSANZ-UHFFFAOYSA-N 418.335 2.951 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCN3CCC[C@@H]3C2)n1CCCc1ccccc1 19795201 UMTYKXHPMFYJPV-HXUWFJFHSA-N 416.591 2.590 0 50 HFAA O=C(c1cccc(Br)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 82230595 ISOARFFIJXFIQZ-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA CN1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)CC1 104516453 XUKINPGAHZUJSA-HXUWFJFHSA-N 400.592 2.773 0 50 HFAA CC(=O)N1CCc2ccc(S(=O)(=O)NCc3nc(-c4cccs4)c[nH]3)cc21 170619729 CEMNDASMMJCEBA-UHFFFAOYSA-N 402.501 2.526 0 50 HFAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 247832780 HZUAFMAHJJKZTE-MLNNCEHLSA-N 416.477 2.791 0 50 HFAA O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(O)(Cc2cccc(F)c2)CC1 474836166 WROKPLYLVARFNK-IBGZPJMESA-N 417.525 2.650 0 50 HFAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)CC2)c1 1506414486 ZUNSNFUSILDQOK-FQEVSTJZSA-N 406.530 2.634 0 50 HFAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[C@@H]1O 1704335705 DJNAWRHDFDQWFU-BBRMVZONSA-N 408.303 2.620 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)CC1 1776004486 SIZZWMRVTPCJBA-UHFFFAOYSA-N 406.490 2.686 0 50 HFAA CN(C)C(=O)c1cccc(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1 1857684334 JLNRWPAAXDHZRO-UHFFFAOYSA-N 401.488 2.612 0 50 HFAA CCC1(NC(=O)c2cc3c(s2)C2(CCN(C(=O)CO)CC2)OCC3)CCCC1 1857704827 HKCJTKKPOURILX-UHFFFAOYSA-N 406.548 2.583 0 50 HFAA CCc1nnc(N2C[C@@H](C(=O)NCC3(c4ccc(Cl)cc4)CC3)CC2=O)s1 1875243690 SRWLUGQGOPFNRL-LBPRGKRZSA-N 404.923 2.955 0 50 HFAA CN(C)c1cc(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c2ccccc2n1 2100556772 RXXWTUZWSFQQMQ-RIPRBREISA-N 417.509 2.510 0 50 HFAA CCOc1cc(C2C(C(=O)OC)=C(C)N(C)C(C)=C2C(=O)OC)ccc1OC(C)=O 1214101 CLIGWCCVBGQIJV-UHFFFAOYSA-N 417.458 2.934 0 50 HFAA C[C@H]1CN(CC(=O)N2CCN(Cc3ccccn3)CC2)Cc2cc(Cl)ccc2O1 11790590 CJHWHFXLSFHTQC-KRWDZBQOSA-N 414.937 2.662 0 50 HFAA O=C1CCC(C(=O)NCc2nc(NCCCc3ccccc3)c3ccccc3n2)=NN1 12190458 XXFGROPARAEOTK-UHFFFAOYSA-N 416.485 2.557 0 50 HFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2OC)CC1 12709772 DWCZVDHZOBETRD-OAQYLSRUSA-N 404.551 2.604 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2ccno2)n1Cc1ccccc1 19731156 VZLGDXZLGOREHF-UHFFFAOYSA-N 402.520 2.981 0 50 HFAA Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(CN(C)CCn3ccnc3)c2)n1 23310364 FTOLOUCKXTZFTD-UHFFFAOYSA-N 401.474 2.531 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55271043 DTJALEAKQGJYNJ-GOSISDBHSA-N 400.498 2.786 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)n1 72119325 DDQVNOBFQWDANF-UHFFFAOYSA-N 403.552 2.783 0 50 HFAA Cc1nc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cs1 82108033 XSRBMNHRWACLKC-IBGZPJMESA-N 413.591 2.839 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91896660 RSQKTGAKMYPXBC-GOSISDBHSA-N 403.523 2.634 0 50 HFAA COc1cccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c1 169759859 CQNPUMIOAPXNFI-OAQYLSRUSA-N 407.426 2.822 0 50 HFAA O=C(COc1ccccc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770373 BPRWCWOVOBFXBF-UHFFFAOYSA-N 410.449 2.544 0 50 HFAA N[C@@](C(=O)NCCNC(=O)c1ccc(Cl)cc1)(c1cccc(F)c1)C(F)(F)F 225703340 OFFUBBDPRCQATD-QGZVFWFLSA-N 417.790 2.742 0 50 HFAA CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@@]34C=C[C@H]2O4)c1 252430692 FMOSKVRWQNXMOL-ZSTWQFLISA-N 418.449 2.788 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)CC3 498717479 RJQRQIYZBYYDPV-MSOLQXFVSA-N 424.545 2.614 0 50 HFAA Cn1ncc2c(O)nc(CCC(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)nc21 746814308 MOMIPCRMVNUHIT-HNNXBMFYSA-N 417.416 2.797 0 50 HFAA CCN1Cc2ccccc2C[C@H]1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 952868172 CGUWJQLUXQWEHA-PHFHLZEPSA-N 420.561 2.592 0 50 HFAA CSc1ccc2c(C)cc(N3C[C@H]4CN(Cc5cc[nH]n5)C[C@]4(CO)C3)nc2c1 1772704652 OKWHEPAUIWVOPB-OPAMFIHVSA-N 409.559 2.919 0 50 HFAA O=C(c1ccc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc1)N1CCCCC1 1875246407 FTJFGAWUPHZVPF-FGZHOGPDSA-N 406.530 2.970 0 50 HFAA CN(CC(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1)c1ncnc2[nH]cnc12 2325736303 WZSNIKKGLAUVKA-UHFFFAOYSA-N 411.372 2.893 0 50 HFAA Cn1cc(C2CCN(S(=O)(=O)c3cnn(-c4ccc(Cl)c(F)c4)c3)CC2)cn1 2325820212 GRFXCEGNQCLEHS-UHFFFAOYSA-N 423.901 2.967 0 50 HFAA Cn1ncc2c(O)nc(CN3CCC4(CC3)OCCc3c4[nH]c4ccccc34)nc21 2356137771 YWIHGFBHXRSIQX-UHFFFAOYSA-N 404.474 2.614 0 50 HFAA Cn1c(SCC(=O)NCc2cccnc2)nc2sc3c(c2c1=O)CCCC3 908885 KCRKPDLLZDALJV-UHFFFAOYSA-N 400.529 2.677 0 50 HFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1 1066123 QJIWZLCAQJPSGY-UHFFFAOYSA-N 411.483 2.845 0 50 HFAA C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 2881271 BPSSLEBWIPXFPP-INIZCTEOSA-N 421.950 2.843 0 50 HFAA CSc1nsc(SC)c1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 4340430 JPLSPRMSBDOXEW-UHFFFAOYSA-N 417.603 2.604 0 50 HFAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1OC 4536346 FGAFIVCDSYNCEG-KXBFYZLASA-N 404.463 2.834 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)C1 4975836 MQMKUYVWKYFBEL-HZPDHXFCSA-N 421.563 2.693 0 50 HFAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn2C)c(OC)c1 8609928 KLVXTJFAXIYSIL-UHFFFAOYSA-N 421.519 2.859 0 50 HFAA O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CCN(C(=O)c1cn[nH]c1)CC2 11880803 WZQMSHKTEKOHIC-MRXNPFEDSA-N 406.408 2.987 0 50 HFAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1 19774427 NNDVQXUWHULYRT-UHFFFAOYSA-N 419.407 2.811 0 50 HFAA Brc1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 23114649 KQZCQSFZIISZPE-UHFFFAOYSA-N 405.296 2.579 0 50 HFAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(C(C)C)CC1)C2 23354041 KCBFYXNFUMFZBQ-LJQANCHMSA-N 401.599 2.803 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2F)CN1Cc1cccc(Cl)c1 32580850 GTLJNDPUPOEWOF-FPOVZHCZSA-N 419.928 2.974 0 50 HFAA COCCn1c(CN2CCC[C@@H](OC)C2)cnc1S(=O)(=O)C1CCCCCC1 55415077 RAXSLSKQIFLCOP-GOSISDBHSA-N 413.584 2.637 0 50 HFAA COc1ccccc1/C=C/CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 105271489 ALAKGOKTMPRCPG-AVAOGFIGSA-N 401.595 2.950 0 50 HFAA O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)NCc1ccc2c(c1)OCO2 169755551 HYBXQQZKGKTZGE-UHFFFAOYSA-N 406.442 2.705 0 50 HFAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)COc1cncc(Cl)n1 170600654 LOOBJGONRCOPND-UHFFFAOYSA-N 402.760 2.748 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1 230132180 NIPJRDFYHQYARM-RYGJVYDSSA-N 421.563 2.693 0 50 HFAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(OCc2ccccn2)c1 480693908 DNZOOLNQDADIGP-NVXWUHKLSA-N 405.458 2.614 0 50 HFAA Cc1ccccc1-n1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)nn1 487488508 VPQWSLBHOWEWNJ-LJQANCHMSA-N 416.445 2.583 0 50 HFAA COc1ccc(NC2(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)CCCCC2)cc1 1506419141 YKFFTVMBWXFWID-SFTDATJTSA-N 401.551 2.868 0 50 HFAA CS(=O)(=O)NC[C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)nc3ccccc23)C1 1857677309 VTQHSXDKIADTHB-ZBFHGGJFSA-N 401.532 2.950 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)N2CCC(O)CC2)CC[C@@H]1NC1Cc2ccccc2C1 1857688639 UUEMCFOPLLNYQS-VJBMBRPKSA-N 400.563 2.691 0 50 HFAA Cc1cccc(OCC(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(Cc2c[nH]c(=N)s2)C3)c1C 1857704929 LNGCUVIMZVCIHG-IGOJGBNBSA-N 400.548 2.578 0 50 HFAA Cc1nc2ccc(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cc2[nH]1 1857726931 FTNLNAMXXIPPQY-VIZSFHNOSA-N 402.454 2.786 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)(c2ccccc2)CC1 1875369442 ODOFEJKHRLEGJR-HXUWFJFHSA-N 410.436 2.649 0 50 HFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)cc1 890161 OCBOUSWEPXAXRT-LJQANCHMSA-N 402.516 2.726 0 50 HFAA CCCCOc1c(I)cc(/C=C2\NC(=O)NC2=O)cc1OC 2772891 MEZOJKYIEDHFGS-XFFZJAGNSA-N 416.215 2.659 0 50 HFAA COC(=O)CCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 11873141 LVFMYFBNQZXJGZ-HNNXBMFYSA-N 410.461 2.943 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 12073614 YICZTRSJMPZLMH-QGZVFWFLSA-N 400.548 2.778 0 50 HFAA Cc1nc2sccn2c1C(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12434098 XGVXJBGQKQBRCS-ZDUSSCGKSA-N 424.573 2.596 0 50 HFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCCN1CCCC1=O 12458829 RRDWGOVMHOPNAX-UHFFFAOYSA-N 403.542 2.941 0 50 HFAA COC[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)C1 14951445 GSDQLNAPZHMGJP-QGZVFWFLSA-N 400.519 2.965 0 50 HFAA Cc1cc(=O)oc2c(C)c(OC[C@H](O)CN3CCN(c4ccccc4)CC3)ccc12 35686227 NPJLYMXKTVCSMZ-HXUWFJFHSA-N 408.498 2.972 0 50 HFAA COC[C@H](C)NC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72424879 HCBJMBXFLUGUEY-ZDUSSCGKSA-N 414.893 2.991 0 50 HFAA CC(C)Oc1cccc2c1c(NC(=O)CCn1cnnn1)nn2-c1cccc(F)c1 77487336 XRFUMRSJDNWVGP-UHFFFAOYSA-N 409.425 2.967 0 50 HFAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)cc(OC)c1OC 169765732 BKLXFOMAOTVYPM-LJQANCHMSA-N 411.458 2.977 0 50 HFAA COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC1=O 225610403 HOQUGNUAMBFEBB-BBRMVZONSA-N 420.868 2.999 0 50 HFAA O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 225765300 OLFWTICWGBOYEC-KUDNYVPYSA-N 400.500 2.981 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(CCC(=O)NC(C)C)C3)C2=O)c1 426430997 GTJMMTQAKTVKTJ-QFIPXVFZSA-N 405.514 2.564 0 50 HFAA Cc1ccc([C@H](NC(=O)NCC2(CN(C)C)CCCC2)[C@@H](C)S(C)(=O)=O)cc1 437852966 VVIDXFSJIWCGLY-IEBWSBKVSA-N 409.596 2.890 0 50 HFAA COc1ccc(CNC(=O)C2CCN(C(=O)c3cccc4c3CCC4=O)CC2)cc1 952989516 QTZALIYBADEGHF-UHFFFAOYSA-N 406.482 2.993 0 50 HFAA CC[C@]1(C(=O)N2CCc3ccccc3C2)C[C@H]2CC[C@@H]1N2C(=O)Cn1ccnc1C 1704299344 ODZASEUVEPIQMB-DPLHUUCSSA-N 406.530 2.936 0 50 HFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)C2 1772706693 XEGNVHKYTYVCSW-KNQAVFIVSA-N 415.511 2.584 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCCc4ncc[nH]4)CC3=O)sc2c1 1857732630 YSERHBJQTAHAAS-CYBMUJFWSA-N 413.503 2.520 0 50 HFAA NS(=O)(=O)NCCNC(=O)NCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 1875333472 WTYFZAJOBINLRV-UHFFFAOYSA-N 424.526 2.613 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccccc3-c3nn[nH]n3)C2)[C@@H]2CCCC(=O)N12 2356157854 UODGGGWWIFGODX-QXGSTGNESA-N 408.506 2.508 0 50 HFAA CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 882588 OMJWHTFEYSUOAP-IBGZPJMESA-N 418.515 2.576 0 50 HFAA COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 1139420 SXBWQXYDIBDRJJ-UHFFFAOYSA-N 418.393 2.640 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 12299114 HFCVWOOJAQKSHD-LJQANCHMSA-N 412.534 2.804 0 50 HFAA CCN(CC)[C@H]1CCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 12475917 YUWPKESIDONPNO-KRWDZBQOSA-N 416.522 2.553 0 50 HFAA Sc1nnc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1-c1ccccc1 22883100 PSTBPHZVEZZXKS-UHFFFAOYSA-N 409.515 2.603 0 50 HFAA COc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 65362303 NVWBLLHUYIDZMG-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA CN(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1)S(C)(=O)=O 65363054 FZZBQBQDVQBYME-UHFFFAOYSA-N 407.923 2.698 0 50 HFAA CON(C)C(=O)CCSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 225794623 YYNGLWDMKPDVMN-GASCZTMLSA-N 407.540 2.904 0 50 HFAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCCn1c(C)ccc1C 253413023 SUCIGQDHKPVNFP-IBGZPJMESA-N 413.518 2.602 0 50 HFAA biogenic CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1 431157743 XYIHISDYDSNEAE-DOTOQJQBSA-N 423.332 2.985 0 50 HFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nc(O)c3c(C)c(C)sc3n1)C2 670446898 OQKKYWJHNBRWSS-AWEZNQCLSA-N 413.499 2.932 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](CNC(=O)c3cncc(F)c3)C2)c1C 826630310 NOFUPGDOZKECBB-OAHLLOKOSA-N 400.454 2.650 0 50 HFAA COc1ccccc1[C@H](NC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)c1nccn1C 888093290 OSLHJDIKNOTRMT-WMEZAQDKSA-N 412.490 2.945 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(OC)ccc(F)c2F)cc1OC 1529089574 FTFSSHYTWHCICQ-YLJYHZDGSA-N 423.412 2.565 0 50 HFAA CCSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccc(F)c3C)[C@H]3CC[C@]2(C1)O3 1857733042 SCRQKLZKPHLIFR-LTVCHDBBSA-N 406.523 2.623 0 50 HFAA CCCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3nnc(CC)s3)C2)cc1 1857734162 LZRKKULOJLYXGA-OAHLLOKOSA-N 402.520 2.601 0 50 HFAA COc1ccccc1[C@@H]1[C@@H](C(=O)NS(C)(=O)=O)CCC(=O)N1c1ccc(C)cc1 1875391121 RXFMNMLBQMPZFD-FXAWDEMLSA-N 416.499 2.564 0 50 HFAA CCN1CCCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCCN2CC)c1 2325720759 XOJFQWKWQNYIGU-SFTDATJTSA-N 400.567 2.990 0 50 HFAA COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N32)cc(OC)c1O 771852 PDGMWMPMYJLDFI-DNVCBOLYSA-N 423.494 2.964 0 50 HFAA COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 1116994 DJDIKYQXJORMPC-UHFFFAOYSA-N 410.879 2.527 0 50 HFAA Cc1ccc(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)cc1 2989633 IVPXNHAPVKVMOO-UHFFFAOYSA-N 401.535 2.960 0 50 HFAA O=C(NCCO)c1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 9046754 PSOYKLWNTRFSRT-UHFFFAOYSA-N 415.540 2.878 0 50 HFAA C[C@H](NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)c1ncn[nH]1 11771225 XUOOUWXYGAWLCB-HNNXBMFYSA-N 417.517 2.844 0 50 HFAA COc1ccccc1-n1cc(CNC(=O)CN2Cc3ccccc3O[C@@H](C)C2)cn1 12026496 MRMJNDDPKYGCPB-KRWDZBQOSA-N 406.486 2.780 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c1 14239854 AEOABUUZHUAEHS-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA COCCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccon2)n1Cc1ccccc1 19742312 XJDYQNFVQZSARA-INIZCTEOSA-N 418.519 2.533 0 50 HFAA CSc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)cc1 19838193 LPBQEMMYNJYALP-IBGZPJMESA-N 403.592 2.744 0 50 HFAA CN(Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12)C[C@H]1COc2ccccc2O1 23129269 CVPAIEKJJCQHHG-HNNXBMFYSA-N 414.893 2.961 0 50 HFAA O=C(c1ccsc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23373747 PREWLNXLYWUWHX-IBGZPJMESA-N 413.543 2.899 0 50 HFAA COC[C@@H](C)n1c(CCCC(=O)N2CCC3(CCN(C)CC3)C2)nc2cccnc21 77436429 KZOMOJGDZKSCGY-GOSISDBHSA-N 413.566 2.906 0 50 HFAA Cc1ccnc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)c1 82115647 BJCHRWJJOQHTCV-OAQYLSRUSA-N 407.562 2.778 0 50 HFAA CC(C)[C@H](C)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95522874 LQBYBJAJCWDTKI-ZDUSSCGKSA-N 402.944 2.917 0 50 HFAA COc1cccc(CN2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)c1 104401787 VFONBSLQACUBKW-HSZRJFAPSA-N 406.530 2.950 0 50 HFAA CS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2-n2cccc2)cc1 206648941 MKCIPRKTCKYELQ-UHFFFAOYSA-N 407.455 2.714 0 50 HFAA CC(C)n1cnnc1SCC(=O)NCc1cc(Cl)ccc1N1CCOCC1 225591098 QWQZDGFKZGWCBS-UHFFFAOYSA-N 409.943 2.758 0 50 HFAA CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)N1CCOCC1 229906865 PIXYVSJLFROAAR-WUMKDDEVSA-N 405.450 2.827 0 50 HFAA CN(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1CCCOC1 497472746 SQWNFDZMSVMULC-DZGCQCFKSA-N 401.385 2.511 0 50 HFAA O=C1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)c2ccc(F)cc2N1 749845615 ISQVPZOLXPIAMF-UHFFFAOYSA-N 404.352 2.752 0 50 HFAA O=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCN(CCOc2ccccc2)CC1 913126210 IHOOMYGUXNXXPG-HSZRJFAPSA-N 421.541 2.905 0 50 HFAA O=C(NCC1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1)c1cscn1 952980215 JTOPHJSHOVTZGE-UHFFFAOYSA-N 401.467 2.974 0 50 HFAA Cc1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506409984 BWUWKPRGXMLUKP-JTQLQIEISA-N 417.369 2.906 0 50 HFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cnn(Cc2ccccc2)c1 1857737065 VQLLYEFCWPWGLS-XPWALMASSA-N 402.498 2.876 0 50 HFAA O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[C@@](O)(Cc2cccc(F)c2)C1 1875254824 XFFFCYOIHBQQBU-ORAYPTAESA-N 411.399 2.879 0 50 HFAA O=C1CCCc2cc(S(=O)(=O)N[C@H]3COc4cc(Cl)ccc4C3)ccc2N1 1875330218 SJQFIGOCJOHMRL-OAHLLOKOSA-N 406.891 2.897 0 50 HFAA CC(=O)NC[C@H]1CCCCN1C(=O)c1csc(=NC[C@@]2(C(C)(C)C)CCCO2)[nH]1 1875361159 SIKFLCNYQJNYNZ-IIBYNOLFSA-N 422.595 2.703 0 50 HFAA Cc1[nH]nc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1-c1cccs1 2100539484 KIDZHWNBUQBWHN-UHFFFAOYSA-N 408.480 2.990 0 50 HFAA CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1OC 4680213 PZOAPZUZQXZZSX-GOSISDBHSA-N 408.520 2.857 0 50 HFAA CCn1cc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1 11933266 FILXFYYEKCCXRN-QFIPXVFZSA-N 409.578 2.896 0 50 HFAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1 11937173 QRUYWVZDDHAORO-LJQANCHMSA-N 407.518 2.628 0 50 HFAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)Cc2cscn2)CCO3)C1 12183059 CWLOZDOIODYDLT-GOSISDBHSA-N 415.559 2.965 0 50 HFAA COc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-n3cnnn3)c2)cc1OC 12279961 LDFLZZXRDHSMAP-UHFFFAOYSA-N 411.487 2.536 0 50 HFAA O=S1(=O)CC[C@@H](N(CCO)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12446261 ISALEOSCDOPNSJ-OAQYLSRUSA-N 411.527 2.725 0 50 HFAA Cc1ccc(C)c(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1 12447276 PYARBZJFVNWRRD-UHFFFAOYSA-N 400.438 2.803 0 50 HFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCN2CCCCO2)C1 12577286 JOXUBBIKQPZKIO-HSZRJFAPSA-N 418.534 2.827 0 50 HFAA COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@H](O)CN1CCCCC1 12591936 JLNUTBFPLYLVOM-OAQYLSRUSA-N 416.566 2.595 0 50 HFAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C 14750925 OIZDXFYGBBQWHC-UHFFFAOYSA-N 424.549 2.579 0 50 HFAA COc1cccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)c1 19641818 SZPLOCUNWGWUFV-SFHVURJKSA-N 400.548 2.782 0 50 HFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(OC)c1OC)C2 20992287 FRQMHSYYKKNMOI-MRXNPFEDSA-N 400.523 2.659 0 50 HFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCCN(Cc2cccs2)CC1 28036004 LFJJBFSYRUZPBR-UHFFFAOYSA-N 410.543 2.973 0 50 HFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72446791 UUBKLOMUZQWKTG-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA CC(C)(C)n1cnc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)n1 253427711 CADXNJVCGYYAMW-UHFFFAOYSA-N 405.256 2.776 0 50 HFAA O=C(O)CC[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525843 YCNIPFOBPKBQJI-JOCHJYFZSA-N 420.400 2.769 0 50 HFAA CC[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC)C(N)=O 726988517 RGCHYWDSGIVOJE-SFHVURJKSA-N 409.442 2.977 0 50 HFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1conc1-c1ccccc1 952966812 FFGHSTPSTCOKOT-UHFFFAOYSA-N 407.426 2.832 0 50 HFAA CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)ncc1Cl 953077090 BSNXRDSXROGABY-UHFFFAOYSA-N 418.910 2.984 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(OC)c2)C1 1857689484 FRWCGACMCKMZTF-ZFGGDYGUSA-N 415.578 2.524 0 50 HFAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1OC 1857704032 AODAWOYBQFHVAZ-GOSISDBHSA-N 411.502 2.875 0 50 HFAA O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc2[nH]nc(C(=O)O)c2c1 1875302054 YMQZSWHNEIOAAR-KRWDZBQOSA-N 409.442 2.887 0 50 HFAA COCCNC(=O)C1(NC(=O)Cc2ccc(Br)c3ccccc23)CC1 1875344228 HMKPGFYAWWKMIL-UHFFFAOYSA-N 405.292 2.556 0 50 HFAA COc1c(C)cnc(CNC(=O)c2cc3c(s2)CCOC32CCNCC2)c1C 2356144250 PBKQSERJKBKOFK-UHFFFAOYSA-N 401.532 2.850 0 50 HFAA CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1N)c1ccccc1 2875333 HPURDUAMRXUVKT-UHFFFAOYSA-N 403.895 2.979 0 50 HFAA Cc1ccc(F)c(CNC(=O)CCCn2nnnc2CN2CCC(C)CC2)c1F 11844231 DZGOZTSUIRXWJA-UHFFFAOYSA-N 406.481 2.588 0 50 HFAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 11934511 JNCXEKZAEVBHOU-GOSISDBHSA-N 405.458 2.977 0 50 HFAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)N1 11969255 CSXDKNJMBZKDGO-XMMPIXPASA-N 423.488 2.794 0 50 HFAA CCCc1c(C(=O)NCc2ncc[nH]2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 12150941 YNMMIQCZUSVCSW-UHFFFAOYSA-N 408.458 2.539 0 50 HFAA CC[C@H](C)C(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)c2cccs2)C1 12182559 KBFKTYRELHZITO-ZDUSSCGKSA-N 407.561 2.861 0 50 HFAA Cc1ccc(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)cc1C 12191355 WTBMVBFSFJRGEM-UHFFFAOYSA-N 400.544 2.812 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)CC1 12573833 WHSZSOQELYOBFZ-AWEZNQCLSA-N 417.531 2.959 0 50 HFAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)Cc3c(C)noc3C)C1)CC2 12836091 YACMZEGYOLILNU-LJQANCHMSA-N 413.518 2.900 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 19555329 RBBKWQCKNNPUCI-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NC[C@H](C)O)nc2c1=O 72407613 XISABOHRMXCVIH-AWEZNQCLSA-N 414.893 2.893 0 50 HFAA CCCCN1CCN([C@H](C(=O)N2CCC3(CCCC3)C2)c2ccccc2)C(=O)C1=O 77541594 MTNLXTVGRSBNCK-FQEVSTJZSA-N 411.546 2.991 0 50 HFAA COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]3C)C2=O)cc(OC)c1OC 229450821 MQSBRRYKZXDKEO-JVYTYZJESA-N 420.487 2.521 0 50 HFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 245325629 GRQHNJFGNPBKRZ-ANULTFPQSA-N 402.450 2.724 0 50 HFAA C[C@]1(c2cccc(CNC(=O)N[C@@H]3CCCc4c(F)cccc43)c2)NC(=O)NC1=O 1468501593 YEAZZYQOWDIFBQ-XMSQKQJNSA-N 410.449 2.757 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@H](CC(C)C)NC(=O)c2cccs2)[nH]1 1704315404 CCQIEKWDTODNSS-KRWDZBQOSA-N 405.568 2.515 0 50 HFAA CC1=C(CCN2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@@]3(CO)C2)C(C)(C)CCC1 1772812351 GJCKFRUJQPTYMA-WZONZLPQSA-N 400.567 2.703 0 50 HFAA CN(CCO)c1nc(-c2ccccc2)nc2c1CCC21CCN(Cc2cnc[nH]2)CC1 1857684065 XWNPMJSVPSKBMF-UHFFFAOYSA-N 418.545 2.775 0 50 HFAA NC(=O)[C@@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)c1ccc(F)cc1 2325876501 XWMKJJYIDXWQPB-PXNSSMCTSA-N 405.429 2.688 0 50 HFAA COc1cccc(CC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356170793 UTENCEJVZOPVLS-DNVFCKCGSA-N 400.519 2.525 0 50 HFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)cc1O 679475 RYILUGASNDXDPX-GOSISDBHSA-N 401.850 2.999 0 50 HFAA CCOc1ccc(C2C(C(=O)OC)=CN(C[C@H]3CCCO3)C=C2C(=O)OC)cc1 1087835 PMZYTSAEVDDFFM-QGZVFWFLSA-N 401.459 2.777 0 50 HFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCOC)c2ccc(C)cc2)cc1 2945924 UUWCISOZWUFTQA-UHFFFAOYSA-N 420.531 2.742 0 50 HFAA COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 4740193 SUQHCFLWQQPERJ-QHAWAJNXSA-N 421.497 2.976 0 50 HFAA Cc1n[nH]c(O)c1[C@@H](c1ccc(I)cc1)c1c(O)n[nH]c1C 4756277 MMZAYRBFBSTFQE-UHFFFAOYSA-N 410.215 2.946 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1CCCc1ccccc1 11819265 MSQNFMNAAZZMMI-LJQANCHMSA-N 405.564 2.514 0 50 HFAA COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c2C1=O 11913486 AFDUSZBGTWCEKU-KRWDZBQOSA-N 413.518 2.548 0 50 HFAA CC(=O)N1CCN(C(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)CC1 12027098 YLSZWQIIWOYZLH-UHFFFAOYSA-N 418.497 2.951 0 50 HFAA Cn1cnnc1SCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 12300389 OLQBELXTFHXCTF-HNNXBMFYSA-N 404.446 2.565 0 50 HFAA COCCN1CCC(CN(Cc2ccncc2)Cc2cccc(OCCO)c2)CC1 12429274 DKVDWMKOOMFCBG-UHFFFAOYSA-N 413.562 2.813 0 50 HFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCNC(C)=O)CC1 12574278 MWSQBEOCBXDDHC-UHFFFAOYSA-N 403.567 2.918 0 50 HFAA O=C1CN(Cc2nccs2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 14531858 JMDHNWCMKLXFKY-FQEVSTJZSA-N 408.527 2.968 0 50 HFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 15074063 JCGUSNZDBCEYEI-HXUWFJFHSA-N 419.876 2.886 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91350831 INPACRWZCTUXDC-QGZVFWFLSA-N 404.482 2.858 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)Cn3ccnc3-c3ccccc3)CC2)c1 91519088 FUWUJRGFVDXKQI-UHFFFAOYSA-N 404.470 2.543 0 50 HFAA COc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1OC 169772323 YQRLHAHRUAQQJN-UHFFFAOYSA-N 410.396 2.783 0 50 HFAA CCN(CC)[C@@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 239667701 BRNKSIMEXWNEMR-OALUTQOASA-N 423.554 2.734 0 50 HFAA CC(C)=CCN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 299782308 MMCQXIKXPXWNCR-SJORKVTESA-N 408.428 2.590 0 50 HFAA CCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccno2)(c2cccc(C(F)(F)F)c2)C1=O 299803079 WCMAQGQOGSQRLF-IBGZPJMESA-N 423.391 2.759 0 50 HFAA C[C@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1nnc2n1CCC2 685110091 DIAXDMKGAHEBQR-NSHDSACASA-N 408.865 2.736 0 50 HFAA O=C(O)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CC12CCN(Cc1ccncc1)CC2 1857702875 RYIHBGBXPSUGOT-SFHVURJKSA-N 405.502 2.757 0 50 HFAA CCOc1ccc(OCc2nc([C@H]3CC[C@@H](O)[C@H](N)C3)n(-c3cccc(C)n3)n2)cc1 1857714907 RSSXEUZJMDMOIE-PWIZWCRZSA-N 423.517 2.904 0 50 HFAA O=C(c1ccc(Cn2cccn2)o1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857724030 ITCLXLIPPCTRHY-DYESRHJHSA-N 402.454 2.748 0 50 HFAA c1cncc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)c1 1875379997 BSGMVYLDUXHAHB-UHFFFAOYSA-N 400.446 2.700 0 50 HFAA COc1ccccc1[C@H]1[C@@H](C(=O)NS(C)(=O)=O)CCC(=O)N1c1ccc(C)cc1 1875391122 RXFMNMLBQMPZFD-PXNSSMCTSA-N 416.499 2.564 0 50 HFAA Cc1ccc(-c2nc(-c3ccoc3)nn2CCS(C)(=O)=O)cc1-c1cnn(C)c1 2325873112 ZTLLVAOZOIAPDZ-UHFFFAOYSA-N 411.487 2.959 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356164526 WIHFZPKVFFGILU-HXUWFJFHSA-N 403.504 2.637 0 50 HFAA FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCCC[C@@H]2c2cccnc2)n1 1089483 CIQJGLKJWOXUNZ-OAHLLOKOSA-N 424.427 2.776 0 50 HFAA COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1I 1116675 CRNQGJGWTRTVSD-UHFFFAOYSA-N 417.268 2.821 0 50 HFAA Cc1cccnc1-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 1211946 XBMCNXAZNGLRNA-UHFFFAOYSA-N 410.433 2.928 0 50 HFAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 4828832 WZFSEZPZGPYOFV-UHFFFAOYSA-N 408.487 2.789 0 50 HFAA Cc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccn1)S(C)(=O)=O 6208071 WKSUIGZJDRTCPE-UHFFFAOYSA-N 413.952 2.718 0 50 HFAA CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 8080910 KEHNFADIJOMUKE-UHFFFAOYSA-N 404.488 2.531 0 50 HFAA CC(C)Cn1cc(C(=O)NCCc2ccccn2)c(=O)c(C(=O)NC2CCCCC2)c1 12248061 OTZRODBTQNCVBV-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)CN(C)C(C)C 15064815 LQJXCSLYPLQOIZ-LJQANCHMSA-N 404.555 2.747 0 50 HFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)n1 72139267 DXDHLNTTXVLJSV-UHFFFAOYSA-N 419.327 2.968 0 50 HFAA C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](CN(C)CC2CC2)C1 221818604 SKCKJVPXLZNXFF-KZWFYYSKSA-N 416.610 2.833 0 50 HFAA C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245284451 RWARBODJXCZBDL-ICAQPKAASA-N 412.486 2.544 0 50 HFAA O=CN1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)ccc21 915658850 HKAPZAYJSBJQMA-XMMPIXPASA-N 417.465 2.562 0 50 HFAA Cc1cc(OC[C@@H](O)CNC2CCN(C(=O)c3cccnc3)CC2)ccc1Cl 1506423706 YZENEMRXBMCAMB-SFHVURJKSA-N 403.910 2.678 0 50 HFAA O=C(c1ncc(F)cc1F)N1CCCN(C2CCN(Cc3ccco3)CC2)CC1 1800410615 XJLGPCDFUBHSRE-UHFFFAOYSA-N 404.461 2.765 0 50 HFAA NC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3F)cc2)cc1 1875259232 JMMUJVNTAWNSPY-IBGZPJMESA-N 407.401 2.673 0 50 HFAA O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1)[C@@H]1Cc2cc(F)ccc2O1 1875325580 PSAYGGRVGJCZJO-PWDZPPDVSA-N 412.436 2.835 0 50 HFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC3(CCCCO3)CC2)[C@H]1c1ccccc1 2356151360 FPVQAAXDMXJMTB-RTWAWAEBSA-N 400.519 2.925 0 50 HFAA COc1cccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1C 2356155741 LKXUYIXNVPBJOB-BSRJHKFKSA-N 400.519 2.904 0 50 HFAA Cc1cc(F)ccc1NC(=O)CN(c1cccc(-n2cccn2)c1)S(C)(=O)=O 2356159428 ADLIUDWQCBYBBI-UHFFFAOYSA-N 402.451 2.725 0 50 HFAA CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11819632 ZAQRVDJPMNUXNV-HNNXBMFYSA-N 417.462 2.996 0 50 HFAA Cc1ccccc1[C@@]1(CC(=O)N2CCC(O)CC2)CC(=O)N(Cc2ccccc2)C1=O 12039999 ZXHGRRXUJPOGDK-RUZDIDTESA-N 420.509 2.565 0 50 HFAA CCCN1CCC([C@]2(CC)NC(=O)N(C[C@H]3COc4ccccc4O3)C2=O)CC1 12154509 XFBHYEJUJQQMSX-JTSKRJEESA-N 401.507 2.649 0 50 HFAA COCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)C1CCCCCC1 20516101 DHFXUNQGHQWJFL-UHFFFAOYSA-N 410.540 2.646 0 50 HFAA CC(C)Cn1c(CN2CC[C@@H](N(C)C)C2)cnc1S(=O)(=O)Cc1ccccc1 22914011 NYGZQTCOECRYMV-LJQANCHMSA-N 404.580 2.649 0 50 HFAA CC1=NO[C@@H](C(=O)Nc2nn(CC(F)(F)F)c3cccc(N4CCOCC4)c23)C1 72469239 FHBUHBOWLVLVPW-CQSZACIVSA-N 411.384 2.539 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)c2ccccc12 170594038 RIKVGDOMWOOPEB-INIZCTEOSA-N 403.460 2.692 0 50 HFAA CCOc1ccc(-c2nc(CN(C[C@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 225571694 RGRLKYUPPHWHST-HNNXBMFYSA-N 424.588 2.969 0 50 HFAA CCN(C[C@H]1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1)CC(F)(F)F 433444201 SFBHTWLYTDKQTO-GFCCVEGCSA-N 413.444 2.940 0 50 HFAA CCOc1ccc(S(=O)(=O)NC(=O)c2cc(Br)cn2C)c(C)c1 789491784 KHXUFVPTBULKPZ-UHFFFAOYSA-N 401.282 2.613 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)s1 820621468 VRALIMGIKAVKBP-AWEZNQCLSA-N 411.549 2.945 0 50 HFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@@H]2CCn3nccc3C2)CC1 1857667849 YDYXZAVQCDIVKJ-QGZVFWFLSA-N 402.926 2.631 0 50 HFAA CCCc1nnc(N2C[C@@H](C(=O)NCCc3cccc(OC(C)C)c3)CC2=O)s1 1857722778 NQMUSTMGMSDUSM-INIZCTEOSA-N 416.547 2.990 0 50 HFAA COc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cn3ccccc3=O)c2)C1=O 1875253159 CXEKNFBUNUGWPX-SFHVURJKSA-N 403.438 2.649 0 50 HFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2cccc3c2CCC3=O)CCCCN1 2100533674 DODJXIYCJLGLHS-GOSISDBHSA-N 411.546 2.802 0 50 HFAA CCn1cc(C(=O)N2CCCCCCC2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726743 NDIQIMISUUYATR-UHFFFAOYSA-N 414.525 2.976 0 50 HFAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C)c3F)C2)CCC1=O 2325864073 FWZKZAOHEWQJOI-DLBZAZTESA-N 403.498 2.504 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1 798687 RJHNMUVURYGTFS-UHFFFAOYSA-N 408.907 2.820 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1 4144346 JLYNOMVNFPMSSJ-VKJFTORMSA-N 412.339 2.938 0 50 HFAA C[C@@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 4770438 VDNNOHFMVQUDRY-IIBYNOLFSA-N 400.500 2.964 0 50 HFAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)O)cc1 6624368 OTTSLIVXLRPURC-RBZFPXEDSA-N 414.458 2.843 0 50 HFAA biogenic O=C(N[C@H](c1ccccn1)C(F)(F)F)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11785644 QEIWYDUSKKRRLH-DLBZAZTESA-N 407.348 2.918 0 50 HFAA O=C(CCC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1)NCc1cccc(Cl)c1 12713336 FVBHXXABDIGXPN-SFHVURJKSA-N 405.926 2.644 0 50 HFAA CC(=O)c1sc2[nH]c(SCC(=O)NCCc3ccccc3)nc(=O)c2c1C 17968891 QHSJTWOZCBBIHA-UHFFFAOYSA-N 401.513 2.947 0 50 HFAA CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC 25665201 LTJQSTNUVQFFAX-XIRDDKMYSA-N 410.536 2.738 0 50 HFAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 55036360 UJRKMYCBDXXMQI-QFIPXVFZSA-N 420.488 2.582 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cnc(SC)nc2)C[C@H]1CCO 104318267 BSBBTILVHWMMCP-LJQANCHMSA-N 402.564 2.666 0 50 HFAA COc1cc(C2(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CCCC2)ccc1C 460456253 GFPFTQORTQSFKY-GOSISDBHSA-N 410.518 2.861 0 50 HFAA CN(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)CN3CCCCCC3)C2)cc1 952987125 JMIBFFGPTVNDBI-IBGZPJMESA-N 400.567 2.597 0 50 HFAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)c2c(O)nc(=O)n(C)c2n1 1506422398 AREYKUBKOXLZEO-INIZCTEOSA-N 422.485 2.676 0 50 HFAA CCOC(=O)c1coc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857673462 STYQFFZSKBQQAL-JOCHJYFZSA-N 421.457 2.893 0 50 HFAA O=C(COc1cccc(Br)c1)OCCN1C(=O)c2ccccc2C1=O 948361 APNMGNAXYLOPNK-UHFFFAOYSA-N 404.216 2.667 0 50 HFAA Cn1ncc2c1ncn1nc(-c3cccc(Cn4cc(Br)cn4)c3)nc21 2802700 UJBPUAMJNGABMW-UHFFFAOYSA-N 409.251 2.685 0 50 HFAA CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 4217959 XWXWMOIWALSJEV-UHFFFAOYSA-N 414.940 2.793 0 50 HFAA C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 4954536 YTDZKSCQSJXIAA-GOEBONIOSA-N 401.536 2.532 0 50 HFAA CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1ccccn1 6605353 RHGFTNWWPKRWTK-UHFFFAOYSA-N 403.489 2.939 0 50 HFAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(OC)c1 12130351 XUMAFELSWJKYJP-SFHVURJKSA-N 413.522 2.759 0 50 HFAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2ccccc2SC)on1 15071087 GZYXOZILIXBLIR-AWEZNQCLSA-N 420.487 2.770 0 50 HFAA C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 20201539 WYAZPOXONVQNSY-CYBMUJFWSA-N 407.440 2.942 0 50 HFAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 20204106 KGBKEFYMBUMWCI-QFIPXVFZSA-N 412.530 2.859 0 50 HFAA COc1cc(CN(c2cn(C)nc2C)S(C)(=O)=O)ccc1OCC(F)(F)F 20602664 HCQVSZBRNCLOSX-UHFFFAOYSA-N 407.414 2.644 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1 39490265 WOTGEHCSQZAPNI-FQEVSTJZSA-N 400.519 2.868 0 50 HFAA Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCC2)n1 65363740 HUGYTHIAOPORKQ-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA O=C(c1ccc(O)cn1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72161197 KSBNTZZIPWRAEQ-GOSISDBHSA-N 400.910 2.867 0 50 HFAA COCCN(C)C(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72475104 WJIWGEREEPHZOH-UHFFFAOYSA-N 412.465 2.987 0 50 HFAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OCC)c1 138097654 HDVYGGKAJXYBJQ-IYVPYFHTSA-N 403.431 2.725 0 50 HFAA COc1cccc2c1ccn2CC(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206235932 IOLNAICRRGVINR-LJQANCHMSA-N 418.453 2.845 0 50 HFAA COc1cc(-c2onc(N3CCN(C4CCCC4)C(=O)C3)c2C(=O)O)ccc1F 1704354970 JTAZTTBPBVJRST-UHFFFAOYSA-N 403.410 2.779 0 50 HFAA O=C(O)CC[C@]12CN(Cc3cccc(Cl)c3)C[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1772809155 NPKXZRHAQKVSHZ-FOIQADDNSA-N 402.882 2.502 0 50 HFAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccccc43)CC2)NC1 1772815086 IQAFYIYIHSORCE-GOSISDBHSA-N 408.546 2.695 0 50 HFAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)CSC)C[C@@]2(CCc2ccccc2)C1 1772819230 HQJAJGLNCJZGEL-CTNGQTDRSA-N 424.632 2.873 0 50 HFAA Cc1cc(NC(=O)N2CC[C@@H](c3ncnc4ccccc34)C2)cc(S(N)(=O)=O)c1 1875316982 KMWVLHWLPVKPJC-CQSZACIVSA-N 411.487 2.607 0 50 HFAA Nc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)nc(C2CCOCC2)n1 2325841041 ATTNNWYBVIGWJO-UHFFFAOYSA-N 409.321 2.981 0 50 HFAA COc1cccc(OCc2cn(Cc3ncoc3CNC(=O)[C@@H](C)C(C)C)nn2)c1 2325863583 PAXPGQDRRGXNMF-HNNXBMFYSA-N 413.478 2.810 0 50 HFAA Cn1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O 2356135476 GRDIDYLHQCRQHM-XMMPIXPASA-N 400.482 2.963 0 50 HFAA COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1 875747 BJSWKAANLKOIPK-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 1063136 KBWZDOAQASWBLH-KRWDZBQOSA-N 419.522 2.637 0 50 HFAA COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1 2855424 UZGXHBRBKLSXBX-UHFFFAOYSA-N 404.463 2.860 0 50 HFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O 4734562 GDTNUBDCJPYULZ-SFHVURJKSA-N 412.467 2.646 0 50 HFAA CC1=C(C)C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H](C(=O)O)C1 4818908 FFCAWQQEPFXANX-ROUUACIJSA-N 400.475 2.507 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CCCO)C2)n1Cc1ccccc1 12313764 QFAPTRFVPOYMGE-SFHVURJKSA-N 405.564 2.710 0 50 HFAA COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 12406234 SUQHCFLWQQPERJ-PWRODBHTSA-N 421.497 2.976 0 50 HFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1cnn(C)c1)CC2 14748651 ACALXKUIZZRWPM-UHFFFAOYSA-N 407.518 2.984 0 50 HFAA COc1cccc(CN(C)Cc2ccc(F)cc2)c1OC[C@H](O)CN1CCOCC1 15066235 HHNAXXYZPMNQQV-OAQYLSRUSA-N 418.509 2.538 0 50 HFAA CCOC(=O)c1csc(CCNC(=O)c2cn(Cc3ccccc3Cl)nn2)n1 15079489 MHWZZHJLARAAPC-UHFFFAOYSA-N 419.894 2.586 0 50 HFAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1 16527362 JBDOJIGHMKLOHY-UHFFFAOYSA-N 422.510 2.845 0 50 HFAA CCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)CC1 19744834 BBWLWMXHQKDJQW-RTWAWAEBSA-N 407.002 2.881 0 50 HFAA COc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 77137526 FIVNQXRTXWLHFX-UHFFFAOYSA-N 406.490 2.559 0 50 HFAA CN1CCN([C@H]2CCN(Cc3c(F)ccc(Cl)c3F)C[C@H]2CCCO)CC1 91694795 YEGYREJSKPAUCR-BEFAXECRSA-N 401.929 2.829 0 50 HFAA COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1 170623107 HETBIKMHZZTEOH-TXEJJXNPSA-N 412.439 2.620 0 50 HFAA CCN(CC)C(=O)C1CCN(CCCN2CCC(C(=O)N(CC)CC)CC2)CC1 221082026 RGRVIYVMMQGIIQ-UHFFFAOYSA-N 408.631 2.537 0 50 HFAA O=C(N[C@H](CO)c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 253414420 XKZUYZYFOGYXIK-GOSISDBHSA-N 408.907 2.733 0 50 HFAA CC1(C)CN([C@@H](CNC(=O)c2cnn3ncccc23)c2ccc(Cl)cc2)CCO1 434115072 PPAQNLOLYFOPSZ-IBGZPJMESA-N 413.909 2.965 0 50 HFAA CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cnn(CCN3CCOCC3)c1)CCC2 478732075 KCCJQAJXBBKXHB-QGZVFWFLSA-N 418.567 2.776 0 50 HFAA C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1[C@@H](O)c1ccccn1 1297426234 ISAUAARTUDMZJB-LHSJRXKWSA-N 415.453 2.797 0 50 HFAA O=C(c1ccn(C(F)F)n1)N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 1529155276 PRBPEGYMTYEDEM-UHFFFAOYSA-N 400.433 2.812 0 50 HFAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)CSC)C[C@]2(CCc2ccccc2)C1 1772819235 HQJAJGLNCJZGEL-TZIWHRDSSA-N 424.632 2.873 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCc2cn[nH]c2)CC1 1857682009 FTCQVGSSERMAKK-UHFFFAOYSA-N 416.529 2.770 0 50 HFAA COc1cccc2c1OC[C@@H](NC(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 1857698779 HWWCZMWLUFMOIR-INIZCTEOSA-N 414.527 2.642 0 50 HFAA Cc1ccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1C 1857713586 RCXBHLSOCSUOSJ-UHFFFAOYSA-N 422.529 2.756 0 50 HFAA Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@]2(C)CCN(C)C2=O)c1Cl 2325821008 QRCIGGFGAMVLAY-PSUSHLJKSA-N 423.966 2.830 0 50 HFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCN1CCN(Cc2ccccc2)CC1 2356154525 YYJLBLZCEMYBRF-UHFFFAOYSA-N 406.486 2.691 0 50 HFAA O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 4247851 RMWIXUKKMWZLPB-QFIPXVFZSA-N 417.509 2.875 0 50 HFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4764049 WBNBQGONUNEUHO-UXHICEINSA-N 412.486 2.982 0 50 HFAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(Cl)cc1 11662075 RQAFJYMSZSRWEV-LJQANCHMSA-N 415.921 2.746 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 12078567 UYONEWIEYWKRLJ-MOTZXUDYSA-N 412.465 2.818 0 50 HFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 13676673 NPRWEDTUJFDBDX-UHFFFAOYSA-N 418.471 2.519 0 50 HFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)C(C)(C)C)C3)cc1 14732771 RZLFPVJCLGDTFR-UHFFFAOYSA-N 424.545 2.957 0 50 HFAA C[C@H](NC(=O)c1ccc(CN(CCO)Cc2ccccc2)[nH]c1=O)c1cccs1 14997497 MGSMFATWJLBOSI-INIZCTEOSA-N 411.527 2.922 0 50 HFAA C[C@@H](c1ccon1)N(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23359564 MKJWHIQBVQPVPX-KRWDZBQOSA-N 409.490 2.814 0 50 HFAA COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CCC(=O)[C@]21C 222165360 WRVBJIVZZAJHJM-ANLLKEILSA-N 418.486 2.787 0 50 HFAA biogenic Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N[C@H]1CCCC[C@@H]1C 242346860 ZJRONSZKOXIAAV-ITSWEJNFSA-N 423.561 2.657 0 50 HFAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C 822831077 RQGQZRJKKHQIEH-QGZVFWFLSA-N 405.520 2.980 0 50 HFAA Cc1noc(C)c1C(=O)NC[C@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 828135221 ARJPTXFFCHQOCS-MRXNPFEDSA-N 403.552 2.990 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(c2ccc(CN3CCOCC3)cn2)CC1 1704340870 VYXMOLWANABFRM-UHFFFAOYSA-N 409.530 2.991 0 50 HFAA Nc1ccnc(N2C[C@H]3CN(Cc4ccc(Cl)s4)C[C@@]3(CCC(=O)O)C2)n1 1772809086 LWFIWTUSFKSMGC-XIKOKIGWSA-N 407.927 2.577 0 50 HFAA CCOc1ncccc1C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)Cc1ccc(F)cc1F 1775983850 DAHNYHQJVJKQOZ-KXBFYZLASA-N 415.440 2.674 0 50 HFAA O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857673098 NOKFIUXSYVYNFN-MRXNPFEDSA-N 410.474 2.937 0 50 HFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2cccc(Cl)n2)c2c1[C@H](C)CC2=O 2325900847 LHNXEJXEPYZEOD-LLVKDONJSA-N 408.863 2.617 0 50 HFAA CCOc1ccc(-c2cn(C3CN(C(=O)CC4CCN(C)CC4)C3)nn2)cc1F 2325901680 SVWNQOQXBDUSOU-UHFFFAOYSA-N 401.486 2.598 0 50 HFAA O=C(c1cnc2ccccn2c1=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356164297 NSXZVHGHVLBMDN-UHFFFAOYSA-N 414.465 2.880 0 50 HFAA Cn1ncc2ncc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccc(Cl)cc5)CN4C3)cc21 2356166140 VWZPRRZCEHHRLG-ABSDTBQOSA-N 411.893 2.566 0 50 HFAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 805005 QUOJTLGHBHAJQE-UHFFFAOYSA-N 407.923 2.603 0 50 HFAA CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)ccc1O 1129350 NLNIYUZAXMSBKW-LJQANCHMSA-N 422.445 2.714 0 50 HFAA CCOc1ccc(CCNC(=O)CCc2c(C)nc3ncnn3c2C)cc1OCC 4936045 RMSLPLNHDBYKOJ-UHFFFAOYSA-N 411.506 2.830 0 50 HFAA O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1nc[nH]n1 5448675 CTFXORHFNIBJEZ-UHFFFAOYSA-N 410.865 2.673 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 11785691 IROFMTIUASKAKV-SFHVURJKSA-N 420.513 2.963 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)CC3CCCC3)CC2)CC1 11816610 ZUUGAWRCEFCIRP-OAQYLSRUSA-N 405.583 2.565 0 50 HFAA Cc1cccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)n1 11912408 QNJJQKUCFNMVSR-HSZRJFAPSA-N 408.546 2.746 0 50 HFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 11978319 WCAWEPGHCXFZBU-QGZVFWFLSA-N 407.401 2.674 0 50 HFAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)ccc1C 16649107 CNKSDLAEMDSKHC-UHFFFAOYSA-N 402.454 2.766 0 50 HFAA COc1ccc(S(=O)(=O)NCCCn2nc(C)c(Br)c2C)cc1 17082327 QDPZPNLVXMOUFU-UHFFFAOYSA-N 402.314 2.640 0 50 HFAA CN(Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)C[C@H]1CCCCO1 55211559 QCKLHSKEHYGMDI-HXUWFJFHSA-N 405.564 2.920 0 50 HFAA CN(Cc1cc2ccccc2s1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O 55327458 HEQNBNWZWUGBMR-OALUTQOASA-N 402.541 2.767 0 50 HFAA CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)C1CCSCC1 77288058 BWVCEANLIVAYOC-VWNVYAMZSA-N 404.576 2.845 0 50 HFAA Cc1cccc(OCC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 169770465 RRUVXKZIKXOZOX-UHFFFAOYSA-N 424.476 2.852 0 50 HFAA Cc1ccn2c(=O)c(C(=O)N3C[C@H]4CCC[C@@]4(c4nc(C(C)C)no4)C3)cnc2c1 328605239 MTHAZAXKAFIOFG-IVZQSRNASA-N 407.474 2.703 0 50 HFAA Cc1ccc(-c2cc(C(=O)NCCCNS(=O)(=O)c3ccc(C)cc3)n[nH]2)cc1 825180627 PXQFOWLMFDTXEA-UHFFFAOYSA-N 412.515 2.792 0 50 HFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2)n1 952977688 UPLVVJCGHVWKQJ-INIZCTEOSA-N 409.490 2.774 0 50 HFAA Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CCCNC(=N)N)C3)cc1 1875351615 CFDOIWZIXJBBOK-UHFFFAOYSA-N 408.506 2.787 0 50 HFAA Cc1cnn(C2CCN(C(=O)C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)c1 2325747337 YIHFOEOLDNJVRM-UHFFFAOYSA-N 420.473 2.921 0 50 HFAA C[C@@H](C(=O)NC[C@H]1CCCO1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 785772 AFRRCXZKHXCBMJ-OXJNMPFZSA-N 418.515 2.929 0 50 HFAA NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 1161657 SHJMEGPNGLKXCO-UHFFFAOYSA-N 417.712 2.779 0 50 HFAA CCn1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@@H](C)C3)n1 6730548 UKEGKMFZZBAACH-CYBMUJFWSA-N 402.520 2.814 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3cnc(N)nc3)cc2)n1 12075544 AGTGCIMUUVZCNG-FQEVSTJZSA-N 405.506 2.855 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCCc1ccncc1)C2 14530756 LLKFUMLWPJQDQJ-SFHVURJKSA-N 407.493 2.574 0 50 HFAA N=c1n(CCCOc2ccc(Br)cc2)c2ccccc2n1CC(N)=O 20069506 NKKUVVUZWMJIOD-UHFFFAOYSA-N 403.280 2.639 0 50 HFAA O=C1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H](OCC2CC2)CN1Cc1ccccc1 20208324 HVMVQUIRXHTTEG-JTHBVZDNSA-N 420.509 2.656 0 50 HFAA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1cccc2nonc12 22752319 PFWIOJOWWBOMEY-UHFFFAOYSA-N 403.845 2.772 0 50 HFAA CCCO[C@@H]1CCCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)C1 67641451 GYKLAAPOWFEVIM-QGZVFWFLSA-N 419.595 2.565 0 50 HFAA Cc1ccc(-c2cn3c(C(=O)N4CCc5c(c(CO)nn5C)C4)csc3n2)cc1 67852153 YNRYIXLTLDBLHK-UHFFFAOYSA-N 407.499 2.796 0 50 HFAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC[C@H]1CCCO1)CC2 247940386 IIGWCBHLUMZOKX-NTKDMRAZSA-N 410.514 2.947 0 50 HFAA O=C(CN1CCc2ccccc2C1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 468818633 DGURIMSKFXUMNG-UHFFFAOYSA-N 417.469 2.536 0 50 HFAA O=C1C[C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CN1C1CCCC1 670453415 LMONYDXHRFWSQK-GFCCVEGCSA-N 406.426 2.655 0 50 HFAA CC(C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)n1 821483398 UECYOJIKFAGBEW-LBPRGKRZSA-N 406.464 2.683 0 50 HFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)s1 1506417441 IPHNZWNDDUCPJG-CYBMUJFWSA-N 404.492 2.889 0 50 HFAA Cc1nc(CNC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)cs1 1857672697 XIQAKXQNKJBEFA-AWEZNQCLSA-N 413.528 2.563 0 50 HFAA Cc1ccc2cc(-c3nccn3CC[C@H]3CNCCO3)c(N3CCOCC3)nc2c1 1857673639 WWRQFVOGZMTWPD-IBGZPJMESA-N 407.518 2.622 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCc3cc(O)no3)C1)CC2 1857709464 ZAUKOUGGWCTHGP-OAQYLSRUSA-N 400.479 2.613 0 50 HFAA Cc1cc(Br)cc2cc(C(=O)NCC[C@@H](C(=O)O)c3cn[nH]c3)[nH]c12 2325851861 LMVPEHKJHYKPEH-CYBMUJFWSA-N 405.252 2.950 0 50 HFAA O=C(Nc1ccc(-c2nnc3n2CCOC3)cc1)c1cnc(O)cc1C(F)(F)F 2325866552 PFWMHUGYGRZPFL-UHFFFAOYSA-N 405.336 2.847 0 50 HFAA CCn1cc(NC(=O)[C@@H](C)n2ncc(Cl)c2C)c(C(=O)NCc2ccco2)n1 2800688 PWNIBXQQFANNGX-GFCCVEGCSA-N 404.858 2.784 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1OC 2999114 RZEWNNLWLWTKMO-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CC1 6701290 MYIVYXQYYNVYLC-UHFFFAOYSA-N 416.499 2.575 0 50 HFAA CCCCn1c(CN2CCC([C@H](O)c3ccccn3)CC2)cnc1S(=O)(=O)CC 11661981 HAQQCCQLLXQXTP-FQEVSTJZSA-N 420.579 2.817 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2)CN1Cc1c(F)cccc1F 12183526 VWEHEUZIAWQAIO-KUHUBIRLSA-N 404.413 2.519 0 50 HFAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427343 HRMXAWGZWPUXLM-FCEWJHQRSA-N 422.359 2.828 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3C)CC2)c1C 13678237 DUOBSERRABJNFJ-UHFFFAOYSA-N 401.532 2.946 0 50 HFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 14534059 SMGMWYDHINRFTA-UHFFFAOYSA-N 422.508 2.926 0 50 HFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1coc(Cn2cnc3ccccc32)n1 15064167 NHEFXEPYVZMZTD-OAHLLOKOSA-N 404.426 2.985 0 50 HFAA CCCCn1c(CN(CC)CCn2cccn2)cnc1S(=O)(=O)CC1CCC1 20775353 JYRZHTHPAJDLJL-UHFFFAOYSA-N 407.584 2.976 0 50 HFAA CCOc1ccccc1CN1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 22752392 XOJADUDZAHNHNG-UHFFFAOYSA-N 411.531 2.846 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2ccncc2C)[C@H](c2cccc(F)c2F)N1C 39485630 RDNGMAIEXNBGAI-IEZWGBDMSA-N 403.429 2.519 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC 39544210 NDZIXFTZRHNKQL-HXUWFJFHSA-N 418.509 2.920 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3CCCN(Cc4cccs4)CC3)ccc2N1 46760576 HROWNORRNPZQOF-UHFFFAOYSA-N 405.545 2.529 0 50 HFAA O=C(NC1(CO)CCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82100099 GPYIXQMXIDMGLA-NRFANRHFSA-N 414.594 2.569 0 50 HFAA O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 239434107 YZPJZVYRNIYICZ-ILRDRHFLSA-N 402.406 2.949 0 50 HFAA O=C(c1ccc(F)cn1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 328589785 CKVVDMVXRIQILW-UHFFFAOYSA-N 416.254 2.822 0 50 HFAA CCOc1c(OC)cc(CN[C@@H](Cc2ccc3c(c2)OCO3)C(=O)O)cc1OC 426788145 KTFSWJPLYWQDAK-HNNXBMFYSA-N 403.431 2.617 0 50 HFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@H]2CSCCS2)c1 728835577 GDSCRVPMHIOWMN-GOSISDBHSA-N 401.557 2.966 0 50 HFAA O=C1CCCCN1Cc1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1 775980022 MVSBALKSVATOLT-UHFFFAOYSA-N 412.511 2.629 0 50 HFAA O=C(CN1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1)NCC(F)F 952891769 CCPOIGMAYBOQOA-INIZCTEOSA-N 422.329 2.763 0 50 HFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nc(C)nc3sccc13)CC2 1772703909 KVJNLMZVZHNMBF-UHFFFAOYSA-N 409.519 2.630 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc3cc[nH]c3c2)C1 1857683795 YGXHLUGNCQEAGP-OTNCWRBYSA-N 424.589 2.997 0 50 HFAA CC(C)(CF)CS(=O)(=O)NS(=O)(=O)c1ccc(Cl)cc1Br 1875335609 YCNIJYXTKRMGPP-UHFFFAOYSA-N 422.725 2.706 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC 5167037 VHXQZFORACMZMV-KCZVDYSFSA-N 416.426 2.879 0 50 HFAA CCOc1ccc(OCC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1 6818960 DTXNEKROZDTYEE-UHFFFAOYSA-N 421.519 2.859 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)nn1 11841942 IIPLCAZBBCCUFS-UHFFFAOYSA-N 421.904 2.863 0 50 HFAA COc1cccc(OCc2cc(C(=O)NCCSc3nnc(C)s3)no2)c1 11999333 IQPYGXKBNQZSKB-UHFFFAOYSA-N 406.489 2.944 0 50 HFAA CCN(CCN(C)C)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C 12278853 NOFZSHIACLUSOK-UHFFFAOYSA-N 408.506 2.670 0 50 HFAA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@@H](C)C3)CC1 13323631 OAIQWJVXBJTNAL-GFCCVEGCSA-N 403.548 2.962 0 50 HFAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCN2CCCC2)c1=O 14975717 ZYSAAQHRVFEFRN-UHFFFAOYSA-N 416.566 2.565 0 50 HFAA CCOc1cc(CN2CCC[C@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)ccc1O 15073017 UUMVKFFOEPOAEQ-SFHVURJKSA-N 415.538 2.777 0 50 HFAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CC2)C1 17088034 KFDNOZHVOSYOMK-LLVKDONJSA-N 408.520 2.831 0 50 HFAA O=S(=O)(c1ccc(NC(=S)Nc2cc(F)ccc2F)cc1)N1CCOCC1 17089542 KHEKIEHXTHMEBX-UHFFFAOYSA-N 413.471 2.795 0 50 HFAA C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 17783995 ABYOYJMERLCWPS-ZDUSSCGKSA-N 420.498 2.835 0 50 HFAA CCN(CC)CCN[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 19792559 ZBPQWCBGXQQWOP-IBGZPJMESA-N 403.615 2.954 0 50 HFAA COc1ccc(CNCCCC2CCCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20208109 IWHPPFALAUJSMY-JOCHJYFZSA-N 419.610 2.742 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)CC1 20778738 NEVJDVLLWJDNGQ-IBGZPJMESA-N 406.640 2.763 0 50 HFAA Cc1cnc(CN2CC3(CCC2=O)CCN(CCn2cc(Cl)cn2)CC3)cn1 95370052 PEBSHPOFAYKGCJ-UHFFFAOYSA-N 402.930 2.540 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br 101087218 GBXKLGJEAMVKAV-OBJOEFQTSA-N 401.326 2.520 0 50 HFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 209311870 UGFQWXLMBJOLCZ-MJGOQNOKSA-N 400.479 2.663 0 50 HFAA CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 239235807 WTMGGVNHCZMOHF-DRMAHVMPSA-N 406.276 2.935 0 50 HFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1 252666628 CBXNPJYXVSBJPG-NMLBUPMWSA-N 411.546 2.544 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cc(F)ccc4F)c3CO2)cc1 263619103 WYHRGGLBQSZPGS-SFHVURJKSA-N 400.385 2.766 0 50 HFAA O=C(C1=Cc2ccccc2OC=C1)N1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 1529101631 IXDOBWQHNFJPEC-UHFFFAOYSA-N 404.470 2.951 0 50 HFAA O=C(O)CC[C@]12CN(Cc3ccc4c(c3)OCO4)C[C@@H]1CN(Cc1nccs1)C2 1772707408 SGHYSCQELRYPLK-IIBYNOLFSA-N 415.515 2.671 0 50 HFAA O=C(O)c1ccc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)C4CCCC4)C3)C2)cc1 1857684597 UMNNOPOUIDPNFY-NFBKMPQASA-N 400.519 2.750 0 50 HFAA Brc1cc2c(NCCN3CCN(Cc4ccccc4)CC3)ncnc2[nH]1 1875341198 KNHXXJVJVDJITP-UHFFFAOYSA-N 415.339 2.950 0 50 HFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc4nnc(-c5cccn5C)n4c3)C[C@H]2C1 2100547042 ANCUOOQMOMSCJT-QGFMHUBQSA-N 406.534 2.926 0 50 HFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cn2)c2c1[C@H](C)CC2=O 2325727561 BXQXNCBEVSBZCZ-LLVKDONJSA-N 408.863 2.617 0 50 HFAA CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C(N)=O)c1C 1200733 CURYICMHYWHYRJ-UHFFFAOYSA-N 419.503 2.907 0 50 HFAA O=C(O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1I 4343514 ACTDNBXJSIGMGN-UHFFFAOYSA-N 407.163 2.786 0 50 HFAA COc1ccc(OC)c(N2C(=O)C[C@@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c1 5015820 MEEMMDQFRGTIMD-SJORKVTESA-N 400.475 2.600 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1 11839002 FQXFPAJURUUDLR-NRFANRHFSA-N 405.583 2.565 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCc2cnn(C)c2)C1 11843198 QFINUAMRMGTZKO-QFIPXVFZSA-N 401.482 2.906 0 50 HFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC)cc3OC)C2)nn1 11969248 OWAZMJPWTRALSO-QGZVFWFLSA-N 401.511 2.614 0 50 HFAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 12049819 FKAPRDOYTORIQQ-UHFFFAOYSA-N 420.473 2.720 0 50 HFAA CCCN(C[C@H]1CCCO1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1 12456991 MXVSSQKJLGRWJB-HXUWFJFHSA-N 414.506 2.708 0 50 HFAA Cc1cc(C)n(CCNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12744479 QDYPCSAPBBLOQY-UHFFFAOYSA-N 410.518 2.710 0 50 HFAA O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCN(C2CCCC2)CC1 12756899 OPDYWEYYRQSOTH-UHFFFAOYSA-N 422.489 2.535 0 50 HFAA O=C([C@@H]1CCOC1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14742321 XWJVGERRBZSGBK-CTNGQTDRSA-N 400.519 2.612 0 50 HFAA CC(C)Oc1ccc2c(NC(=O)c3ccc(=O)n(C)n3)nn(CC(F)(F)F)c2c1 72474864 AHRDYOMYCIEIDW-UHFFFAOYSA-N 409.368 2.732 0 50 HFAA Cc1cc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)ccn1 82083936 JMWSURKHZLAFNV-QFIPXVFZSA-N 407.562 2.778 0 50 HFAA Cc1nc2cc(C(=O)N3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)ccc2s1 91621009 WLEPJDGNVSYMHG-MJGOQNOKSA-N 403.548 2.540 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 101672323 DNZYSRWZIQCYSU-SLEUVZQESA-N 401.326 2.520 0 50 HFAA COc1ccccc1CC(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(C)cc2)CC1 169770159 KWFUFFYVEJNKHB-UHFFFAOYSA-N 420.513 2.885 0 50 HFAA CCN1CC[C@H](CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 426490367 BCYBUJJJSDNDHQ-MRXNPFEDSA-N 402.564 2.983 0 50 HFAA COCCN1CC[C@@H](CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 670472543 NSHNKXDBBZQQOZ-NRFANRHFSA-N 407.558 2.943 0 50 HFAA Cc1cc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc2ccc(F)cc12 1529155607 WBGNQVVZRGBQJS-UHFFFAOYSA-N 406.527 2.925 0 50 HFAA COCCn1c(C(=O)N[C@H](C)C(=O)Nc2nc(C(C)=O)cs2)cc2ccccc21 2325853764 AMKAJSAXLAQCCQ-GFCCVEGCSA-N 414.487 2.704 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(N(C)CCO)cc3)CC1)OCC2 2356160563 YGRMZGQRHOZLMT-UHFFFAOYSA-N 410.514 2.828 0 50 HFAA S=C(NCCc1ccccc1)N1CCN(C(=S)NCCc2ccccc2)CC1 6331905 LRAOFJCJDZNWPY-UHFFFAOYSA-N 412.628 2.838 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C 11879282 XGTFKXMHGUSGQU-JOCHJYFZSA-N 423.557 2.704 0 50 HFAA COc1ccc(F)c(C[C@@]2(CCC(=O)NCc3nc(C)cs3)CCC(=O)N2)c1 12098554 KAWAKKBEZFVCRE-HXUWFJFHSA-N 405.495 2.887 0 50 HFAA CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 12162020 IFECHVVGWVEMHH-UYAOXDASSA-N 403.571 2.566 0 50 HFAA C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)Cc2cc(F)ccc2F)CC3)C[C@@H](C)O1 12281083 JFKDVJGFFIRZRE-DAYGRLMNSA-N 406.473 2.772 0 50 HFAA COC(=O)C[C@H](NC(=O)c1csc2nc(-c3ccccc3Cl)cn12)C(=O)OC 12447588 LZHIRBNQTMAWFJ-LBPRGKRZSA-N 421.862 2.551 0 50 HFAA CCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)CC1 15070371 LXXJNLHFURGYRJ-UHFFFAOYSA-N 406.490 2.886 0 50 HFAA O=S(=O)(NC[C@H]1CCCN(CCCn2cccn2)C1)c1cccc2cccnc12 15077393 FNPDGHBLVFNESD-GOSISDBHSA-N 413.547 2.512 0 50 HFAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 19799663 DVMGFRRHMNOVBO-UHFFFAOYSA-N 416.334 2.685 0 50 HFAA Cc1n[nH]c(O)c1[C@H](c1ccc(I)o1)c1c(O)n[nH]c1C 19973447 IFYUJJXGJQYQMW-UHFFFAOYSA-N 400.176 2.539 0 50 HFAA Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1 20117769 FVZUNFUJJRDKNF-QFIPXVFZSA-N 409.511 2.564 0 50 HFAA CCOC(=O)c1cnc(N2CCC[C@H]2CO)nc1NCc1ccc(OC)c(Cl)c1 52537274 NUTJUOHYJBWTSH-AWEZNQCLSA-N 420.897 2.889 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)CC1 55072686 MXNVNKOXPPDQFH-OAQYLSRUSA-N 408.546 2.836 0 50 HFAA CC(C)(CO)CNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82120406 VCRHAZIQRICIKR-QGZVFWFLSA-N 414.550 2.643 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccc(-n2nccn2)cc1 170619527 PJCJLBWSTCSOOH-MSOLQXFVSA-N 400.527 2.745 0 50 HFAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 241132880 JMQYCELZCRPHJR-YGBSJELFSA-N 406.548 2.529 0 50 HFAA Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nnn1-c1ccc(OC(F)F)cc1 252508216 XGXDZYCNBGWICX-UHFFFAOYSA-N 422.413 2.833 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCCN(c3ncccn3)CC2)s1 1506414183 PDCHHSCUPDZOSB-UHFFFAOYSA-N 419.532 2.711 0 50 HFAA Cc1c(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)sc2ccc(Cl)cc12 1857669222 GRBHRGYEELCCLW-YVEFUNNKSA-N 401.937 2.883 0 50 HFAA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cn1 1857670800 ZSPPMZCDKTXMIX-UHFFFAOYSA-N 402.303 2.908 0 50 HFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21 1857727507 UTWHIJIYDDDWQR-CYBMUJFWSA-N 402.501 2.552 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CCc3c(O)nc(C)nc32)CC1 1857738663 RVIWZLHJGLSGIF-UHFFFAOYSA-N 417.531 2.785 0 50 HFAA Cc1c(S(=O)(=O)N2CCCC[C@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 1875308709 SNGZTCJUPJXNHU-SFHVURJKSA-N 403.483 2.969 0 50 HFAA O=C(Nc1nc2cncnc2s1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1875342046 VGDJDTZQXIIACM-UHFFFAOYSA-N 410.427 2.801 0 50 HFAA COc1ccc(-c2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ncn2)cc1 1875355796 ABPXNKKQGXUWCS-UHFFFAOYSA-N 406.442 2.872 0 50 HFAA CCc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)n1 2325866192 CWULPPSLSSQZDY-LLVKDONJSA-N 408.501 2.588 0 50 HFAA COC(=O)c1ccc2c(c1)[C@@H](N=c1nc(O)c3cnn(-c4ccccc4)c3[nH]1)CCO2 2325874493 OPVWFYCNTPLKIM-KRWDZBQOSA-N 417.425 2.665 0 50 HFAA COC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 1111960 BWUASUWXNCOEKS-UHFFFAOYSA-N 410.426 2.743 0 50 HFAA COCCCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 2870499 QSGABJXTQIXWJY-UHFFFAOYSA-N 403.715 2.566 0 50 HFAA O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1 4196610 DRISEDISKPZJOH-UHFFFAOYSA-N 400.822 2.843 0 50 HFAA CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 11936328 ASHUITJHAOQFGM-AWEZNQCLSA-N 403.479 2.878 0 50 HFAA COC(=O)CCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 12072494 QIYXCNFDOFKXDZ-UHFFFAOYSA-N 416.503 2.644 0 50 HFAA CN(Cc1cccs1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 12206500 WAVOXIXPHWDRJB-QGZVFWFLSA-N 409.577 2.939 0 50 HFAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)c1 12307710 IXYCTTQMRAJJSF-OAQYLSRUSA-N 409.486 2.560 0 50 HFAA O[C@@H](COc1ccccc1CNCCc1ccc(F)cc1)CN1CCSCC1 12754798 YYRPKDAEJBLUDC-OAQYLSRUSA-N 404.551 2.947 0 50 HFAA Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)c1 14747850 UUXVERLSFFVMDJ-IHPCNDPISA-N 415.896 2.588 0 50 HFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 19223870 HBHGNRYINAEWPJ-ZDUSSCGKSA-N 401.417 2.699 0 50 HFAA COc1cc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)cc(OC)c1 39398974 AGGBGYLNJLAMJT-LJQANCHMSA-N 402.539 2.619 0 50 HFAA O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1cn3ccsc3n1)C2 65462424 IEMSJPYVKUGAJI-UHFFFAOYSA-N 406.471 2.891 0 50 HFAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)s1 77320648 PKSKTYJRTQUTAA-UHFFFAOYSA-N 414.512 2.846 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)cc1 77376530 OGMVACLZIAPSLE-MXBUBSDBSA-N 407.470 2.743 0 50 HFAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)CC4CCCC4)[nH]c3=O)nc2s1 77503824 DHDNWEJZGAMFLC-UHFFFAOYSA-N 413.547 2.945 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)C1 170620959 KPQWXFLREZJHII-GOSISDBHSA-N 411.502 2.959 0 50 HFAA CCCC[C@@H]1CN(CC(=O)NC[C@H]2CCN(CCOC)C2)Cc2ccccc2O1 244758091 OSFLDXAZVINGPV-TZIWHRDSSA-N 403.567 2.524 0 50 HFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCC3)c2c1 245255248 GIYLVYAWFBHSBT-SPYBWZPUSA-N 411.458 2.995 0 50 HFAA O=S(=O)(NCc1ccccn1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1 263639867 MOOVGLUSKJKOFS-UHFFFAOYSA-N 417.800 2.813 0 50 HFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)c2)n1 477130747 YGQPWRMNUVLJPR-MOZCNIMESA-N 418.497 2.659 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)CCCc1cnn[nH]1)CC2 952887860 CRGGDRUPCSWDMQ-GOSISDBHSA-N 401.536 2.619 0 50 HFAA O[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@@H]1N1CCN(c2ccccn2)CC1 1614347583 LSUJYPFUPFBCCD-ZEQRLZLVSA-N 402.542 2.992 0 50 HFAA COc1ccc(CCCC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cncc(O)c3)C2)cc1 1857690133 BJPIULPRDBAGJV-RTBURBONSA-N 411.502 2.976 0 50 HFAA O=C(c1ccc(Cl)cc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857714984 VVRRAVOKRFQPNK-PMACEKPBSA-N 401.894 2.650 0 50 HFAA O=C(CN1CCc2ccccc2C1)N[C@@H]1CCCC12CCN(Cc1ncc[nH]1)CC2 1875244156 AZUNDRIAVMLSCJ-OAQYLSRUSA-N 407.562 2.719 0 50 HFAA CCc1nnc(-c2ccc(NC(=O)C(=O)N3CCC(n4cc(C)cn4)CC3)cc2)o1 2325722655 SUMRYRRZTXHJPP-UHFFFAOYSA-N 408.462 2.606 0 50 HFAA OC1(CN2CCCCC2)CCN(c2ncnc3c2cnn3-c2ccccc2F)CC1 2325825560 VCALCVJHZULBMJ-UHFFFAOYSA-N 410.497 2.772 0 50 HFAA Cc1cc(C(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccco3)C[C@H]2C)c(F)cc1N 2325872933 SEKFKPZWJMUIFJ-CYBMUJFWSA-N 411.437 2.686 0 50 HFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C1 2356143561 MSCZJYWHBSDSDI-NRFANRHFSA-N 408.893 2.848 0 50 HFAA OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccccc2Cn2cccn2)CC[C@@H]1O 2356148835 VQEIISFTAFMJEJ-ZEQRLZLVSA-N 409.505 2.859 0 50 HFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)c1OC(C)C 1075290 LWMZIZYHRKJGML-KBXCAEBGSA-N 404.463 2.833 0 50 HFAA O=C(O)c1cc(NC(=O)c2ccc(I)cc2)cc(C(=O)O)c1 10060509 ZCADBRJVCLSDFC-UHFFFAOYSA-N 411.151 2.940 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)c3ccoc3)CC2)C1 11947235 QHZLIZFOTTXXMP-HXUWFJFHSA-N 409.530 2.955 0 50 HFAA COc1cccc(CN2C[C@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1 12320076 JLZTXRXHDYRHGV-LJQANCHMSA-N 423.513 2.899 0 50 HFAA CCOC(=O)c1nn(CCO)c2c1CN(Cc1nc(-c3ccccc3)cs1)CC2 14742788 BTIIXHSHBQDEAP-UHFFFAOYSA-N 412.515 2.734 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 19866463 RPUPYMIJJYECEX-UHFFFAOYSA-N 402.516 2.847 0 50 HFAA Cc1ccccc1OCC(=O)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 20418984 PEGNICIXOJOCGO-UHFFFAOYSA-N 414.849 2.623 0 50 HFAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)C2=C(C)OCCO2)CC1 20878054 WZEBRXYERHNKFM-UHFFFAOYSA-N 403.475 2.906 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 32796404 RSISPSRVXLLXPG-UHFFFAOYSA-N 411.437 2.716 0 50 HFAA Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@@H](C)C2=O)c1 55168717 SZYBPBCJPPBLNY-KRWDZBQOSA-N 415.493 2.739 0 50 HFAA CCn1c(CCNC(=O)CCCn2cnc3ccccc3c2=O)nc2ccccc21 55344639 LWVKOSXTGOHPOR-UHFFFAOYSA-N 403.486 2.905 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239038532 DJNCQJOYNJLCIF-UCVXFEHQSA-N 422.481 2.632 0 50 HFAA COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C(=O)O)cc2cccnc12 328596012 NIULFRGDAAIITM-UHFFFAOYSA-N 404.400 2.730 0 50 HFAA O=C1C[C@@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CN1C1CCCC1 670453416 LMONYDXHRFWSQK-LBPRGKRZSA-N 406.426 2.655 0 50 HFAA COCCc1noc(CN(C)C(=O)c2ccccc2N(C)C(=O)c2cccs2)n1 758848879 QFSSYAXUAWWXOF-UHFFFAOYSA-N 414.487 2.869 0 50 HFAA C[C@]1(c2cccc(-c3noc([C@H]4CC(c5cccc(F)c5)=NO4)n3)c2)NC(=O)NC1=O 761926161 BMQMFUZSAAKHEK-IIBYNOLFSA-N 421.388 2.796 0 50 HFAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804412466 ROFNAFYYFVSMMU-OAQYLSRUSA-N 416.481 2.636 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cc1Cl 1506397949 ZPQQUGGPNDWVFM-YGRLFVJLSA-N 421.302 2.834 0 50 HFAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506401997 HVISOOKUFWGVCX-UHFFFAOYSA-N 405.437 2.757 0 50 HFAA O=C1NC(=O)[C@@]2(CCCCC[C@H]2NC(=O)c2ccc(OC3CCC3)cc2Cl)N1 1875328798 NDEWYTDPJPWMKT-UZLBHIALSA-N 405.882 2.912 0 50 HFAA Cc1nsc2ncc(C(=O)NC[C@H](c3cccs3)N3CCN(C)CC3)cc12 2325728444 ROBQSJJPIFWFHO-MRXNPFEDSA-N 401.561 2.780 0 50 HFAA CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 2882028 XRWKXNSDTADPTQ-UHFFFAOYSA-N 403.342 2.909 0 50 HFAA COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H](C)CS2(=O)=O)c1 12003922 BZMBUGZFCWXVGM-LLVKDONJSA-N 408.863 2.913 0 50 HFAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)C[C@@H]1NC(=O)c3ccccc31)CC2 14741135 OJKJGXUVHVXWDL-NRFANRHFSA-N 413.477 2.812 0 50 HFAA O=C(N[C@@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19333969 NDLHVEJJQWWOTD-CMPLNLGQSA-N 420.145 2.543 0 50 HFAA CCC(CC)n1c(=O)n(Cc2ccc(C(=O)N(C)C)o2)c2cc(C(=O)O)cnc21 55090086 KEMIWJATILYUFZ-UHFFFAOYSA-N 400.435 2.600 0 50 HFAA COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O 65363768 RBWVIUHIPHVMOO-MRXNPFEDSA-N 406.442 2.528 0 50 HFAA CCSCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82120854 VCGLMUGFUOONPN-SFHVURJKSA-N 418.607 2.544 0 50 HFAA C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239135345 LCMRPRQXCZZNOH-WHRSFKOUSA-N 415.287 2.829 0 50 HFAA Cc1nonc1CN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426597221 LNPAEYMPKYHESC-UHFFFAOYSA-N 401.492 2.875 0 50 HFAA CCN1CCN(C2CCN(C(=O)CC(=O)Nc3cccc(Cl)c3C)CC2)CC1 952865806 XRRNEAVDULZPMQ-UHFFFAOYSA-N 406.958 2.606 0 50 HFAA CN(CCCn1cccn1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506402113 MNZNPYGVHHANSX-UHFFFAOYSA-N 403.386 2.596 0 50 HFAA CN1C[C@@H]2C[C@H](N(C)Cc3ccc(OCC(=O)NC(C)(C)C)cc3)C[C@@H]2CC1=O 1704342169 JTKQBHMCJATJDD-CEXWTWQISA-N 401.551 2.669 0 50 HFAA Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)N1CCCC[C@@H]1c1cnn(C)c1 1875308401 DKHCWSICCUHLNB-CQSZACIVSA-N 405.446 2.712 0 50 HFAA Cc1ccn2c(=O)c(C(=O)N[C@@H]3C[C@H](CNC(=O)OC(C)(C)C)C3(C)C)cnc2c1 1875351878 MJJUIPLLQNXJRT-GDBMZVCRSA-N 414.506 2.672 0 50 HFAA NC(=O)c1ccc(NC(=O)CNC(=O)CSc2ccc3c4c(cccc24)CC3)cc1 2325850896 KQGSAVJYSXCAQA-UHFFFAOYSA-N 419.506 2.884 0 50 HFAA CS(=O)(=O)N(C[C@H]1COc2ccccc2C1)c1cccc(N2CCCC2=O)c1 2356144964 UNVWCNGMQPFFOS-INIZCTEOSA-N 400.500 2.831 0 50 HFAA CCNc1nc(Oc2ccc(OCCOc3ccccc3C)nn2)nc(N(C)C)n1 2367545 LIXSHVFBJACTOL-UHFFFAOYSA-N 411.466 2.718 0 50 HFAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nn1c(S)nc2ccccc2c1=O 2792450 AONFGSLUGOEQBL-SECBINFHSA-N 411.409 2.615 0 50 HFAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(=O)n(C)c(=O)n1C 2818603 BJCBAOGQLIQUCO-UHFFFAOYSA-N 409.229 2.607 0 50 HFAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 4902233 JAXJQHHPYDCQQL-HDICACEKSA-N 422.572 2.776 0 50 HFAA CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)c1ccccc1 5102553 ISDBWMCVJFNVRY-UHFFFAOYSA-N 404.550 2.642 0 50 HFAA Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)O)ccc2N2CCOCC2)cc1 5931974 LJUOTQORPIQYJS-HJWRWDBZSA-N 409.442 2.663 0 50 HFAA CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 9010448 FVKLRUKYBYKNQN-KRWDZBQOSA-N 422.437 2.803 0 50 HFAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 10302805 WRUGIPKXDLAJOV-UHFFFAOYSA-N 406.479 2.551 0 50 HFAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CN2CCOC2=O)CC1 11768102 SGSWKELRJUOLBR-UHFFFAOYSA-N 408.882 2.507 0 50 HFAA CCc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)nc1 11937950 AGHUWWUSSCJWJD-QHCPKHFHSA-N 416.525 2.804 0 50 HFAA COc1cccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 12389145 BLXUNEQGRCFUSH-IBGZPJMESA-N 407.514 2.829 0 50 HFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13683441 LMKKIIAJCCZBEA-UHFFFAOYSA-N 407.514 2.969 0 50 HFAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CCCN(C)C)c1=O 14955084 NOPCDCKJTDACFY-UHFFFAOYSA-N 418.582 2.763 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)c(F)c1 19792673 FVAIWVYTTNVKAJ-NRFANRHFSA-N 415.509 2.862 0 50 HFAA CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4ccc(F)cc4)C3)nn12 32101896 GCWZSNXLPIRCJA-QGZVFWFLSA-N 410.497 2.962 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 65363042 OZZANWKYAOUBCQ-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA Cc1nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc(-n2cnc(C)c2C)n1 72437322 USQVYVZRYFEINL-UHFFFAOYSA-N 408.481 2.618 0 50 HFAA CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O 77300411 IKJKFIODOFLLDA-UHFFFAOYSA-N 410.518 2.616 0 50 HFAA Cc1ccc2nc(CN3CC[C@H](N4CCOCC4)[C@H](CCC(=O)O)C3)[nH]c2c1C 95388638 GORKUPUSZZNLME-MJGOQNOKSA-N 400.523 2.567 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2 252346765 AMOMZLKBRNIPHR-UYOCQKMUSA-N 422.412 2.522 0 50 HFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 252549989 RYRJPUZQENFXRW-OAHLLOKOSA-N 407.455 2.859 0 50 HFAA COc1ccc(-c2cc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)no2)cc1 334161746 FDPDTTGXBNDAAS-OAHLLOKOSA-N 409.406 2.645 0 50 HFAA O=C(NCc1nncn1-c1ccccc1)[C@H]1CCCN1c1ncnc2sccc12 482964359 PMGVGYCPFWCNJU-MRXNPFEDSA-N 405.487 2.557 0 50 HFAA C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(C(F)(F)F)cn1 886024566 DXJSHHHUJRWCLN-AWEZNQCLSA-N 421.423 2.959 0 50 HFAA O=C(Cn1cccn1)N1C[C@@H]2CN(c3nccs3)C[C@@]2(CCc2ccccc2)C1 1772815300 GGMYJIWVAGRBCL-DENIHFKCSA-N 407.543 2.937 0 50 HFAA CCc1ccc(CN2C[C@@H]3CN(S(=O)(=O)CC4CCCC4)C[C@]3(CO)C2)s1 1772816515 OSMPHDYPLFQVFQ-XLIONFOSSA-N 412.621 2.557 0 50 HFAA CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)cc1 1780708960 ZLFTYWMBTWWXFM-QHCPKHFHSA-N 411.477 2.649 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(Cc3ccc(OC)c(Cn4cncn4)c3)C[C@H]21 1857729744 GBMKVOMLLCTHNI-FDGCKHTNSA-N 410.518 2.768 0 50 HFAA COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 1051127 BDJVIMJNLDMHIG-MRXNPFEDSA-N 406.479 2.551 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCc1ccccc1 4419062 PBAZTJZQJMCVEE-UHFFFAOYSA-N 402.516 2.645 0 50 HFAA Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 6710469 MOSXOAPJXFLBQM-QGZVFWFLSA-N 419.522 2.637 0 50 HFAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 12440373 HRQMZIAZRRDISV-UHFFFAOYSA-N 404.474 2.722 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCCOC(C)C)C2 14542845 LTHYRGOMOXQRHJ-QGZVFWFLSA-N 408.612 2.744 0 50 HFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](NC2Cc4ccccc4C2)CC3)o1 14743719 LTARHCNCZWZUAC-SFHVURJKSA-N 404.514 2.866 0 50 HFAA O=C(CN1CCOC1=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 15078981 YHHVDSRCIWDYLZ-HXUWFJFHSA-N 414.550 2.907 0 50 HFAA O=C(CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 18250415 QNSDMEHBHFEFDW-OAHLLOKOSA-N 402.403 2.528 0 50 HFAA Cc1cc(Cc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)c(=O)[nH]n1 33026762 OWMDQOSNPSNCRQ-UHFFFAOYSA-N 403.891 2.801 0 50 HFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)CC1 65363934 YXQXEVWLTKJULS-UHFFFAOYSA-N 413.499 2.706 0 50 HFAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3nnc(C)o3)CC2)c1 95505368 OZIGFBCEOSYMPB-UHFFFAOYSA-N 400.479 2.666 0 50 HFAA NC(=O)c1cccnc1N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95506201 YVZSCZQQHTUAQS-CQSZACIVSA-N 402.445 2.772 0 50 HFAA NC(=O)NCCC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)O 206410930 PGWHNYBYPYMEQU-SFHVURJKSA-N 406.442 2.533 0 50 HFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2ccc(OC)c(OC)c2)CNC3=O)c1 263618417 SXKYZMVYGYOFAR-NRFANRHFSA-N 408.458 2.608 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1ccc(=O)n(-c2ccccc2)n1 485487527 GNNCTETTXFWEDJ-HNNXBMFYSA-N 403.364 2.891 0 50 HFAA O=C(CCc1cncc2ccccc12)NCc1ccc(C(=O)N2CCOCC2)cc1 764998115 PSYBKCNMGBOBSD-UHFFFAOYSA-N 403.482 2.956 0 50 HFAA COC(=O)C1=C(COC(=O)/C=C/c2ccc(O)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 914621367 FOLFPMALRXQIEL-QYFOZDBKSA-N 422.437 2.772 0 50 HFAA FC(F)(F)[C@@]1(c2nc(-c3ccccc3)no2)CCN(Cc2nnc3n2CCOC3)C1 952893393 LNLUIYVWVLSINA-SFHVURJKSA-N 420.395 2.564 0 50 HFAA COC[C@@H]1CCCN(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)C1 1506396246 DUPHZJCNIHKOHR-HXUWFJFHSA-N 403.548 2.730 0 50 HFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 1506429430 SMJNJVKUIRKIGW-HNNXBMFYSA-N 406.479 2.713 0 50 HFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 881671 CMELCNUAEAAPPR-UHFFFAOYSA-N 404.444 2.626 0 50 HFAA CCn1c[n+](CCOCCOCC[n+]2cn(CC)c3ccccc32)c2ccccc21 3121913 YSOXAHZNTNDSEZ-UHFFFAOYSA-N 408.546 2.944 0 50 HFAA COc1ccc(CC2=NO[C@@H](C(=O)N3CCC([C@H](O)c4ccccn4)CC3)C2)cc1 11911478 KETIVIQHSBBSOO-YADHBBJMSA-N 409.486 2.750 0 50 HFAA CC(C)CCn1cc(C(=O)NCc2ccncc2)c(=O)c(C(=O)NC2CCCC2)c1 12191731 YAIHUXZIEAMANR-UHFFFAOYSA-N 410.518 2.892 0 50 HFAA Cc1nc2sccn2c1C(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12434099 XGVXJBGQKQBRCS-CYBMUJFWSA-N 424.573 2.596 0 50 HFAA Cc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12750404 FALYTGGEQCNAPT-UHFFFAOYSA-N 410.518 2.781 0 50 HFAA COc1ccc(CNC(=O)[C@H]2CNC[C@@H](COc3cccc(F)c3)C2)cc1OC 14732675 WEKCKJQQRVGBSB-DLBZAZTESA-N 402.466 2.764 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 21795277 QRAYYLDDPVIJSL-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 22919546 MFGHAQDLWNTXHX-INIZCTEOSA-N 411.930 2.793 0 50 HFAA COc1cc(NC(=O)Cn2nc(-c3ccc(OC)cc3F)ccc2=O)cc(OC)c1 49550826 FBJPITHLHJFROE-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N3CC(O)C3)nc2c1=O 72454131 VMYZANRXAZHRRH-UHFFFAOYSA-N 412.877 2.599 0 50 HFAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)c1 77470659 UIBXAYPFVVQVSN-UEOMBKFZSA-N 416.477 2.520 0 50 HFAA NC[C@@H]1CCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)C1 82127215 RZPNDYYOBZNRAO-QFIPXVFZSA-N 412.622 2.603 0 50 HFAA CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc(F)cc2Br)cn1 225417609 CELJQDFUAKDOIB-OWJWWREXSA-N 414.300 2.750 0 50 HFAA CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)NC[C@@H]3COc4ccccc4O3)N=C2O)cc1 252494664 OBKVBWKCYSCBTN-QZTJIDSGSA-N 423.469 2.786 0 50 HFAA COC(=O)N1CCC[C@H](C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1 252517653 OBMSOHARYWIODS-HVTWWXFQSA-N 414.502 2.739 0 50 HFAA CCOc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)c1 263619689 ZZRAWTVUYYBLQK-HXUWFJFHSA-N 408.458 2.887 0 50 HFAA CNC(=O)c1nn(Cc2cc(OC)ccc2Br)c(=O)c2ccccc12 328591315 WPBOBYHUIPRNLZ-UHFFFAOYSA-N 402.248 2.576 0 50 HFAA CCCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1nc(-c2cnccn2)n[nH]1 426547515 CBTAJZDJMWZEGJ-MRXNPFEDSA-N 404.478 2.831 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)NCC3(N(C)C)Cc4ccccc4C3)CC2=O)cc1F 741601310 QBLVFUIFUHEUDI-LJQANCHMSA-N 409.505 2.702 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H](Cc2cnc[nH]2)n2cccc2)CC1 952984082 NOHLFNUSUZGUSS-JOCHJYFZSA-N 419.529 2.593 0 50 HFAA O=C(CC1=CCCC1)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccc(Cl)c2)C1 1857694799 XTTNZIBHDWIXSI-XMSQKQJNSA-N 402.922 2.974 0 50 HFAA Cc1cc(CN2CCC[C@]3(CCc4c3nc(C(C)(C)C)[nH]c4=NCCCO)C2)n[nH]1 1875243881 CACYSRFOHMJOPB-QHCPKHFHSA-N 412.582 2.502 0 50 HFAA C[C@@H](NC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)[C@@H](C)n1cncn1 1875257475 OECKKPIPVFDOGS-ZIAGYGMSSA-N 411.487 2.975 0 50 HFAA NC(=O)c1cc(C(=O)N[C@H]2CCCCN(Cc3ccccc3)C2)nn1-c1ccccc1 1875351933 NUXIDFITDVPIQV-IBGZPJMESA-N 417.513 2.756 0 50 HFAA CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN(CC)CC)CC2)c2ccccc2O1 6846457 CKTQJBOCDOMMLO-LJQANCHMSA-N 416.566 2.954 0 50 HFAA aggregator CC(C)OCCCNC1CCN(c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)CC1 11786273 NJSJYZVCXAXCRS-JOCHJYFZSA-N 403.567 2.657 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 12197816 KTFUVVUOYKNKAS-OAQYLSRUSA-N 403.542 2.988 0 50 HFAA O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12701584 SSBYJEUZFGLOEZ-GOSISDBHSA-N 408.477 2.707 0 50 HFAA COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1C(=O)N1CCCC1 13632372 DHVGHUTZOCERHK-UHFFFAOYSA-N 418.515 2.597 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2 14750001 HDKHKYXASQKAGU-QGZVFWFLSA-N 400.523 2.594 0 50 HFAA CC(C)CCn1cc(C(=O)NCC(C)C)c(=O)c(C(=O)NCC(C)(C)CN(C)C)c1 14961086 ZCIQWXAWMVEUFP-UHFFFAOYSA-N 420.598 2.598 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 16552624 NXZNHLLTFBAKRZ-OAQYLSRUSA-N 415.559 2.647 0 50 HFAA Cc1oc(-c2cccs2)nc1CNC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 20452155 VQDRKKLCMVUZGF-UHFFFAOYSA-N 422.470 2.872 0 50 HFAA NC1CCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 67788503 FECFLGLBRXVBBC-SFHVURJKSA-N 405.546 2.798 0 50 HFAA O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2C1 77485646 OVKBREJJQISVJQ-UHFFFAOYSA-N 414.527 2.729 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 82230568 SOFIQDOMKVHSST-UHFFFAOYSA-N 415.925 2.766 0 50 HFAA COc1ccc(CCNC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)cc1OC 169765720 ULOODTVZZINDSE-NRFANRHFSA-N 409.486 2.688 0 50 HFAA Cc1cccc(OCCNC(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 225408145 MSTWLOHBKNQEAV-IBGZPJMESA-N 405.539 2.725 0 50 HFAA CN1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 230168352 KURDBSUABPTSCX-MOPGFXCFSA-N 400.910 2.955 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)CSc3ccccn3)CC2)nn1 244817227 SWSRTUIEEXPRKA-IYBDPMFKSA-N 416.551 2.547 0 50 HFAA CCN(CC)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C1 464963052 VQWDAOYYDWFRDE-MOPGFXCFSA-N 418.607 2.881 0 50 HFAA NS(=O)(=O)c1cncc(-c2noc(CN(Cc3ccccc3)c3ccccc3)n2)c1 820952348 ASUNEHRTZYQWRX-UHFFFAOYSA-N 421.482 2.986 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-c2cnco2)cc1 1116135893 OBUZHHYKGCMYGI-MRXNPFEDSA-N 400.460 2.767 0 50 HFAA O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1ccsc12 2356145756 UZMJJRSBHIXXQN-CQSZACIVSA-N 403.529 2.648 0 50 HFAA CC12CN(C(=O)Cc3ccccc3)CC(C)(CN(C(=O)Cc3ccccc3)C1)C2=O 1317904 LDRFMZTXTWFFLD-UHFFFAOYSA-N 404.510 2.738 0 50 HFAA biogenic CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1ccc(F)cc1 4689951 HAGMYIYXKZBRNN-MRXNPFEDSA-N 404.419 2.706 0 50 HFAA CC(=O)N1CCc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21 4751251 MURVEEXVRVBIDF-UHFFFAOYSA-N 418.559 2.859 0 50 HFAA CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc2ccccc2c1 4820881 CDNBDOVTFFMTEF-UHFFFAOYSA-N 411.483 2.588 0 50 HFAA CCN(CC)CCNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 11821434 YPBYZDLKIZFBPH-UHFFFAOYSA-N 415.626 2.524 0 50 HFAA CN(Cc1ccc(OC[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1)Cc1ccon1 11868157 BPKVJHNPYXLIPF-HXUWFJFHSA-N 423.517 2.821 0 50 HFAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1cc(C)nn1C 12190692 YVCDQAPGZULXEX-UHFFFAOYSA-N 411.506 2.640 0 50 HFAA CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12301541 JVYIAWXIRYJPLG-JOCHJYFZSA-N 418.497 2.691 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(CCCn3cccn3)CC2)c(Cl)c1 12713477 RLLXQDVXPLZTEV-UHFFFAOYSA-N 420.941 2.846 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 12744881 ZOSRYYCIMUAGMA-CYBMUJFWSA-N 401.440 2.983 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(OC)c1)C2 14538741 PWBDBGJWUFSIBE-KRWDZBQOSA-N 414.575 2.748 0 50 HFAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccccc1)CC2 14753729 SRLIDJDHKRNBPW-UHFFFAOYSA-N 400.567 2.893 0 50 HFAA O=C(CN1C(=O)CSC1=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 14976922 GXABPMISWRRENZ-JOCHJYFZSA-N 415.559 2.629 0 50 HFAA CCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 16648348 PGJQRZSPXCMXQQ-UHFFFAOYSA-N 423.579 2.988 0 50 HFAA CCn1ncc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1C 20045086 DXKYAKTVFVLLFA-UHFFFAOYSA-N 416.469 2.737 0 50 HFAA COc1ccc(CC(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1OC 20730409 FVBZURHRVIGDDF-UHFFFAOYSA-N 421.497 2.723 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1OC 72158032 KKQFPSJKLPDLOP-QHCPKHFHSA-N 409.486 2.754 0 50 HFAA O=C(Cn1ccnc1)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12 72423156 YJCKMQBORRIRHQ-UHFFFAOYSA-N 416.485 2.756 0 50 HFAA C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C 241124393 JHXXUKZCBOOOLP-TVFCKZIOSA-N 417.554 2.986 0 50 HFAA Cc1sc2nc([C@H](C)OC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)nc(O)c2c1C 242339385 ZHJRSDMMZJYVSG-CYZMBNFOSA-N 417.487 2.793 0 50 HFAA Cc1ccc(-c2cc(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)cc1C 474197243 NEWVDMCJZAMPNP-UHFFFAOYSA-N 412.515 2.874 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-c1nccn1C 1506395724 LPMXHYSJRYILAI-OAHLLOKOSA-N 413.503 2.512 0 50 HFAA CCn1nc(CCC(C)C)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2356144169 LMNJXMOFNZQLTJ-UXHICEINSA-N 402.495 2.833 0 50 HFAA COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N23)cc(OC)c1O 771853 PDGMWMPMYJLDFI-BEFAXECRSA-N 423.494 2.964 0 50 HFAA Cc1cc(C)cc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)c1 875751 ACTOGJPTMWBHCV-LJQANCHMSA-N 402.516 2.794 0 50 HFAA Cc1c(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 934338 FHALMQCJZITVFD-UHFFFAOYSA-N 408.845 2.920 0 50 HFAA NC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2 2861882 DNBLOUUBIYNRNM-UHFFFAOYSA-N 417.512 2.971 0 50 HFAA CC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 2988997 MGZSDUWSWIZVLP-QGZVFWFLSA-N 404.260 2.922 0 50 HFAA CN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 5051450 WINKTVTUFCAFFJ-UHFFFAOYSA-N 407.923 2.553 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)CN2C(=O)CSC2=O)C1 11998751 JDYREFLKYSBHRN-LBPRGKRZSA-N 414.405 2.822 0 50 HFAA CCc1c(C(=O)NCCc2ccc(O)cc2)c(=O)cc(C)n1CCN1CCCCC1 14878675 DTJUWPJUQJWJHI-UHFFFAOYSA-N 411.546 2.883 0 50 HFAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)/C=C/c1ccccc1)C2 14996428 FKCLYNPYDGWEJH-BQYQJAHWSA-N 415.497 2.501 0 50 HFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCN(Cc2cccnc2)CC1 19112416 UPFSNCJGOLPPIJ-UHFFFAOYSA-N 414.412 2.885 0 50 HFAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 20109715 MNZIFGMWSXTGLL-QGZVFWFLSA-N 404.894 2.939 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(F)c(Cl)c1 100637741 MLZSMMFMAQJXBA-QGZVFWFLSA-N 403.841 2.639 0 50 HFAA COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)ncc(C(=O)OC)c1O 252499072 RVCQLZOFWYPZMC-NSHDSACASA-N 415.320 2.873 0 50 HFAA CC1(C)C(O)=Nc2ccc(S(=O)(=O)N3CCC[C@H](c4n[nH]cc4C(=N)O)C3)cc21 328605041 MBHQQBRRKYKSIR-NSHDSACASA-N 417.491 2.741 0 50 HFAA CN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 782817006 YQXOXZLJKWJNFK-QGZVFWFLSA-N 416.499 2.712 0 50 HFAA CS(=O)(=O)CCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857705128 UDIHFAHMTIUFLR-FQEVSTJZSA-N 422.591 2.520 0 50 HFAA O=C(CC[C@H](C(=O)OCc1ccccc1)N1C(=O)CCC1=O)OCc1ccccc1 1857799003 IZLXFNWEJLNTHM-LJQANCHMSA-N 409.438 2.771 0 50 HFAA C=CC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)C1 1875387849 ATBKSWFMKPRNJC-LXZKKBNFSA-N 421.423 2.890 0 50 HFAA COc1cc(CO)cc(I)c1OCC(=O)Nc1ccccc1 1126964 JZMCATASEBOKKL-UHFFFAOYSA-N 413.211 2.810 0 50 HFAA COc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 1150214 DJQWKEQCYLNWMN-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CCOC(=O)c1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc(=O)[nH]c1C 8601828 RKYGPHONLMOTJH-UHFFFAOYSA-N 418.500 2.904 0 50 HFAA COCc1ccc(C(=O)N2CCOc3ccc(CN4CCC[C@@H](CO)C4)cc3C2)o1 11995498 YNAAXPZJRZJBPP-GOSISDBHSA-N 414.502 2.665 0 50 HFAA COc1ccc(CC2=NO[C@H](C(=O)N(Cc3ccccc3)C[C@@H]3CCC(=O)N3)C2)cc1 12005004 OGGPEAPSVKKSDX-UGKGYDQZSA-N 421.497 2.690 0 50 HFAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CSc2ncccn2)CC1 12058743 YBGZQGAJLKSIDA-INIZCTEOSA-N 407.536 2.700 0 50 HFAA CSCC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 12075803 KPVGNOXBEYNKAW-HXUWFJFHSA-N 403.592 2.759 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 12481622 ZBTREOCOOYLKEB-UHFFFAOYSA-N 407.486 2.597 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1Cl)C2 14531517 WETXAJJLQQRBKR-HNNXBMFYSA-N 404.967 2.910 0 50 HFAA OCCOc1ccccc1CN1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 19607695 ADVVUGZFQNECJE-OAQYLSRUSA-N 413.537 2.983 0 50 HFAA CN(CCCCN1CCOCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1 20914982 WGZQPZMTYGHXMF-UHFFFAOYSA-N 409.433 2.716 0 50 HFAA O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 55036362 UJRKMYCBDXXMQI-JOCHJYFZSA-N 420.488 2.582 0 50 HFAA Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ncn1 67602050 YTLRYESHUJKFIY-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA O=C(NC1(CO)CCCC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82121276 NEJJLSHWTZFPTA-QFIPXVFZSA-N 413.606 2.827 0 50 HFAA COc1cc(I)c(Cl)cc1CNC(=O)c1cccc[n+]1[O-] 225467957 AGGBPZPSESVWJL-UHFFFAOYSA-N 418.618 2.517 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239235559 WFMOHGIYKDRBIU-RTOMLYRKSA-N 400.478 2.721 0 50 HFAA CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 247995006 CPEUUJRXMVVMRW-GMAHTHKFSA-N 424.932 2.788 0 50 HFAA O=C1CCCc2cc(C(=O)NC[C@H]3CC(c4ccc5c(c4)CCO5)=NO3)ccc2N1 801342703 NNTXYNHVKYUXRA-GOSISDBHSA-N 405.454 2.819 0 50 HFAA COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c(C)cc1F 813691201 VESWGCUELQENPN-OAHLLOKOSA-N 411.426 2.902 0 50 HFAA COc1ccc(-c2cc(C(=O)NCCN3N=C(c4ccccc4)CCC3=O)n[nH]2)cc1 952979970 VOKFKIUYQXEFHJ-UHFFFAOYSA-N 417.469 2.842 0 50 HFAA Cc1cc(C(=O)Cn2cc(C[C@@H](O)c3ccccn3)nn2)c(C)n1-c1nccs1 1263421906 IYAZAOSHTLHKTM-GOSISDBHSA-N 408.487 2.696 0 50 HFAA Cc1ncc(CN(CCN(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)[nH]1 1704326059 VHHJXTKZTXDVEQ-LJQANCHMSA-N 411.550 2.785 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)CCCn2cccn2)ccc1F 1704328693 MWZRZAHWCDWZHL-UHFFFAOYSA-N 401.442 2.914 0 50 HFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1772711400 UETTWWCAVGRKFR-XXBNENTESA-N 404.470 2.857 0 50 HFAA O=C1C[C@H]2CN(C(=O)C3(c4ccccc4)CCN(Cc4ccccc4)CC3)C[C@H]2N1 1857680308 GKNDDABTQLMCCY-RBBKRZOGSA-N 403.526 2.567 0 50 HFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2ccccc2-n2cccn2)CCCCN1 2100533144 BTBJFJIQABYGDF-HXUWFJFHSA-N 423.561 2.859 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 1610961 ITRJWOMZKQRYTA-PBRLZQTFSA-N 402.487 2.561 0 50 HFAA biogenic CSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 4809711 GWUFXTUZPXYCEI-ZDUSSCGKSA-N 411.936 2.681 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)CSc3ccccn3)C2)cc1 11821929 LCVDTOIODDFERN-SFHVURJKSA-N 413.543 2.780 0 50 HFAA CC(C)CC[C@]1(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)NC(=O)NC1=O 11882313 OKLDTKJEUZXIHW-OAQYLSRUSA-N 407.461 2.760 0 50 HFAA CSCCNC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 11965537 YFLJTVKAQBDABA-UHFFFAOYSA-N 407.565 2.517 0 50 HFAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCCc1ccc(O)cc1 12155901 XUECSCOOCOKDKM-UHFFFAOYSA-N 410.499 2.678 0 50 HFAA COc1cc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)ccc1F 12704048 FGTGYBSSQMAZJE-MRXNPFEDSA-N 402.470 2.843 0 50 HFAA CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 13711140 ZTOLOFUJLDBKRC-HXUWFJFHSA-N 401.532 2.580 0 50 HFAA O=C1CN(Cc2ccc(CO)o2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 14732334 DJFGKAAAUIXDBN-HSZRJFAPSA-N 421.497 2.597 0 50 HFAA C[C@H]1C(=O)NCCN1Cc1ccccc1-c1nc(CCc2ccccc2)cc(=O)[nH]1 23368571 AVPGSOUTCGWZHI-KRWDZBQOSA-N 402.498 2.542 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)c(F)c1 44921372 PILDYLDNTIFGOQ-OAQYLSRUSA-N 423.444 2.658 0 50 HFAA O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263617169 MKXOAOVKFBXFTP-JOCHJYFZSA-N 409.534 2.774 0 50 HFAA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 299754293 HWYDUEOURTYBOM-DKBNTXJOSA-N 413.562 2.685 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670461901 MHRXJNBNVSFXED-XXBILOIISA-N 414.553 2.784 0 50 HFAA COc1ccc2cc(C(=O)Nc3ccccc3-c3nnn(C)n3)sc(=O)c2c1OC 824519476 MKSVSEMDCDCASA-UHFFFAOYSA-N 423.454 2.722 0 50 HFAA Cn1cnc2cc(C(=O)N(CCOc3ccccc3)C[C@H]3CCCO3)ccc2c1=O 952987287 MWDZOCZYWWHYJO-LJQANCHMSA-N 407.470 2.634 0 50 HFAA COc1cccc2c1OCCCN(CC(=O)Nc1nnc([C@H]3CCCO3)s1)C2 1506415821 QETJQSYFQWAGOI-OAHLLOKOSA-N 404.492 2.621 0 50 HFAA CCn1ncnc1[C@@H](C)NC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704316031 IYERIJPSCMMAHB-LLVKDONJSA-N 402.430 2.658 0 50 HFAA COCCC[C@@]1(CO)CN(C(=O)c2ccc(-c3cccc(OC)c3)o2)CC[C@H]1O 1857717627 QLFUCJSFERPLJR-IRLDBZIGSA-N 403.475 2.567 0 50 HFAA Cc1cccn2c(CC(=O)N3C[C@H](O)[C@H](Cc4ccnc5ccccc45)C3)cnc12 1875250282 MCMQNGLRBIAIJO-GCJKJVERSA-N 400.482 2.795 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](C)N(C(=O)OCc3ccccc3)[C@@H](C)C2)CC1 1875372139 XQDATYNVLRUAPI-ROUUACIJSA-N 413.518 2.669 0 50 HFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N[C@H]1CC[C@@H](C(=O)O)CC1 2356159375 XVBHVCATRVMYFZ-CALCHBBNSA-N 405.454 2.823 0 50 HFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccco3)o2)c1 2866237 RLNSAMMUQXHYHN-UHFFFAOYSA-N 417.399 2.634 0 50 HFAA CCOC(=O)c1ccc(NC(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2)cc1 6492043 XAHWVBFFKPMQLD-UHFFFAOYSA-N 407.426 2.737 0 50 HFAA COc1ccc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 6810224 FDAPUEHNVOHTBQ-OAHLLOKOSA-N 409.529 2.660 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)CC2=O)cc1 9668969 DJVKKVGGKPJCOU-IBGZPJMESA-N 420.513 2.929 0 50 HFAA Cc1nn(C)cc1CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 11879463 SYPQQQDAPSJPLU-NRFANRHFSA-N 409.578 2.721 0 50 HFAA COc1cccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1OC 12126346 HUOZQSFPPUDZLJ-GOSISDBHSA-N 413.522 2.759 0 50 HFAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(Cl)c1 12158741 FQJOEZHCRBPAJW-UXHICEINSA-N 410.909 2.501 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccccn2)CC1 12305611 ROIZHHPWPFNJIB-OAQYLSRUSA-N 400.567 2.634 0 50 HFAA Cc1ccccc1Cc1c(C(=O)NC(C)(C)CO)c(=O)cc(C)n1Cc1ccncc1 12509205 LYBPKKZHLBHBPJ-UHFFFAOYSA-N 419.525 3.000 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 12586977 QEYFVDQXMKSQFZ-HXUWFJFHSA-N 421.545 2.766 0 50 HFAA Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(CCc4cccc(F)c4)C3)CC2)n1 14959522 OWNWUQWWEARSNO-HXUWFJFHSA-N 424.520 2.659 0 50 HFAA O=C(NCc1ccncc1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20599327 IXNWHDWRPSUJTI-QPJJXVBHSA-N 417.513 2.831 0 50 HFAA CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 61720811 YHRWDFYXLDBDDZ-UHFFFAOYSA-N 420.538 2.981 0 50 HFAA O=C(O)c1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc2ccccc12 71775795 MWWKSZLOJAJNKM-INIZCTEOSA-N 422.529 2.892 0 50 HFAA COc1ccc([C@@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 239235385 VWIWPYCZKOWENP-WIYYLYMNSA-N 418.501 2.767 0 50 HFAA CC[C@@](O)(C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1 241720932 QTLOXOWDQFFWPF-DLBZAZTESA-N 419.831 2.628 0 50 HFAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCS[C@H]1c1ccccc1F)C2=O 241965488 UTGMVTRFOSSCHM-ASUYLVSUSA-N 405.495 2.900 0 50 HFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 470405483 SZESIRPOTOQCMG-MZMPZRCHSA-N 420.435 2.729 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(S(C)(=O)=O)C[C@]3(CCc3ccccc3)C2)c(C)o1 1772811473 WVAUQGHOSJNRMX-UGKGYDQZSA-N 416.543 2.863 0 50 HFAA CC(C)c1nnc(N2C[C@@H](C(=O)NCC3CCN(C4CCCC4)CC3)CC2=O)s1 1857739863 WNSOZAYLCWWJSI-INIZCTEOSA-N 419.595 2.785 0 50 HFAA Cc1c(-c2cn(C3CCN(C(=O)C[C@H]4CC5(CCCC5)CO4)CC3)nn2)cnn1C 1875338364 VJBCTBCANHNPLB-SFHVURJKSA-N 412.538 2.890 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 686560 GBFXICNWVMLLRO-UHFFFAOYSA-N 415.284 2.989 0 50 HFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 916157 YGCMOPUPDKJCCJ-IBGZPJMESA-N 418.515 2.576 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cccc(Br)c1 1173282 ACFOWFKPUPLTCJ-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4027331 LCLXBNDAOUUZSN-VQTJNVASSA-N 412.486 2.838 0 50 HFAA biogenic CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC[C@@H](C(=O)OCC)C1 11871758 IZZIYQVZEQKUTD-MRXNPFEDSA-N 415.490 2.833 0 50 HFAA CN1CCC(O)(c2ccc3c(c2)CN(C(=O)c2cc(F)cc(F)c2)CCO3)CC1 12100247 BMOOZLFDUCXXJV-UHFFFAOYSA-N 402.441 2.913 0 50 HFAA COc1ccc(C(=O)Nc2ccc(N3CCC(NCCNC(C)=O)CC3)cc2)cc1 12165128 BWUIEROIEJDMAE-UHFFFAOYSA-N 410.518 2.642 0 50 HFAA O=C(C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1)N1CCCC1 12712600 MSVAOXOMCXHBBF-LJQANCHMSA-N 403.567 2.809 0 50 HFAA O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860263 FTOJZRCPJALPJT-QGZVFWFLSA-N 407.923 2.593 0 50 HFAA CC1(C)CC(=O)c2cnc(NC(=O)CN3CCN(c4ccccc4F)CC3)nc2C1 35810141 WHQCOEXPQSJMTJ-UHFFFAOYSA-N 411.481 2.532 0 50 HFAA CCOC(=O)c1ccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)cc1 36125504 HEKJYBDVCHFVGW-UHFFFAOYSA-N 403.320 2.624 0 50 HFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc([C@H](C)N(C)C)c2)c1 72167635 QKJJOLPHRZGICE-AWEZNQCLSA-N 406.504 2.599 0 50 HFAA COc1ccccc1CC(=O)NCc1nnc2c(-c3nc(C(C)C)no3)cccn12 169775913 FNXUWTZOMNAKHG-UHFFFAOYSA-N 406.446 2.770 0 50 HFAA CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(c2ncccn2)CC1 170610079 KZICWKABUZOGOD-QGZVFWFLSA-N 403.527 2.599 0 50 HFAA CCn1c(SC[C@H]2CCC(=O)N2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 241515597 OGKPOEYPKYTANJ-CQSZACIVSA-N 422.576 2.602 0 50 HFAA CC(=O)N1CCCN(C(=O)Cc2ccsc2)CCNC(=O)C[C@@H]1c1ccccc1 952862032 FILFWHHFFMDZBL-HXUWFJFHSA-N 413.543 2.619 0 50 HFAA CCn1cncc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1=O 1278743439 JTIIYOJMFDEHGF-UHFFFAOYSA-N 401.426 2.523 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C3CCN(C(=O)c4ccncc4)CC3)C1)CC2 1704325658 LIHASICEKKQFGW-DEOSSOPVSA-N 420.561 2.522 0 50 HFAA CN(CC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13)Cc1ccc(F)cc1 1857730710 ZGUAKVAUOQJXOG-IMSXRSKXSA-N 423.488 2.559 0 50 HFAA CCC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2ccon2)C1 1875242069 MAYUMAPKMAVCCG-HSZRJFAPSA-N 418.501 2.777 0 50 HFAA CC(C)CO[C@H](C(=O)NCC1(NC(=O)c2cnn3ccsc23)CCC1)C(C)C 2325829266 DTTISTDTLIYOFH-INIZCTEOSA-N 406.552 2.862 0 50 HFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N(C)Cc3nccn3Cc3ccccc3)cn12 2356166008 SNGIOBXTTFHXHO-NRFANRHFSA-N 418.501 2.936 0 50 HFAA O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 858089 MMKIKYYBMRHEPS-RDJZCZTQSA-N 403.818 2.700 0 50 HFAA Cn1c(=O)c2c(nc(SCc3cccc(F)c3)n2Cc2ccccc2)n(C)c1=O 1423859 HZKHSOCYVCTNNL-UHFFFAOYSA-N 410.474 2.913 0 50 HFAA COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)Cn1c(=O)sc2ccccc21 1432377 IQCLTESULLJSBU-UHFFFAOYSA-N 411.439 2.978 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 4834423 LVSVAKJSTSWIBT-UHFFFAOYSA-N 416.543 2.845 0 50 HFAA biogenic COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 11879109 CVBHRFXFXQZLQN-HNNXBMFYSA-N 402.470 2.843 0 50 HFAA CN1C(=O)C[C@](CC(=O)N(C)[C@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O 12158801 PBDJAXKGTOQPCA-GBXCKJPGSA-N 406.482 2.618 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1 13009065 ATSQRYJLANYNDD-UHFFFAOYSA-N 406.490 2.640 0 50 HFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCc2cccs2)CC1=O 14531366 QJTOMXJIXKRXFH-IBGZPJMESA-N 415.559 2.988 0 50 HFAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@@H](O)CN(C)C1CCCCC1 14981260 CHGHRFINSZUERU-FQEVSTJZSA-N 408.583 2.808 0 50 HFAA Cc1ccc(C(=O)N2CCC(=O)N(Cc3ccccc3F)CC2)cc1N1CCNC1=O 14990407 HLGVGUINDHTZOB-UHFFFAOYSA-N 424.476 2.538 0 50 HFAA CC(C)CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2C1=O 16637025 XBWAMEGXZAACCR-UHFFFAOYSA-N 406.486 2.686 0 50 HFAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 19771880 LBUQIEDFHDJSHV-UHFFFAOYSA-N 404.532 2.991 0 50 HFAA O=C([C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCCNCC1 67867051 RKLFQUDONUKZBI-IBGZPJMESA-N 405.546 2.671 0 50 HFAA C[C@H](NC(=O)[C@H](C)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 170599755 SQZAUBZSEFMMCS-RLFYNMQTSA-N 409.502 2.617 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 230279069 DBNXODGUIPCCQD-HPAIXVDQSA-N 418.545 2.684 0 50 HFAA COc1ccc(C2(CNC(=O)[C@@H](C)N3Cc4ccccc4C3=O)CCOCC2)cc1 334162811 ZRAOHOWNJLECBG-QGZVFWFLSA-N 408.498 2.904 0 50 HFAA Cc1ccc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 920043009 DODKKLVSRIGGAF-OAHLLOKOSA-N 422.576 2.875 0 50 HFAA CCc1nc2ccccc2n1CCC(=O)N1CC[C@H]2[C@@H](C1)CN2Cc1cccnc1N 1800410662 ADMDDGQBYQQZQZ-ICSRJNTNSA-N 418.545 2.699 0 50 HFAA O=C(CCCOc1ccccc1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857696899 PUPJGMAMYCQTNB-VXKWHMMOSA-N 408.498 2.874 0 50 HFAA CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1 1875248977 BWGLOKOHAIMLCS-RBUKOAKNSA-N 402.516 2.962 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 1875383019 CHTFRKFDZLYINH-IECBHUPTSA-N 406.482 2.735 0 50 HFAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C)c3F)C2)CCC1=O 2325864076 FWZKZAOHEWQJOI-SJORKVTESA-N 403.498 2.504 0 50 HFAA COc1ccc(-n2c(COc3cccc4cccnc34)nnc2SCC(N)=O)cc1 1447511 XOWGGSDDTJYVPE-UHFFFAOYSA-N 421.482 2.981 0 50 HFAA CCCc1cc2c(=O)n(NC(=O)c3nn(C)c(C)c3Br)c(C)nc2s1 2779022 NPTMQZCQDDLZIN-UHFFFAOYSA-N 424.324 2.907 0 50 HFAA COc1cc(OC)cc(C(=O)NCCCCNC(=O)c2cc(OC)cc(OC)c2)c1 4652329 SMHATGULEJKTCR-UHFFFAOYSA-N 416.474 2.661 0 50 HFAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@@H](O)CN1CCCCCC1 11816509 DIOQGSGVNAOOQU-IBGZPJMESA-N 418.538 2.634 0 50 HFAA CC(C)CCn1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC(C)(C)C)c1 12333131 LZLMMGDSFIOPGM-UHFFFAOYSA-N 420.598 2.740 0 50 HFAA COc1cccc(CO[C@@H]2CN(Cc3ccc(CO)o3)CC(=O)N(CC(C)C)C2)c1 14536826 RALAPEKHHSRIGS-JOCHJYFZSA-N 416.518 2.666 0 50 HFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1I)C(=O)CO2 15019495 MIUWRRQHXWYMKZ-UHFFFAOYSA-N 422.222 2.964 0 50 HFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2ccncc2)c1=O 20907915 OFPWNBQBOBOEFD-UHFFFAOYSA-N 412.534 2.648 0 50 HFAA COc1ccc(-c2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)cc1OC 54274501 ZKGXUYKWCNSGLR-UHFFFAOYSA-N 406.486 2.776 0 50 HFAA CCN1CCN(C(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 67622707 YYHPOVFUHWPYPL-UHFFFAOYSA-N 419.522 2.570 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 77469807 MTJMTLQQKNPFES-MXBUBSDBSA-N 407.470 2.545 0 50 HFAA COc1cccc(COC(=O)C2=CN(Cc3ccccc3)S(=O)(=O)N=C2C)c1 169755156 SDBCYKFMOZKPLT-UHFFFAOYSA-N 400.456 2.844 0 50 HFAA CN(C)c1cccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 169775671 MSILRATWGGDYAX-UHFFFAOYSA-N 419.460 2.798 0 50 HFAA O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(OC[C@@H]2CCCO2)cc1 225564420 GYXXAPHROUXCHU-IBGZPJMESA-N 422.489 2.669 0 50 HFAA COc1ccc(CNC(=O)CCN2CCc3cc(OC)c(OC)cc3C2)cc1OC 253409318 LQWXOQBAIZAIGP-UHFFFAOYSA-N 414.502 2.786 0 50 HFAA biogenic C[C@@H](C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)c1ccc(Cl)s1 328592183 KBKFUJRACYFGPW-MRVPVSSYSA-N 405.954 2.918 0 50 HFAA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)COc3cccc(Cl)c3)C2)c(=O)c1 328606900 TWXGZSWPODTMAK-KRWDZBQOSA-N 418.925 2.984 0 50 HFAA O[C@H]1CCN(c2ccnc(N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)n2)C1 1704302670 AGWUPLYFOFWCJV-INIZCTEOSA-N 405.502 2.597 0 50 HFAA O=C(c1cc(=O)cc[nH]1)N1CC[C@@H]([C@@H]2CCCN2C(=O)c2cc(O)c3ccoc3c2)C1 2332239556 KAUFCTLQFJZKQA-KUHUBIRLSA-N 421.453 2.594 0 50 HFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C2)n1 2356147458 XGMJOEWILVBVGO-INIZCTEOSA-N 400.548 2.800 0 50 HFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc(OC)c(OC)c(OC)c1Br 720133 ALTYBBRPPQNORC-SECBINFHSA-N 414.252 2.525 0 50 HFAA O=C(Nc1nccs1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 1079704 VYWOGWNBYYOYDH-AWEZNQCLSA-N 405.526 2.959 0 50 HFAA Cn1c(=O)c2c(nc(Oc3ccc(F)cc3F)n2Cc2ccccc2F)n(C)c1=O 9410819 VBSYFMGAAZPDCS-UHFFFAOYSA-N 416.359 2.692 0 50 HFAA COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1OC 10313211 JJHRZEQENQRULH-UHFFFAOYSA-N 408.458 2.973 0 50 HFAA CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)CC1 12244286 IPHXBGBHRSQRGN-OAQYLSRUSA-N 421.925 2.612 0 50 HFAA CCN(CC)[C@@H]1CCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 12475911 YUWPKESIDONPNO-QGZVFWFLSA-N 416.522 2.553 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(C(=O)c3ccncc3)CC2)c(Cl)c1 12705423 GDZFYYQGVVQFRM-UHFFFAOYSA-N 417.893 2.795 0 50 HFAA COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12718217 GPAXWFPUMNSOBD-FQEVSTJZSA-N 414.502 2.634 0 50 HFAA CC(=O)OC[C@H]1CC2=C(C[C@H]1COC(C)=O)C[C@@H](COC(C)=O)[C@H](COC(C)=O)C2 43198983 UBGPJHUSWLGIBL-MYGLTJDJSA-N 424.490 2.588 0 50 HFAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 54146959 GKWVGOLGWNYBLQ-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA Cc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55385429 PZONIPUXJIVZSO-LJQANCHMSA-N 403.885 2.794 0 50 HFAA Cc1nnsc1C(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 95530656 PUKLTRCGDONMKO-MRXNPFEDSA-N 401.536 2.575 0 50 HFAA C[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N(C)c1ccccc1 229712217 IZNPLFBGXSGJPK-XPGWFJOJSA-N 415.534 2.610 0 50 HFAA O=C1N[C@H](CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587247 DVCRTJHJIKKCMZ-RTBURBONSA-N 417.469 2.757 0 50 HFAA O=S(=O)(NCCN1CC[C@H](c2ccccc2)C1)c1ccc2nc(O)sc2c1 670474188 RFWREZAHCFHAES-HNNXBMFYSA-N 403.529 2.770 0 50 HFAA O=C1CN(Cc2cccc(Cn3cccn3)c2)CCN1Cc1ccc2c(c1)OCO2 828286449 RUYATRPLGNOFOX-UHFFFAOYSA-N 404.470 2.505 0 50 HFAA Cc1cccc(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)C4CCC4)CC3)[C@H]2O)c1C 1704315501 HNCSLKBGRGBSPF-XZOQPEGZSA-N 414.546 2.734 0 50 HFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCN(C(=O)C4CC4)CC3)c2)on1 1772811217 RQWOZXVFZFGMQV-UHFFFAOYSA-N 403.504 2.591 0 50 HFAA CC(=O)NCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857697304 OFAJPSRZAAZEOI-NRFANRHFSA-N 401.551 2.611 0 50 HFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1n[nH]c2c1CCCC2 1857723034 UPOIAUPXSMMPMC-TXPKVOOTSA-N 400.910 2.886 0 50 HFAA O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc2[nH]nc(C(=O)O)c2c1 1875302055 YMQZSWHNEIOAAR-QGZVFWFLSA-N 409.442 2.887 0 50 HFAA CCC[C@@]1(CO)CN(Cc2cc(C)cc(CN3CCN(CC)CC3)c2C)CC[C@@H]1O 2356137189 RQFBQGJRDKJUFY-DQEYMECFSA-N 417.638 2.786 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2OC)cc1OC 871606 URBHVQJCZCEQKH-UHFFFAOYSA-N 415.851 2.646 0 50 HFAA biogenic COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1 4295114 CLLPXGLSNMQJCK-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCC1C2CC3CC(C2)CC1C3 11774956 DOQPQXXKGOHZTA-DXPSZRCDSA-N 423.601 2.998 0 50 HFAA COc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1 12002340 OMGOOYSPESCBQJ-UHFFFAOYSA-N 404.488 2.569 0 50 HFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 12155409 AWHRNDNNPACBJY-QMHKHESXSA-N 416.493 2.696 0 50 HFAA CN(C)c1nc(-c2ccccc2)ccc1C(=O)N1CCC(N2CCC(O)CC2)CC1 12190474 PBOUZKCMFGICOU-UHFFFAOYSA-N 408.546 2.876 0 50 HFAA COc1ncc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)cn1 12226222 LUTPVFSHDXLMKM-NRFANRHFSA-N 402.445 2.892 0 50 HFAA CN(C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)[C@@H]1CCOC1 12716064 IVYTWININMFZPJ-LJQANCHMSA-N 412.534 2.756 0 50 HFAA CC(=O)NCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 14954582 BRVDVQOKQFRUST-UHFFFAOYSA-N 409.530 2.638 0 50 HFAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O 14991119 DBBHEXAZGUTISW-UHFFFAOYSA-N 416.566 2.660 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)c(C)c1C 19791324 JXHFFXFFDRRNCZ-FQEVSTJZSA-N 410.518 2.917 0 50 HFAA Cc1cc(Cl)c2oc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)c2c1 20450947 SBACFTPLMMEKRO-AWEZNQCLSA-N 410.923 2.648 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)no1)C2 20855010 ORFYCWRYLUHFFR-UHFFFAOYSA-N 419.485 2.993 0 50 HFAA COc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 39387724 HGGVPCWNVXRXAF-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA O=C(NCCc1cccnc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55041925 DBTNOMNDHWMFJQ-UHFFFAOYSA-N 409.465 2.503 0 50 HFAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 67774234 PVXSLXFNVOMLIX-KRWDZBQOSA-N 407.445 2.964 0 50 HFAA O=C(c1cncc(Cl)c1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71575501 LMJYIYDBNJPVIP-INIZCTEOSA-N 404.942 2.674 0 50 HFAA C/C=C\C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(=O)OCC 221848879 LXQZGVXJWQYGIB-HFBOFBSRSA-N 423.307 2.816 0 50 HFAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([S@](C)=O)CC3)cc2)cc1C 225673445 XJYWPHJKVUJCFR-MHZLTWQESA-N 420.556 2.745 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 229632504 NIPJRDFYHQYARM-YSSFQJQWSA-N 421.563 2.693 0 50 HFAA Nc1nc(CCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cs1 253430620 RLEMOBLOOMPQCP-UHFFFAOYSA-N 416.816 2.993 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc5c(c4)OCCO5)c3CO2)cc1 263615414 CGZFFUSMJWFULG-IBGZPJMESA-N 408.414 2.582 0 50 HFAA O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(O)(Cc2cccc(F)c2)CC1 474836167 WROKPLYLVARFNK-LJQANCHMSA-N 417.525 2.650 0 50 HFAA O=C(CNC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)NCC1CC1 477555681 CVLVQHMCSRCGSL-UHFFFAOYSA-N 420.513 2.856 0 50 HFAA CCOC(=O)C1(C)CCN([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 1875256021 RZPHDOLAFAWDJK-CQSZACIVSA-N 405.495 2.646 0 50 HFAA CSC1(C(=O)N[C@H]2CN(C(=O)c3occc3Br)CC[C@H]2C)CC1 1875345562 BRCPMZRQVGYCOW-PWSUYJOCSA-N 401.326 2.905 0 50 HFAA CCN1CCC[C@H](Nc2ncncc2C(=O)N[C@@H](CF)c2ccc(OC)cc2)C1 1875361164 SMJJQTLIYHRYPU-LPHOPBHVSA-N 401.486 2.822 0 50 HFAA CC(C)(OCC(F)(F)F)C(=O)N[C@@H]1CCCN(C(=O)C2([C@@H]3CCCCO3)CC2)C1 2325829515 LNRJXBWPRKDEPR-CABCVRRESA-N 420.472 2.800 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cc(C)cc(C)c2)cc1OC 827532 LHILSEFFVMNOCC-UHFFFAOYSA-N 406.504 2.604 0 50 HFAA O=C(O)Cn1c(CCS(=O)(=O)c2ccc(Br)cc2)nc2ccccc21 896620 CEDFRQLWCLSYOS-UHFFFAOYSA-N 423.288 2.900 0 50 HFAA COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c1 1149652 PLRMOAYJFVDASM-GOSISDBHSA-N 406.232 2.879 0 50 HFAA Ic1cc2c(cc1I)N1CCN2CC1 3880271 LZZFDYOKQNTINW-UHFFFAOYSA-N 412.012 2.536 0 50 HFAA CC(C)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O 11785839 YUHBPYNOHBQTLP-DEOSSOPVSA-N 423.513 2.804 0 50 HFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@H]2CCCN(c3ncccn3)C2)c1 12034782 LYJHYXDAAIDCAT-LEWJYISDSA-N 423.561 2.873 0 50 HFAA Cc1ccccc1[C@]1(CC(=O)N2CCC(O)CC2)CC(=O)N(Cc2ccccc2)C1=O 12040000 ZXHGRRXUJPOGDK-VWLOTQADSA-N 420.509 2.565 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@@H]2OCCc3ccccc32)c1=O 15071364 AYULCVQCWIHBAB-NRFANRHFSA-N 423.513 2.757 0 50 HFAA CC1=C(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)OCCO1 15079249 FYVDJEVNRMMLAC-NRFANRHFSA-N 406.429 2.584 0 50 HFAA Cc1cccn2c(CN3CCN(C)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 20601250 RNQNRSSFIDFWAA-UHFFFAOYSA-N 405.546 2.705 0 50 HFAA Cc1c(C)c2ccc(OC[C@H](O)CN3CCN(c4ccccn4)CC3)c(C)c2oc1=O 35686218 IIEQLWBXXMHXSA-LJQANCHMSA-N 423.513 2.675 0 50 HFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 40266450 IOWGFAIXCUGVPD-UHFFFAOYSA-N 402.498 2.691 0 50 HFAA CCC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77539118 BOJPMVDAYMWTBV-GFCCVEGCSA-N 408.549 2.968 0 50 HFAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21 249703408 ZTGJOFZDWOHVRU-ZSYWTGECSA-N 407.857 2.917 0 50 HFAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 252474430 DIXAGUYKUWRZJA-IYARVYRRSA-N 407.518 2.870 0 50 HFAA O=S1(=O)CCCN1c1ccc(CN[C@H](c2nc[nH]n2)C2CCCCC2)cc1F 494978576 JWEMXPJNPHSBSF-SFHVURJKSA-N 407.515 2.895 0 50 HFAA COc1ccccc1[C@@H](NC(=O)N(CC(=O)O)Cc1ccccc1)c1nccn1C 888094357 KHTJWECNYXREQS-HXUWFJFHSA-N 408.458 2.815 0 50 HFAA CC(=O)N1CCC(CC(=O)NCc2cccc(F)c2)(N2Cc3ccccc3C2=O)CC1 952963378 PRLAHUVJDWCXMG-UHFFFAOYSA-N 423.488 2.869 0 50 HFAA Cc1nccn1-c1ccc(CNC(=O)N2CC(=O)NC[C@H]2c2ccccc2)cc1F 1221337007 ODJGQSICIFCQNT-FQEVSTJZSA-N 407.449 2.703 0 50 HFAA CCc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)NC(C)C)C[C@]2(CCC(=O)O)C1 1772808622 WISZHIGWIIWQQF-VGSWGCGISA-N 401.507 2.606 0 50 HFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)Cc1ccc(C)cc1C 1875333976 SKLBSLMVDSMQPT-NFBKMPQASA-N 407.514 2.552 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1 2268875 NFVCMNMUGFFMTG-LYPXWFNGSA-N 408.479 2.700 0 50 HFAA COc1ccc(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 4524718 KQWLHVRTUWBZLJ-GOSISDBHSA-N 416.499 2.729 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1)c1ccccc1 4852375 USTLVBOTJNQINT-UXHICEINSA-N 402.516 2.686 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C(F)=C/c1ccccc1)CC2 12079872 CORRUUIPDBJAMU-ZCWPUFOUSA-N 412.465 2.976 0 50 HFAA Cc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12441692 NJGFNODPPLIJRT-FQEVSTJZSA-N 421.545 2.766 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 12453071 YYXNKGRXCBHNMU-FQEVSTJZSA-N 405.520 2.603 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@H](C)CSC)CC3)cc1 14537782 ZQZGMHNVGDCFKU-MRXNPFEDSA-N 405.564 2.718 0 50 HFAA COc1cccc(C(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1 19564560 YSWBJIPHDLMGEW-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCCc3ccccc3)c2)CC1 20540044 NUXLHMCFPCBJMO-XMMPIXPASA-N 411.590 2.786 0 50 HFAA CCN(CCOc1cccc(OC)c1)C(=O)c1ccc(CN2CCN(C)CC2)o1 55042473 SWWCUNLGWCQISS-UHFFFAOYSA-N 401.507 2.577 0 50 HFAA CC[C@@H](C(=O)NC)n1nc(Br)c(Br)c1Br 59949722 QOCDBPLNLLXFLK-BYPYZUCNSA-N 403.900 2.868 0 50 HFAA CC(C)c1ccc(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)cc1 64066905 HWIKHGRZAWVZNF-GOTSBHOMSA-N 418.545 2.971 0 50 HFAA CC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100631640 FCJXOOLOHHNZMO-WBVHZDCISA-N 412.243 2.772 0 50 HFAA CN(C(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)C1CCCCC1 263619539 ZDQCFFYOIJMCAI-UHFFFAOYSA-N 412.465 2.586 0 50 HFAA NC(=O)c1ccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cn1 476692860 RGPSIKAUJYKACA-UHFFFAOYSA-N 414.824 2.553 0 50 HFAA O=C(CN1CCC(N2CCCCC2=O)CC1)N[C@H](c1ccccc1)c1nccs1 478021335 FCIYYKNUZYKLTQ-OAQYLSRUSA-N 412.559 2.826 0 50 HFAA COc1cccc2c1OC[C@H](NS(=O)(=O)c1ccc(-c3n[nH]c(C)c3C)o1)C2 824804715 IARXUBFPODJDMI-CQSZACIVSA-N 403.460 2.577 0 50 HFAA O=C1C[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1Cc1cccnc1 827696497 QAUVRGUMOLEGCH-SFHVURJKSA-N 404.470 2.978 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)Cc2ccncc2)C1)c1ccccc1OC(F)F 952990492 UPCGMJVLLPMAGH-INIZCTEOSA-N 403.429 2.894 0 50 HFAA CCc1ccccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857710003 CLPUWJPDRZRJNR-UHFFFAOYSA-N 422.529 2.701 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccccc1 1875249719 SRGICXBGAUILGI-GMAHTHKFSA-N 407.514 2.957 0 50 HFAA COC(=O)C[C@@H](NC(=O)NCCc1ccc(S(C)(=O)=O)cc1)c1ccccc1C 1875261038 MNPAQMIOEKOVFO-LJQANCHMSA-N 418.515 2.545 0 50 HFAA Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@@H]1Cc1cccc(F)c1 2325749150 ONUNNIJHBATNQL-CYBMUJFWSA-N 402.289 2.718 0 50 HFAA Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(=O)N2CCC2)c(Cl)cc1Cl 2325853975 JOWKRJCIYPOZPQ-UHFFFAOYSA-N 403.291 2.682 0 50 HFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(I)c1 1466650 UJYODEZXDAVRLF-UHFFFAOYSA-N 420.206 2.916 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 4064447 AZCNJEFLSOQGST-DJBGFQDESA-N 404.503 2.641 0 50 HFAA biogenic Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)n1 5888384 FYQXEANIXCJNNU-UHFFFAOYSA-N 414.531 2.920 0 50 HFAA COC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)N[C@H]1c1cc(C)ccc1C 8682920 JHDYRECMUOTJIX-NRFANRHFSA-N 424.453 2.985 0 50 HFAA O=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(Cl)cc1 11697860 GTOFSQWFZRAUQE-UHFFFAOYSA-N 404.883 2.659 0 50 HFAA CCc1cc(C(=O)NC[C@@H]2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)n(C)n1 11880753 CXRPMVHXNPWRGB-HNNXBMFYSA-N 409.465 2.929 0 50 HFAA CC(=O)NCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 11933238 NKIDQORPXWXTMM-HSZRJFAPSA-N 415.578 2.741 0 50 HFAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)NCc2cn3ccc(C)cc3n2)c1=O 12246491 UMRMJQYJYTXGSY-UHFFFAOYSA-N 423.517 2.845 0 50 HFAA COc1ccc(CN2C(=O)O[C@@H]3CN(C(=O)NC4CCCCC4)C[C@@H]32)cc1OC 12373685 GRTRTZQUHMPXBG-QFBILLFUSA-N 403.479 2.751 0 50 HFAA COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)cc1 13522084 ZBMHMONTCGJMQH-PDGQHHTCSA-N 412.467 2.851 0 50 HFAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1cccc(O)c1)CC2 14746480 ALSXSLYENLJSON-UHFFFAOYSA-N 423.542 2.944 0 50 HFAA CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)N1CCOCC1 16651815 KLUOZSGAKQVLQW-UHFFFAOYSA-N 412.577 2.882 0 50 HFAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN(C)C[C@H]1COCCO1 20109508 KFHUDSDVZHVWQB-AWEZNQCLSA-N 416.503 2.506 0 50 HFAA CC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100631639 FCJXOOLOHHNZMO-NVXWUHKLSA-N 412.243 2.772 0 50 HFAA COc1ccccc1-c1ncc(CN2CCN(C)[C@]3(CCNC(=O)CC3)C2)s1 108036217 WWAAVUKTPVIFRT-OAQYLSRUSA-N 400.548 2.605 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 252694555 MCOZDZJHNKOQRG-ZEVXLENSSA-N 410.514 2.670 0 50 HFAA Cc1ccc(NC2(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CCCCC2)cc1 826829148 VBXXSOABCQMHDX-LJQANCHMSA-N 400.567 2.813 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)cc2)CC1 952984186 OVBHFKPIYIBMPN-GOSISDBHSA-N 408.502 2.542 0 50 HFAA COCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 1309562739 PQSDDMRIYZVNKN-UHFFFAOYSA-N 401.916 2.536 0 50 HFAA Cc1nonc1OCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857671988 BFLDFTMCPDUTER-GFCCVEGCSA-N 405.842 2.584 0 50 HFAA O=C(c1cc(O)nc2ccccc12)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857729515 DBFMHUKPVZPEIJ-ROKPMTFOSA-N 415.449 2.855 0 50 HFAA CC(=O)N1CCC[C@]2(CCc3c(N4CCCN(C)CC4)nc(-c4cccnc4)nc32)C1 1875247504 NAJBLRUGBPDTBL-DEOSSOPVSA-N 420.561 2.507 0 50 HFAA Ic1cc2c(NC[C@H]3CN4CCC[C@@H]4CO3)ncnc2s1 1875341326 OXIPFLFOUUUEIA-ZJUUUORDSA-N 416.288 2.571 0 50 HFAA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc3c1C(=O)N(c1ccccc1)C3=O)C2=O 1208970 PAJSHFHXXDAGHD-UHFFFAOYSA-N 412.357 2.986 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1 11874037 YZPWABDYZMLCBG-INIZCTEOSA-N 404.507 2.772 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCSC)C3)C2=O)c1OC 12194173 KWWVCPIDELOSHR-OAQYLSRUSA-N 406.548 2.798 0 50 HFAA COc1cccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@@H]2CCO)c1 19225276 INLZHTQEIQQWAH-IBGZPJMESA-N 416.591 2.821 0 50 HFAA COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20232280 RHQKPIPVMLBVJH-IBGZPJMESA-N 404.894 2.689 0 50 HFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)ccc2C)CC3)o1 20906666 GGJBZVNPGOSMOR-UHFFFAOYSA-N 423.517 2.623 0 50 HFAA Nc1c(Br)c(C(=O)O)c(Br)c(C(=O)O)c1Br 44678079 KGKQFJKPOZCZLD-UHFFFAOYSA-N 417.835 2.953 0 50 HFAA in-vivo O=C(Cn1cc2ccccc2n1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 55575455 VPIZGVTTYDARSR-QFIPXVFZSA-N 403.530 2.850 0 50 HFAA Cc1cnn(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)c1 95501059 UFQYXAMILPSMDJ-UHFFFAOYSA-N 400.910 2.886 0 50 HFAA C[S@@](=O)C1(CNC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1 437613229 BAIMYWVCLTWTLE-HHHXNRCGSA-N 423.848 2.502 0 50 HFAA Cc1sc2nc(CCNC(=O)c3cnn(-c4ccccn4)c3C)nc(O)c2c1C 670467547 SZMURYKKQXLVQJ-UHFFFAOYSA-N 408.487 2.875 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)NCc3n[nH]c4c3CCCCC4)CC2)c1 670469526 GAMFBKZSPTWXOT-UHFFFAOYSA-N 410.518 2.856 0 50 HFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1csc(Cc2ccccc2)n1 670470849 CUMMKJAMRKPUKW-HXUWFJFHSA-N 408.527 2.932 0 50 HFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)CCN3CCCCCC3=O)O2)CC1 952990341 IAQSQPKSHCTGIW-HXUWFJFHSA-N 405.583 2.875 0 50 HFAA Cn1c(C(=O)N2CCC[C@H](CNC(=O)c3ccnnc3)C2)ccc1-c1ccccc1 952991478 SJXRNLZCVXJNIQ-QGZVFWFLSA-N 403.486 2.764 0 50 HFAA C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1nnc2cc(Cl)ccc2c1=O 1875255859 RXGQYSKBNCYUHH-NEPJUHHUSA-N 414.849 2.655 0 50 HFAA COc1ccc([C@H]2C[C@@H](C)N(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)C2)cc1 1875259725 LCPRSXJNQWRGFB-ZBFHGGJFSA-N 407.470 2.738 0 50 HFAA COc1cc2nc(N3CCC[C@]4(CCc5cnc(C)nc54)C3)[nH]c(=N)c2cc1OC 2356147431 WGRKBZVHSUCCIU-QFIPXVFZSA-N 406.490 2.642 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 1009628 QHWQRSRLVPZOAH-PLMOITTCSA-N 401.168 2.778 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 1150678 VAJMRMFWQCWKQD-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA COc1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 1428900 GVKZOYXTOVFRQE-UHFFFAOYSA-N 413.430 2.744 0 50 HFAA biogenic COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 2261887 WFMMOBVVDZKYGR-OAHLLOKOSA-N 410.426 2.731 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OCC(=O)OC)ccc2ccccc12 2490384 VLMQIGDFNVZPNC-IBGZPJMESA-N 414.483 2.748 0 50 HFAA CCCc1cc2c(=O)n(NC(=O)Cn3cc(Br)c(C)n3)c(C)nc2s1 2781848 KBQQWXDZGKHYJG-UHFFFAOYSA-N 424.324 2.757 0 50 HFAA COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2852748 MPTAVYOZIZWMMF-UHFFFAOYSA-N 424.906 2.930 0 50 HFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H](C(=O)O)C1 4818906 FFCAWQQEPFXANX-MSOLQXFVSA-N 400.475 2.507 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1 11843149 WYNBZQSFPZOJBH-UHFFFAOYSA-N 401.551 2.630 0 50 HFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 11872812 PGEHFXFNVBFVTB-UXHICEINSA-N 424.497 2.784 0 50 HFAA COC(=O)CN(C)C(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 12030278 OBHZHCVYOTVNJW-UHFFFAOYSA-N 400.450 2.677 0 50 HFAA CCOC(=O)CCNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12386921 LGJJOYJSNPXTSS-UHFFFAOYSA-N 422.529 2.918 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCC(CCO)CC2)n1Cc1ccccc1F 12433649 LTFHIFHRFKEVNO-UHFFFAOYSA-N 423.554 2.847 0 50 HFAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14747333 QIHFUBPULVJNNL-UHFFFAOYSA-N 416.566 2.599 0 50 HFAA CCN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O 16650133 DZCBNEWNEYZGAE-UHFFFAOYSA-N 415.515 2.961 0 50 HFAA Cc1c(C)c2ccc(OC[C@@H](O)CN3CCN(c4ccccn4)CC3)c(C)c2oc1=O 20724470 IIEQLWBXXMHXSA-IBGZPJMESA-N 423.513 2.675 0 50 HFAA COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@@H](O)CN1CCCCC1 95496971 MVOCCBUZTHPTOI-IBGZPJMESA-N 403.523 2.849 0 50 HFAA COCCCN1C(=O)C[C@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2ccccc2C)C1=O 104517510 ZWBQVISMWJJMDF-JXQFQVJHSA-N 412.530 2.819 0 50 HFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239203313 SCZZHUCHTIMFSN-JPZKOQLUSA-N 400.862 2.729 0 50 HFAA O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1 469924766 QBCKQBDUODBYTK-AWEZNQCLSA-N 406.368 2.954 0 50 HFAA Cc1c(S(=O)(=O)NCCCN2CCC[C@@H](O)C2)sc2ccc(Cl)cc12 670438232 WLHUUPFRESKHAL-CQSZACIVSA-N 402.969 2.988 0 50 HFAA COc1cc2c(cc1CN1CCC[C@@H](CNC(=O)c3c(C)noc3C)C1)OCO2 824619473 JNMUGOBDSJUJQK-HNNXBMFYSA-N 401.463 2.671 0 50 HFAA CC[C@@H](c1ccccc1)c1nn2c([C@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726903 PMDKNYLKQMYYNT-GJZGRUSLSA-N 405.549 2.867 0 50 HFAA O=C(CCOCC1CC1)N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952891814 CKVVJYHYOAUQGX-GOSISDBHSA-N 410.396 2.981 0 50 HFAA CCCn1nc(CC(N)=O)nc1[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857666377 CUYBBRZNGOKEFJ-GFCCVEGCSA-N 402.886 2.895 0 50 HFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc(O)n1 1857700923 CFSCSALNHKIVRF-QHCPKHFHSA-N 417.469 2.773 0 50 HFAA COC(=O)/C=C/CCNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 1875311873 OFUKWPBLMUIBKO-OGOUPESXSA-N 403.504 2.690 0 50 HFAA CC1(C)c2ccccc2N(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]1C(=O)O 1875322756 GJGQNPIBOBAQPA-GOSISDBHSA-N 403.456 2.788 0 50 HFAA O=C(OC[C@H]1Cc2cc(Br)ccc2O1)c1ccc2c(c1)CCS2(=O)=O 1875322978 QFVPRLVRCLSJLL-OAHLLOKOSA-N 423.284 2.939 0 50 HFAA CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)c3n[nH]c4ccc(O)cc34)cc2)C1 1875350070 ZNSLDQQMUDQANX-INIZCTEOSA-N 407.474 2.687 0 50 HFAA Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2cccc3ccccc23)n(C)c1=O 640980 OQAPAZLSQNEDJK-UHFFFAOYSA-N 415.453 2.840 0 50 HFAA biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccccc1 944720 ZFMHRZGFAOKHNN-GTVARFKMSA-N 408.454 2.547 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cc(C(F)(F)F)ccc1Cl 1161543 WMLAXIAOUIBMMW-UHFFFAOYSA-N 421.828 2.836 0 50 HFAA O=C(O)c1ccc(C(=O)Nc2ccc(I)cc2)c(C(=O)O)c1 1205227 FQHZSXMMCDBASL-UHFFFAOYSA-N 411.151 2.940 0 50 HFAA CCCOc1ccc(NC(=O)c2cc(=O)n(C)/c(=N/C)s2)cc1Br 2825546 JASMMUFPHXUNLM-VLGSPTGOSA-N 412.309 2.781 0 50 HFAA CCOC(=O)c1c(C)n(C[C@H](O)CN(C)C)c2cc(Br)c(OC)cc12 2941341 VQLRVXZDJJOJTH-GFCCVEGCSA-N 413.312 2.820 0 50 HFAA O=C(CC12CC3CC(C1)CC(CC(=O)NC1=NCCS1)(C3)C2)NC1=NCCS1 4196756 OPCRJOCIJHIFDC-UHFFFAOYSA-N 420.604 2.791 0 50 HFAA CCOC(=O)c1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2)o1 4649507 DNUXEMXYGOKQHT-INIZCTEOSA-N 404.488 2.624 0 50 HFAA CCOC(=O)C1CCN(Cc2cc(I)c(O)c(OC)c2)CC1 4987583 WALFCHXJMVQWKP-UHFFFAOYSA-N 419.259 2.781 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)CC2=O)cc1 4998871 WRCLSWZSHHUBLZ-GOSISDBHSA-N 406.486 2.620 0 50 HFAA O=C1CCCN1CC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11817250 YBULKTMNROFCBO-KRWDZBQOSA-N 405.489 2.648 0 50 HFAA COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1OC 12002289 WIGBQCSKSQIMNQ-UHFFFAOYSA-N 418.515 2.742 0 50 HFAA COCc1c(C(=O)NCc2ccncc2)cnn1-c1nccc(-c2ccccc2F)n1 12248167 BHOYKKUWHQESKV-UHFFFAOYSA-N 418.432 2.940 0 50 HFAA COc1cccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c1OC 12456105 DUBQAFBJGGQUSD-SFHVURJKSA-N 415.538 2.878 0 50 HFAA CCCn1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c(C)n1 15073861 DSBMDDHQCVFXLS-KRWDZBQOSA-N 400.527 2.610 0 50 HFAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1CCCCC1 17987778 UHFYMMXKRQMGCO-MYNGYRLFSA-N 400.478 2.891 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3csc(C(C)=O)c3)CC2)CC1 19795077 DBSKAAJIINGGPE-UHFFFAOYSA-N 405.564 2.747 0 50 HFAA CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCC[C@@H]1O 72437021 SENDCFQKZWPBNH-IRXDYDNUSA-N 414.593 2.691 0 50 HFAA CC(=O)NCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1nc2ccccc2n1C 95517360 KIQOSUIBYJHCFC-QFIPXVFZSA-N 401.470 2.665 0 50 HFAA CCCN1CCN(c2ccc(NC(=O)CCSCC(=O)OC)c(OCC)c2)CC1 170606081 QDKXZQDUIDAUCT-UHFFFAOYSA-N 423.579 2.852 0 50 HFAA CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCCc3ccccc32)C1=O 239475459 AOMCVDDLOIGOSI-RDPSFJRHSA-N 420.513 2.884 0 50 HFAA O=C(c1ccccn1)N1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@H](O)C1 243902120 BGGRDVABWMFTJO-TZMCWYRMSA-N 400.788 2.836 0 50 HFAA C[C@H](NC(=O)CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C 252497335 QDYOUUWZYRYOQN-YOEHRIQHSA-N 405.458 2.860 0 50 HFAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 253425503 OKXYEVFRFBZABR-OAHLLOKOSA-N 420.441 2.796 0 50 HFAA C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 328604271 JECYIJIIHKJQSN-JKSUJKDBSA-N 416.547 2.528 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1sc2[nH]cnc(=O)c2c1C 409414731 VTOAFDGYVUMYFC-JKSUJKDBSA-N 418.563 2.646 0 50 HFAA biogenic C[C@H](C(=O)N(C)CC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)n1cccn1 448278987 QNSGBVGXOMPFIS-CYBMUJFWSA-N 420.395 2.746 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCN(c3ccccc3O)CC2)(c2ccccc2)CC1 1294871768 FDFDSNGQWPAORE-UHFFFAOYSA-N 419.525 2.787 0 50 HFAA Cc1cccc(N(CC(=O)N(C)Cc2cccc(-n3cccn3)c2)S(C)(=O)=O)c1 1506409380 PCUJFJFQKBIICH-UHFFFAOYSA-N 412.515 2.605 0 50 HFAA Cc1cc(CN2CC3(CCN(C(=O)c4cc(C)oc4C)CC3)OCCC2=O)on1 1857713570 QHAHASMGZIPBEV-UHFFFAOYSA-N 401.463 2.617 0 50 HFAA CCc1nn(C)c(Cl)c1CN1CCCCNC(=O)C[C@@H]2CCCCN2CCC1 2100533458 PWSYPDLTNSUDTQ-KRWDZBQOSA-N 410.006 2.983 0 50 HFAA C[C@@](CO)(CN=c1cc(NC[C@@](C)(CO)c2ccccc2)nc[nH]1)c1ccccc1 2325725127 ZCFWGUMQGJTBNL-ZEQRLZLVSA-N 406.530 2.623 0 50 HFAA Cc1cc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)ccc1Br 1057744 CVWVQINIQWKNPP-UHFFFAOYSA-N 403.342 2.926 0 50 HFAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCN2CCC[C@@H]2C1 2771123 AXLNGJKWOCQWFB-GFCCVEGCSA-N 405.380 2.928 0 50 HFAA CCOC(=O)N1CCC(N2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)CC1 11966160 QYARWSYBBSVGRT-JOCHJYFZSA-N 411.502 2.979 0 50 HFAA O=C1CC[C@@H](CN(Cc2ccccc2)C(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)N1 11966465 LJPSIFSUMMRBIH-CYFREDJKSA-N 423.513 2.559 0 50 HFAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 12002586 XHTZSKUFURAFIM-UHFFFAOYSA-N 412.511 2.983 0 50 HFAA CC(C)N(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12596123 PUSLJYALRPVTQL-UHFFFAOYSA-N 421.461 2.619 0 50 HFAA CC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O 13712718 RSSASGCNSCHMNX-MRXNPFEDSA-N 421.906 2.870 0 50 HFAA COc1ccc(CNCC2(C)COC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 14956012 HYBYEILTVBMBHD-OAQYLSRUSA-N 414.546 2.693 0 50 HFAA COc1cccc(CN2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c1 22914398 BTEPSUPNWBXNCC-NRFANRHFSA-N 406.530 2.950 0 50 HFAA CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)cc1 55226653 BKCFYLRZHNFYIH-UHFFFAOYSA-N 405.564 2.908 0 50 HFAA COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2sc(C)nc2C)s1 170606271 VNIKVHUAOBXYHP-JTQLQIEISA-N 403.551 2.759 0 50 HFAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(N4C(=O)[C@@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)C(=O)[C@H]21 239386651 PVRUUSQHGDWMAH-CWWLTCFXSA-N 404.466 2.924 0 50 HFAA COc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 253429603 NWHIDQOYMDDNIC-XYJFISCASA-N 405.539 2.935 0 50 HFAA CCOCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)CC1 440423675 CVRGSBZNYCXWQM-UHFFFAOYSA-N 404.492 2.649 0 50 HFAA CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 763821224 UTQZQIWEQVAIAX-UHFFFAOYSA-N 408.520 2.992 0 50 HFAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1csc(-c2cnccn2)n1 827848554 YFFHZUCHACOGNJ-UHFFFAOYSA-N 402.863 2.884 0 50 HFAA O=C1CCc2c1cccc2C(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857712680 LVPLLZMDHGNNHH-LGVFNWMJSA-N 402.450 2.730 0 50 HFAA NC(=O)c1ccccc1NCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 1875259613 KCOYQCLDAQLGBY-UHFFFAOYSA-N 421.497 2.823 0 50 HFAA Brc1cccc(-n2nc(-c3nc[nH]n3)nc2[C@@H]2CCn3ccnc3C2)c1 1875348774 CGAGDQYXUTYOIW-LLVKDONJSA-N 411.267 2.741 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCc1cn2ccccc2n1 1940196162 OZJCFXXCEAPCRG-UHFFFAOYSA-N 402.454 2.585 0 50 HFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1c(C)nc3sccn13)CC2 2325876193 MNYSKZIXGXCKTJ-AWEZNQCLSA-N 415.471 2.936 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 2356148787 RVTGICVCQNAOKF-UHFFFAOYSA-N 419.481 2.646 0 50 HFAA Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 719167 JWKKNRYGIOXQRG-UHFFFAOYSA-N 403.417 2.790 0 50 HFAA CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 839907 ZQBWDBAHWRVLTM-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1/C=C/c1ccccc1 4713719 VIDXMUZHQADPFJ-ARPZMXOOSA-N 406.463 2.666 0 50 HFAA CC(=O)c1cc(CC(=O)N2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cs1 11815515 AOMULEOICGVRRR-GOSISDBHSA-N 406.548 2.807 0 50 HFAA COc1cccc(CN2C[C@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)c1 11998691 OGVWPONAVGXVBQ-HXUWFJFHSA-N 422.525 2.944 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 12298438 KGSIPHUYPVTXOT-GOSISDBHSA-N 400.523 2.880 0 50 HFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3c(Cl)cccc3C2)cc1 12429371 SPMCHFSWQXCTQU-NRFANRHFSA-N 411.933 2.924 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12430280 GJJWYPZXPFCRFZ-QGZVFWFLSA-N 407.522 2.660 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 13856428 ZDAQZGTVPDAYAN-QGZVFWFLSA-N 403.841 2.757 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCc1cccc(Cl)c1)C2 14746165 IXDSJUSOEXWGOU-KRWDZBQOSA-N 418.994 2.952 0 50 HFAA COc1ccc(-c2cc3nc(C)cc(NCCCN4CCOCC4)n3n2)cc1OC 15670894 PEGYBBHOHIETSB-UHFFFAOYSA-N 411.506 2.856 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(F)c(Cl)c1 19349894 MLZSMMFMAQJXBA-KRWDZBQOSA-N 403.841 2.639 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1F 67629387 PIDCPXQKJMOVAJ-KRWDZBQOSA-N 406.479 2.701 0 50 HFAA COc1cc(C(=O)NCc2c(C)noc2C)ccc1OC1CCN(C(C)=O)CC1 95499416 ZPWGNOLKSPGDHR-UHFFFAOYSA-N 401.463 2.620 0 50 HFAA COc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 100129864 JQENMSXIAJLCTB-FQEVSTJZSA-N 413.905 2.798 0 50 HFAA O=c1nc2n(nc1-c1ccccc1)[C@@]1(CCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 170620168 SPIGRQDEPKQJEE-LJQANCHMSA-N 414.874 2.523 0 50 HFAA CN(C)Cc1cc(NC(=O)Cc2csc(N3CCCNC3=O)n2)ccc1Cl 225623657 KBZNFVZZGVRCBU-UHFFFAOYSA-N 407.927 2.959 0 50 HFAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 239173686 OLFWTICWGBOYEC-DPDCMNJDSA-N 400.500 2.981 0 50 HFAA Cc1nc(CC(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)c(C)s1 328605250 MWCQAZZFLOAGFO-MRXNPFEDSA-N 403.552 2.567 0 50 HFAA CC[C@H](CNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1 476084324 NWVKSZBRMZJNEB-OKZBNKHCSA-N 413.522 2.834 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 479583142 WFPBQMBAIUREJX-UHFFFAOYSA-N 407.398 2.997 0 50 HFAA O=C1CCN(C(=O)c2sccc2F)CCN(c2nc3cc(F)ccc3o2)CCN1 952881269 QTUOTIDGZMVBNZ-UHFFFAOYSA-N 420.441 2.636 0 50 HFAA O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccn(CCN2CCNC2=O)n1 1475987083 IJQNOHBKPZIWSA-UHFFFAOYSA-N 424.461 2.862 0 50 HFAA CCN1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)N3CCc4ccccc4C3)C[C@@H]2C1 1857681704 CQRPLGJOKWKSOG-CQOQZXRMSA-N 403.526 2.865 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(Cn2cccn2)CC1 1940195083 LLWUWWUOIWRSRD-UHFFFAOYSA-N 406.486 2.713 0 50 HFAA O=C(Cc1c[nH]nc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356136171 JBEQGKBJXBPEPN-ZFMNYDKASA-N 412.509 2.741 0 50 HFAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ncc(F)cc2F)CCCN1 2356161944 QQSHXFRPUJWQIH-IBGZPJMESA-N 416.472 2.823 0 50 HFAA CNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1115783 SGBPSPBXFTXRCB-UHFFFAOYSA-N 415.515 2.782 0 50 HFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 1131770 CIAANKBJUHTRBN-WQRHYEAKSA-N 414.458 2.978 0 50 HFAA CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 2851758 PCAOZYHNUWQQRX-UHFFFAOYSA-N 423.922 2.885 0 50 HFAA CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 4180684 CODCUTHESBBQAB-LJQANCHMSA-N 423.513 2.507 0 50 HFAA COc1ccc(NC(=S)Nc2ccc(N3CCOCC3)c3nonc23)cc1OC 5042032 AFMJMUZOGKDZHZ-UHFFFAOYSA-N 415.475 2.886 0 50 HFAA CN(C)CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 5508965 FGCLUATUBWHYMC-UHFFFAOYSA-N 409.939 2.603 0 50 HFAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 12385575 LWCLZEQGZDGNON-QFIPXVFZSA-N 406.530 2.882 0 50 HFAA Cn1nccc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12754873 ULHOUNPRTJNBFS-HSZRJFAPSA-N 422.573 2.921 0 50 HFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 15074062 JCGUSNZDBCEYEI-FQEVSTJZSA-N 419.876 2.886 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CC4)s3)CC2)cc1 16623730 KUALBAZQSSTAHP-UHFFFAOYSA-N 406.533 2.763 0 50 HFAA CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1 20917613 MZIIYQDGIHWUPQ-UHFFFAOYSA-N 418.545 2.860 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 21795222 JQCSJXIZPKEDHS-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)ncn2)n1 67603993 OZNQMLFXMKFYAD-UHFFFAOYSA-N 413.432 2.911 0 50 HFAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)N[C@H](C)C3CC3)c2=O)cc1 77406048 GXLKYCXVHAHNHD-MRXNPFEDSA-N 406.486 2.548 0 50 HFAA COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](c3cccc(F)c3)C2)s1 170606280 RNRUZDFRWOLOHJ-AWEZNQCLSA-N 412.508 2.964 0 50 HFAA Cc1nn(C(C)C)c(C)c1NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 170625629 FIXPGPOEOCWSAM-SFHVURJKSA-N 411.506 2.963 0 50 HFAA C[C@@H]1CC[S@@](=O)CCN1c1ncnc2ccc(I)cc12 241961307 URHZEGMIWWXVMM-CFMSYZGJSA-N 401.273 2.582 0 50 HFAA NC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)C1 247707774 GIAUZXRYCJMIFS-AEFFLSMTSA-N 420.469 2.901 0 50 HFAA C[C@@H]1Cc2ccccc2N1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 252452935 PKZLWXRDMNRLGO-WBVHZDCISA-N 404.557 2.715 0 50 HFAA COC(=O)C[C@@H](c1ccc(Br)s1)c1c(O)ncc(C(=O)OC)c1O 252482943 DQWCFXYFZUUBSJ-ZETCQYMHSA-N 416.249 2.798 0 50 HFAA C[C@H](N[C@@H](CO)c1ccccc1F)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 253396879 VKHUFDWODBUPNP-NDXORKPFSA-N 402.466 2.875 0 50 HFAA COC(=O)c1ccc(CN2CCN(C(=O)c3ccccc3C(C)=O)CCC2=O)cc1 299783068 XOZPPNXRVMSPLE-UHFFFAOYSA-N 408.454 2.551 0 50 HFAA NC(=O)[C@@H]1CCCN(CCCNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)C1 670456507 MEUATNGNOCQQKC-OAQYLSRUSA-N 406.530 2.524 0 50 HFAA C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)[C@@H](O)c1ccc(F)cc1 771665158 MGHMKNZTOUJUIM-UNAUEFFGSA-N 419.497 2.501 0 50 HFAA Cc1cccc2cc(C(=O)N3CCCN(S(=O)(=O)N4CCCCC4)CC3)oc12 952966331 WCHCKXVOFOSODU-UHFFFAOYSA-N 405.520 2.620 0 50 HFAA O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCN(C2CCS(=O)(=O)CC2)CC1 952976916 VKZWTKZASLJBHK-UHFFFAOYSA-N 408.608 2.751 0 50 HFAA Cn1ncc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)c1Cc1ccccc1 1470437838 REVJZIXKTRWJDN-GOSISDBHSA-N 403.442 2.534 0 50 HFAA O=C1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccc(F)cc1 1506410022 QQXODTJNOAUIPF-HSZRJFAPSA-N 411.521 2.761 0 50 HFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C1 1506422306 AAKBKFMAMSXSMN-KRWDZBQOSA-N 402.516 2.882 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 655170 CEGARXSXIDEBQQ-UHFFFAOYSA-N 404.488 2.885 0 50 HFAA COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 1154074 XICXRIXCDPLJHO-UHFFFAOYSA-N 404.850 2.839 0 50 HFAA O=C(c1cc(Br)cs1)N1CCN(S(=O)(=O)c2cccs2)CC1 2731586 FQMVXJMDEDXOLH-UHFFFAOYSA-N 421.363 2.719 0 50 HFAA O=C(O)c1ccccc1NS(=O)(=O)c1ccc(I)cc1 4757062 PLJIQKJMJAHNRG-UHFFFAOYSA-N 403.197 2.790 0 50 HFAA in-vitro CCOc1ccccc1CNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839715 JCPYLTYIFXXRDI-UHFFFAOYSA-N 411.483 2.703 0 50 HFAA COc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)cc1 12579501 IIEGZWLNOYKYMG-FQEVSTJZSA-N 410.514 2.844 0 50 HFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](N(C)Cc1cc(C)no1)CC2 14534601 FCVUIGJFDPZNAB-GOSISDBHSA-N 407.518 2.771 0 50 HFAA CCc1c(C(=O)NCc2cn(C)nc2C)c(=O)cc(C)n1Cc1ccccc1OC 14956907 RAQIJSKROBOVDH-UHFFFAOYSA-N 408.502 2.748 0 50 HFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(Cc2ccccc2)s1 44916766 FLOHDOYMIZENIO-UHFFFAOYSA-N 403.467 2.991 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@@H]4C2=O)cc1C 77522687 OGQOMYVOJQWGSX-OUMCCJGNSA-N 417.509 2.639 0 50 HFAA COc1ccccc1CC(=O)NCc1nnc2cc(-c3nc(C(C)C)no3)ccn12 169749821 SMIPODJINDFJSY-UHFFFAOYSA-N 406.446 2.770 0 50 HFAA CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758540 IQEZHDATBVKAQC-FQEVSTJZSA-N 410.518 2.779 0 50 HFAA C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H](CO)O1 170605400 OJCARWMCSSMDHJ-WBMJQRKESA-N 407.264 2.858 0 50 HFAA O=S(=O)(Nc1nccc(-n2nnc3ccccc32)n1)c1cc(F)ccc1Cl 225465562 AOKQEKPCFKTMLN-UHFFFAOYSA-N 404.814 2.804 0 50 HFAA COc1cccc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)cc3C2)c1OC 263618906 WCABHMPVMDVRRL-UHFFFAOYSA-N 405.454 2.507 0 50 HFAA CCOc1ccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1C(=O)O 727720269 XABYQIYSMWQCCU-UHFFFAOYSA-N 424.450 2.560 0 50 HFAA Cc1nc(N2CC[C@H](CO)C2)c2c(n1)C1(CC2)CCN(c2ncc(Cl)cn2)CC1 1857703497 SDCQTBISYXUTPZ-HNNXBMFYSA-N 414.941 2.531 0 50 HFAA Cc1csc(CCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)C2SCCCS2)n1 1875345638 DRGOLHFNRQUFAV-KGLIPLIRSA-N 413.634 2.981 0 50 HFAA O=C(C[C@@H]1CNc2ccc(Br)cc21)N[C@H]1C(=O)NCc2ccccc21 2325860579 LXVHFQUTHBHXQC-KZULUSFZSA-N 400.276 2.836 0 50 HFAA O=C(CSc1nnnn1-c1ccccc1)NCCOC12CC3CC(CC(C3)C1)C2 4580232 KJMQLIQPLQBCNG-UHFFFAOYSA-N 413.547 2.856 0 50 HFAA CC[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ncccn2)CC1 4748945 YQTULJRKOAHBSA-INIZCTEOSA-N 405.296 2.745 0 50 HFAA CCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl 4754966 FCUNFAXNQCWNES-LBPRGKRZSA-N 412.726 2.982 0 50 HFAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 12386615 XUJIETYOGRJKRI-INIZCTEOSA-N 414.524 2.585 0 50 HFAA COCC(=O)N(Cc1ccc(OC2Cc3ccccc3C2)cc1)[C@H]1CCCCNC1=O 12508546 CLWHJXYELVXUKV-QHCPKHFHSA-N 422.525 2.877 0 50 HFAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 14747057 YSEJIRROXLIJCW-KRWDZBQOSA-N 411.456 2.670 0 50 HFAA CCn1nc(C)cc1C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(OC)c3)CC[C@H]21 15003263 NCVUNMMFUIRNMS-UYAOXDASSA-N 410.518 2.987 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCc1cnn(C)c1 19840823 LNTOXGVKCJXKLP-UHFFFAOYSA-N 402.502 2.672 0 50 HFAA CCn1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)c2ccc(C)nc21 20677569 RMSAROWPPHJWNK-UHFFFAOYSA-N 406.486 2.809 0 50 HFAA O=C(c1ccc2c(c1)CCC=C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 170614520 FNPNMAVWJZKDLV-UHFFFAOYSA-N 400.475 2.932 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](CC(C)C)C(N)=O)csc2C1 426590011 QQQOARSWYFUMLD-KRWDZBQOSA-N 404.536 2.541 0 50 HFAA CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)[C@H](c2ccccc2)C1 775999345 ASGLQZJMGBURED-SFHVURJKSA-N 400.433 2.752 0 50 HFAA C[C@@H](O)c1cn(C2CN(Cc3ncc(-c4cccc(Br)c4)[nH]3)C2)nn1 779614989 YCWSIGHOKJBQPC-LLVKDONJSA-N 403.284 2.541 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCN(c3cncc(F)c3)CC2)(c2ccccc2)CC1 1776004193 MOJVXOXPBLPFFU-UHFFFAOYSA-N 422.504 2.616 0 50 HFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3C=C[C@H](C)[C@@H](C(=O)OCC)[C@@H]3C2)c1C 1857667199 WOWMTGMKLOUKNJ-KKBVYLPWSA-N 402.491 2.882 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cn1 1857668433 IPQUMCJYJQVOKF-HSZRJFAPSA-N 417.469 2.768 0 50 HFAA COC1(C(=O)N[C@@H](C)c2ncsc2C)CCN(c2ncnc3[nH]ccc23)CC1 1857707517 BITLFYDWKKNVPC-LBPRGKRZSA-N 400.508 2.586 0 50 HFAA O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 2325828248 BXEOBKARRLECMT-LJQANCHMSA-N 424.432 2.923 0 50 HFAA C[C@H](Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1)C(=O)NC1CCCCC1 4414055 GYDPAHZIRBDYEU-INIZCTEOSA-N 417.531 2.776 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697951 HCWRRFSCJIVWKI-UHFFFAOYSA-N 404.474 2.515 0 50 HFAA CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CCC)n2C[C@@H]2CCCO2)n[nH]1 11819061 QLTIXPHEELGKTG-IBGZPJMESA-N 423.583 2.553 0 50 HFAA CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2ccc(C)n2)C3)n1 12048965 JFLNIOYAECCJDV-OAHLLOKOSA-N 413.478 2.629 0 50 HFAA CC[C@H](C)CN1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 12099179 YDNHWLQREYOTIU-SFHVURJKSA-N 423.557 2.960 0 50 HFAA Cc1ncc(CN2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)s1 12205742 CIQQTVBJDBYNJT-UHFFFAOYSA-N 413.591 2.839 0 50 HFAA CN(CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 12304032 DDKMBSRDGDPANP-HXUWFJFHSA-N 410.543 2.957 0 50 HFAA C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccccc1)CC2)c1ccccc1 20856572 COHVNLPDDGYVIS-SFHVURJKSA-N 404.514 2.925 0 50 HFAA Cc1cccc(CN2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CCO)n1 23372903 WKVRTPUWSIMDJP-QFIPXVFZSA-N 409.509 2.988 0 50 HFAA Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40391997 MIZQLDRIVPDDQQ-UHFFFAOYSA-N 414.400 2.938 0 50 HFAA Cn1cc(CCC(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 55358659 IVJKDZYZSAYYBX-NRFANRHFSA-N 415.969 2.819 0 50 HFAA CSc1ccc(S(=O)(=O)NCC2CCCCC2)cc1C(=O)N1CCOCC1 72441512 QOMVYZBEJXSNPR-UHFFFAOYSA-N 412.577 2.740 0 50 HFAA COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772729 VIGAYFJSCRIHDB-ZDUSSCGKSA-N 407.430 2.522 0 50 HFAA COC(=O)C[C@]1(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CCOC1 170596758 XWXGSMCQQDRPPI-XMMPIXPASA-N 424.497 2.530 0 50 HFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 170638278 NKYGDCHEYRWFFU-UAGQMJEPSA-N 406.914 2.909 0 50 HFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N[C@@H]1CCCC[C@H]1C 242346859 ZJRONSZKOXIAAV-AYPBNUJASA-N 423.561 2.657 0 50 HFAA Cc1ncsc1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 248056453 UQOURIQNQLPKSA-SHTZXODSSA-N 400.504 2.543 0 50 HFAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2cc3ccccc3nc2O)cc1 263587712 KIPXXEQEJVBQPR-MRXNPFEDSA-N 418.453 2.564 0 50 HFAA Cc1cc(C)n2c(CNC[C@@H]3CC(=O)N(C(C)(C)C)[C@H]3c3cnn(C)c3)cnc2n1 328602539 BZWFFJQBAOURGJ-OXJNMPFZSA-N 409.538 2.558 0 50 HFAA O=C1CCCc2c1cc(C(=O)Nc1cnn3c1NCCC3)c(=O)n2-c1ccccc1 1506421406 GIMYUBDUVKATAB-UHFFFAOYSA-N 403.442 2.621 0 50 HFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)C[C@@H]21 1704314647 VUERXOOKKDRMEB-FHSNZYRGSA-N 403.928 2.919 0 50 HFAA COc1ccccc1-c1ccc(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)cc1 1704337040 RDKWMTWYPWTFKT-XZOQPEGZSA-N 410.514 2.754 0 50 HFAA O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccccn1 1121274 LXJQOINABBPHEU-UHFFFAOYSA-N 423.538 2.852 0 50 HFAA COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl 3137344 QPWSZHDZGHMWLV-NSHDSACASA-N 416.689 2.542 0 50 HFAA Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCc1ccncc1 6704641 KTLFQBYWHFRBLB-UHFFFAOYSA-N 402.497 2.701 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 11816908 BGGNVEFAJWGBKQ-QGZVFWFLSA-N 408.506 2.925 0 50 HFAA Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)NCCO)nn3)CC2)c1 12245128 NRSFZZICRVATPP-UHFFFAOYSA-N 419.529 2.813 0 50 HFAA Cc1noc(C)c1CC(=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1 14532271 JZVYARIOQXMJSB-HXUWFJFHSA-N 411.502 2.500 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CCN(C(=O)c1cnsn1)C2 14976879 WCSYJHNZLLMTRS-BQYQJAHWSA-N 419.510 2.770 0 50 HFAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)c(OC)c1C 20725899 YHGCSAVGACJNGR-SFHVURJKSA-N 413.522 2.677 0 50 HFAA CS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(O)CCCCCC2)c1 170633137 HGTASJXJYFWGKT-UHFFFAOYSA-N 404.326 2.668 0 50 HFAA Cc1nc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)sc1C 252536721 JHCKIZJXCQKLPH-MRXNPFEDSA-N 411.487 2.937 0 50 HFAA COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Oc1c(C)nn(C)c1C 741740955 YZBLIKYUVLGDPU-UHFFFAOYSA-N 421.519 2.829 0 50 HFAA CC1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2)CC1 785271449 BMMRITUGUIOHGY-SFHVURJKSA-N 415.534 2.863 0 50 HFAA COCC(=O)Nc1ccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1C 952973685 OUSFUKMDSKRPET-UHFFFAOYSA-N 402.447 2.787 0 50 HFAA O=C(CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1)Nc1nncs1 952980013 VOXRSUFDPTUIJI-AWEZNQCLSA-N 412.475 2.713 0 50 HFAA CCCc1nc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cs1 1857732845 KBOLSFFFXHXOIF-ICSRJNTNSA-N 417.579 2.897 0 50 HFAA C[C@@H]1CC2(CO1)CC(NC(=O)C(=O)NC[C@H](C)c1ccc(Br)cc1)C2 1875330766 ZHLIDYMGLLJVQB-WSRJCAJASA-N 409.324 2.743 0 50 HFAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc(OC)c1OC 1078673 SKEQTXZATFWVMB-UHFFFAOYSA-N 408.476 2.651 0 50 HFAA CC(C)(C)SCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 2989321 BWZKXVMAKHZYDB-UHFFFAOYSA-N 423.398 2.863 0 50 HFAA COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 3401639 SPZCRAXBQJUUBY-UHFFFAOYSA-N 410.499 2.894 0 50 HFAA Cn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1 4810774 WJWXRWLJFQDKJR-UHFFFAOYSA-N 413.478 2.658 0 50 HFAA Cc1cc(C(=O)NCc2nnc3n2CCN(C/C=C/c2ccccc2)CC3)c(C)o1 12048183 IOFWCJMTSQJWSZ-RMKNXTFCSA-N 405.502 2.989 0 50 HFAA COc1ccccc1[C@H](C)N(C)C(=O)CCCn1nnnc1CN1CCC(C)CC1 12387575 IVGOKDREFWRBKT-SFHVURJKSA-N 414.554 2.913 0 50 HFAA CC(C)CN1C[C@@H](C(=O)NC[C@@H]2CCCO2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14532738 RHFAKRAIGLMDOD-QKLQHJQFSA-N 405.514 2.654 0 50 HFAA CCC(CC)CN1CCc2c(C(=O)OC)c(OC[C@H]3CCCCO3)cc(=O)n2CC1 14879667 QMZZILMWZLIKQN-GOSISDBHSA-N 420.550 2.877 0 50 HFAA COc1cccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 23373253 XSUJAURLEZYGPU-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA O=S(=O)(NC[C@@H]1CCCN(Cc2nccs2)C1)c1cccc2cccnc12 55183091 WVPCCAKIWKWNMR-HNNXBMFYSA-N 402.545 2.882 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)c1O 170597712 GTCUGTSPZGCISW-UHFFFAOYSA-N 417.483 2.778 0 50 HFAA COCCn1cc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 225421086 FLJVMOLOJULZJK-MJGOQNOKSA-N 405.498 2.638 0 50 HFAA biogenic Cc1cc(C)c2c(N3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)ncnc2n1 1857735467 OZHOLCRXHCMCBF-OALUTQOASA-N 403.486 2.648 0 50 HFAA O=C(c1occc1-c1ccccc1)N1CCN(C(=O)[C@H]2CC[C@@]3(CCOC3)O2)CC1 2325827431 FTMVDMYXYDWLHN-XXBNENTESA-N 410.470 2.569 0 50 HFAA Cc1cccc(-c2cc(=NC(=O)Cc3csc(S[C@H](C)C(N)=O)n3)[nH][nH]2)c1C 2325851544 BTNFJGQAIURWKC-GFCCVEGCSA-N 415.544 2.719 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(c2ccc(C(=O)N3CCOCC3)cn2)CC1 2356140766 PNYYYNVBVCVEOG-UHFFFAOYSA-N 423.513 2.631 0 50 HFAA Cn1cnc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 2356143317 CNKKEHVEGYVVEJ-OAQYLSRUSA-N 409.515 2.546 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356164715 DJICYHOIVWOOQT-JBYIUTFZSA-N 403.523 2.511 0 50 HFAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)cc1 1144773 ZNIICSYKPBFBSI-UHFFFAOYSA-N 407.444 2.606 0 50 HFAA Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 11869478 HIZKWWSOKIZBNV-KRWDZBQOSA-N 422.533 2.599 0 50 HFAA Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 12159544 OVLXPXQTYLWFQR-IBGZPJMESA-N 402.520 2.853 0 50 HFAA C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCOCC1 12380531 OPKGAKLBEVPFAW-INIZCTEOSA-N 409.511 2.784 0 50 HFAA CN(C)CCNC(=O)c1ccc(OC2CCN([C@H]3CCSC3)CC2)c(Cl)c1 12595767 JHKVMOTWXKPYIC-INIZCTEOSA-N 411.999 2.980 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 19810544 HKFNTKFCOAUOFV-JOCHJYFZSA-N 421.497 2.742 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)CN1Cc1ccc(F)c(F)c1 55358926 WYMSMVQSDQSCTB-BEFAXECRSA-N 404.413 2.519 0 50 HFAA CCc1ccccc1OC1CN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)C1 67867098 WIXSLMAOLTTZBL-VWLOTQADSA-N 408.542 2.908 0 50 HFAA Cc1cccc(OCC(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1 169777444 HFRYSEHYBCJNJB-UHFFFAOYSA-N 408.462 2.756 0 50 HFAA COc1cc(C)c(S(=O)(=O)Nc2ccccc2CN2CCC[C@H]2C(N)=O)cc1C 225695146 HDMCTFZEGWECOH-SFHVURJKSA-N 417.531 2.563 0 50 HFAA CCOC(=O)c1ncc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)s1 225800587 WNGYAFOPLFIJKS-UHFFFAOYSA-N 402.520 2.710 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cc(OC)ccc1OC 242183869 XCQAOXHUZMZQBH-OALUTQOASA-N 404.507 2.785 0 50 HFAA Cc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cs1 299792066 FICDOVBETDHCBZ-FQEVSTJZSA-N 419.522 2.861 0 50 HFAA OCCOc1cncc(NCC2(c3cccc(Br)c3)CCOCC2)n1 302438269 MPINQRYJYMUPKS-UHFFFAOYSA-N 408.296 2.771 0 50 HFAA COc1cccc(OC)c1[S@@](=O)Cc1nnnn1-c1ccccc1Br 471836437 QFDNXAJXHLKIOS-VWLOTQADSA-N 423.292 2.750 0 50 HFAA C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 770205265 JORHFOFWEYATLD-HNNXBMFYSA-N 412.515 2.873 0 50 HFAA Cc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)c2c(O)nc(=O)n(C)c2n1 825124893 HEFSRYYNRMBKEI-INIZCTEOSA-N 418.453 2.888 0 50 HFAA C[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2ccccc2C1=O 637089 GEMVBIFRYLFRDH-SNVBAGLBSA-N 420.206 2.914 0 50 HFAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1 1066231 MJNFTNIUCYDIQS-UHFFFAOYSA-N 415.405 2.917 0 50 HFAA COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1 1491485 FJHHZXWJVIEFGJ-UHFFFAOYSA-N 424.442 2.706 0 50 HFAA investigational CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2556558 NNOBHAOOLCEJBL-OALUTQOASA-N 412.486 2.935 0 50 HFAA in-vitro O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1cccs1 2694893 PZPKQZLUAITCNH-UHFFFAOYSA-N 409.514 2.631 0 50 HFAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC[C@H](C(=O)OCC)C1 11871760 IZZIYQVZEQKUTD-INIZCTEOSA-N 415.490 2.833 0 50 HFAA COc1ccc(CNCC(C)(C)CO)cc1OC[C@H](O)CN(C)Cc1ccccc1 11879588 SXBGUTOUCKLHNR-OAQYLSRUSA-N 416.562 2.675 0 50 HFAA O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)NCc1cnn(-c2ccccc2)n1 12036344 LRUXOTXCVPQUBT-QHCPKHFHSA-N 403.486 2.555 0 50 HFAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccnn3C)c2)s1 12053691 YRPWVFZOMPFRDA-MRXNPFEDSA-N 410.503 2.880 0 50 HFAA COc1ccc(OC)c(CC(=O)NCc2nnc(SC)n2Cc2ccccc2)c1 12279020 UPZDEIFDYVMYMF-UHFFFAOYSA-N 412.515 2.924 0 50 HFAA O=C(CCC1CCN(Cc2cnn(-c3ccccc3F)c2)CC1)N1CCOCC1 12597583 NJUABDJATGPSJB-UHFFFAOYSA-N 400.498 2.862 0 50 HFAA O=c1nc2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2nc1Cc1ccccc1 13552327 TXGVWVHAEYVZEG-CXUHLZMHSA-N 416.289 2.957 0 50 HFAA CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 14994423 XGNCZXYNUBFPRS-INIZCTEOSA-N 409.490 2.819 0 50 HFAA CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(Br)c(OC)cc12 19204515 MNEFLFFSUUKWMU-UHFFFAOYSA-N 411.296 2.958 0 50 HFAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1=O 71388663 GFOMAJNXVPGWTB-GOSISDBHSA-N 402.422 2.569 0 50 HFAA CCc1n[nH]c2c1CN(C(=O)CCCc1nc3cccnc3n1[C@@H](C)COC)CC2 77471384 KWXZWSATUVYJRI-HNNXBMFYSA-N 410.522 2.832 0 50 HFAA O=C(NCCc1ccccn1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263619185 XIZXZJVFSSIKQA-UHFFFAOYSA-N 401.466 2.975 0 50 HFAA CCC[C@]1(C2CCN([C@@H]3CCSC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299786924 UQBYJXLKFMZZMR-DENIHFKCSA-N 416.591 2.932 0 50 HFAA O=C1N[C@H](C(=O)NCCN2Cc3ccccc3O[C@H](c3ccsc3)C2)CS1 299788651 YZQIKAFTPWWGKE-RDJZCZTQSA-N 403.529 2.625 0 50 HFAA O=C(NCc1nc(-c2cccnc2)no1)c1ccc2sc3c(c2c1)CCNC3=O 670440746 DSZDCXRJQVNDIJ-UHFFFAOYSA-N 405.439 2.562 0 50 HFAA Cc1cccc(-c2noc(CCCC(=O)NCc3nc(-c4ccncc4)n[nH]3)n2)c1 828026341 NYJJMEWAVVCBCW-UHFFFAOYSA-N 403.446 2.864 0 50 HFAA OCCNc1cc(N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)ncn1 1704335308 MWMFQYMBESUDTM-QHCPKHFHSA-N 402.502 2.822 0 50 HFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)c3cccc4c3OCCO4)CC1)OCC2 1857705432 HQWGYBPKSYJBQW-UHFFFAOYSA-N 415.467 2.922 0 50 HFAA O=C(CN1Cc2ccccc2C1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857727185 MQMPVPRVYPXSBZ-DEOSSOPVSA-N 404.514 2.882 0 50 HFAA O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cnnc(O)c1 1875342723 DXZVIMZOVKDSOI-UHFFFAOYSA-N 420.834 2.594 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2CCn1c(=O)oc2ccccc21 2356169151 MURGVPJIFUITGE-QHCPKHFHSA-N 406.486 2.647 0 50 HFAA Nc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC(=O)Nc1ccc(F)cc1 937015 SECRMXGVDNUSIE-UHFFFAOYSA-N 418.429 2.508 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1 1057919 ZOYSFMJTYSDFNN-IBGZPJMESA-N 408.545 2.672 0 50 HFAA CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 1516858 VGGKQKWTCCJEPN-JOCHJYFZSA-N 414.458 2.644 0 50 HFAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)c(C)n1 2802110 NCQHMHLQWVMBPW-ZDUSSCGKSA-N 412.462 2.529 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NC1CCCC1 2877033 JCJHOWMQZXZIJG-UHFFFAOYSA-N 400.928 2.952 0 50 HFAA Cn1nc(C(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)ccc1=O 11661034 IVMAZKWGJFQRBP-QGZVFWFLSA-N 401.466 2.767 0 50 HFAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 12410798 WBLYGNHLJMADMW-UHFFFAOYSA-N 413.861 2.851 0 50 HFAA CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc(Cl)c1)S(C)(=O)=O 13686079 WEOLFZOKFLJBBT-MRXNPFEDSA-N 409.895 2.622 0 50 HFAA CC(C)Cn1cc(C(=O)NCc2cccnc2)c(=O)c(C(=O)NC2CCCCC2)c1 14995813 WOPUJRHOKZGYPQ-UHFFFAOYSA-N 410.518 2.892 0 50 HFAA Cc1cc(N2CCN(CCO)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 20547510 RJODNVIWCVBCGL-UHFFFAOYSA-N 405.424 2.838 0 50 HFAA COc1cccc(CN2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)c1 20995310 VFONBSLQACUBKW-QHCPKHFHSA-N 406.530 2.950 0 50 HFAA CC(C)Cn1c(CN2CCC[C@@H](OCc3cccnc3)C2)cnc1S(C)(=O)=O 55098791 AHEHKNUHHJIDBQ-LJQANCHMSA-N 406.552 2.519 0 50 HFAA CCCCN1CCN([C@H](C(=O)NCc2ccc(C)s2)c2ccccc2)C(=O)C1=O 77337444 AXJPFRBZMCHILZ-IBGZPJMESA-N 413.543 2.885 0 50 HFAA CCC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 77345022 MVIGIQWZJQXPTH-SFHVURJKSA-N 416.518 2.534 0 50 HFAA COCc1noc(CN2CCC3(CC2)CN(C[C@H](C)c2ccccc2)C(=O)O3)n1 77520248 NRNATKYDFOQHEJ-INIZCTEOSA-N 400.479 2.807 0 50 HFAA COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c12 252695346 YQLALHSFKFCTEI-SHTZXODSSA-N 401.459 2.968 0 50 HFAA biogenic Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 1506418087 OOXPGSFDKLZWTG-MRVPVSSYSA-N 409.411 2.561 0 50 HFAA O=C(c1cn(CC(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)c2ccccc12)C1CC1 1704279442 IOKGGYQHCOVNLG-VGOFRKELSA-N 403.482 2.691 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CN(C(=O)c3ccncc3)C[C@@]2(CO)C1 1772809655 ZNKAASTWQUTQQO-IERDGZPVSA-N 414.893 2.642 0 50 HFAA OCCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(c2cnccn2)CC1 1857684921 KFOGAUJHMIJVEB-UHFFFAOYSA-N 416.529 2.634 0 50 HFAA O=C(NCC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1)c1cc(Cl)ccc1Cl 2356153984 CRHXQFXXWBWZPP-LJQANCHMSA-N 407.301 2.953 0 50 HFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1OC 894944 HVIMPSAVGIWBBB-SFHVURJKSA-N 406.232 2.879 0 50 HFAA biogenic Cc1ccc(CN(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1 1093261 LJBHSBBIIJVIHF-UHFFFAOYSA-N 409.511 2.897 0 50 HFAA CCn1ncc(NC(=O)[C@H](C)n2ncc(Cl)c2C)c1C(=O)Nc1cnn(C)c1C 2800141 VMKDKPFUEBSPIH-LBPRGKRZSA-N 418.889 2.555 0 50 HFAA CCOC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1Cl 4594282 VJALGEGOWBCNKV-CQSZACIVSA-N 411.892 2.927 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 4698526 ADVNQDACVRUXPK-LJQANCHMSA-N 414.889 2.964 0 50 HFAA Cc1ccc(NC(=O)N[C@H]2[C@H](NC(=O)Nc3ccc(C)cc3)N(C)C(=O)N2C)cc1 4992094 INZMCHDDKRYNMZ-QZTJIDSGSA-N 410.478 2.896 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)o1 11818157 ZZJRZCDQGZVWCT-FQEVSTJZSA-N 417.550 2.508 0 50 HFAA CCCN1CCN(C(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)CC1 14985183 VHXJETCIGKGQIF-OAHLLOKOSA-N 403.552 2.758 0 50 HFAA O=S(=O)(CC1CC1)c1ncc(CN2CCN3CCC[C@@H]3C2)n1CC1CCCCC1 20783791 NEFQJXUKVRDJNB-HXUWFJFHSA-N 420.623 2.927 0 50 HFAA CS(=O)(=O)N1CCC(NC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 55309033 JUGKABYKSYKFNV-FQEVSTJZSA-N 404.507 2.888 0 50 HFAA CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)Nc1ccccc1O)C(C)C 170593722 YWYRNJDHARWZRP-FQEVSTJZSA-N 414.458 2.727 0 50 HFAA CCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1/C=C/Nc1ccc(Cl)cc1 226075829 VDSKSYXUJCRNAW-MDZDMXLPSA-N 414.849 2.545 0 50 HFAA CCOC(=O)C1CCC(NC(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)CC1 488538898 DNTMGODFNZDAIO-CWZMJNCASA-N 402.491 2.635 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc2cc(F)ccc2[nH]1 670473380 XAZAGHQRPRQSFA-NZAVSEOKSA-N 404.489 2.604 0 50 HFAA CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc1C 952966149 VRHPCDPLMLQAHP-FQEVSTJZSA-N 415.578 2.843 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3C)C2)cc1 952983026 ZHJKZXHWEZJEQH-QGZVFWFLSA-N 402.516 2.834 0 50 HFAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H]1COC[C@H]1Cc1ccncc1 1529104389 OTNLEKSWYRLZAL-SJLPKXTDSA-N 400.500 2.709 0 50 HFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 1857674598 PIJIUQDGDSHOAF-NOXFTYBFSA-N 400.519 2.699 0 50 HFAA CO[C@H]1C[C@@H](C(=O)NCc2ccccc2Cl)CC[C@@H]1NC(=O)c1cccnc1 1857690451 DEJPEMCBZSIGME-JVPBZIDWSA-N 401.894 2.965 0 50 HFAA O=C(COC(=O)c1ccc(-n2ccnc2O)cc1)NCCc1nc2ccccc2s1 2325875637 YIBVQPUDCYPIFC-UHFFFAOYSA-N 422.466 2.703 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c2cccc(=O)n21 2356141977 YLTAAWVIHUSEHA-SCTDSRPQSA-N 414.527 2.932 0 50 HFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1064714 XIJPQMFYFWFYIX-UHFFFAOYSA-N 419.890 2.923 0 50 HFAA O=C(O)CCCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1 1839637 TVMSYAZJWTWJBQ-GOSISDBHSA-N 403.442 2.686 0 50 HFAA COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccncc3)o2)CC1 9189689 FVWODLRMQFWJJE-UHFFFAOYSA-N 411.487 2.581 0 50 HFAA O=C(COc1ccc(N2CCCC2)nn1)NCc1csc(-c2cccs2)n1 14994656 DYACNYKKVJNKNA-UHFFFAOYSA-N 401.517 2.957 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1ccc2c(c1)OCO2 15068927 JZMYQBSMQGCOIT-SFHVURJKSA-N 409.486 2.809 0 50 HFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 19143724 KCDHGXGGGZZKIQ-GOSISDBHSA-N 415.607 2.732 0 50 HFAA CN(Cc1ccccc1)C1(CNC(=O)CCCn2cncn2)Cc2ccccc2C1 19534925 IXHHCDIBMWYGRL-UHFFFAOYSA-N 403.530 2.844 0 50 HFAA COCc1nn2c(nnc3c(=O)n(C[C@H]4CCCO4)ccc32)c1-c1ccc(F)cc1 40392308 QRSSFXBSFRSYMS-OAHLLOKOSA-N 409.421 2.571 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55271042 DTJALEAKQGJYNJ-SFHVURJKSA-N 400.498 2.786 0 50 HFAA COCCn1c(CN2CCCC[C@H]2c2ccccn2)cnc1S(=O)(=O)CC1CC1 55283374 QIGZMUZFSXNCGT-FQEVSTJZSA-N 418.563 2.835 0 50 HFAA COC(=O)c1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)cc1 55568734 QBKLPJATJVSXBT-UHFFFAOYSA-N 410.449 2.908 0 50 HFAA CCNc1cc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc(C)n1 67603581 CYGBJHXGGWTMAP-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@H]1O 72437374 FDQNMRHLFKQKNC-BRWVUGGUSA-N 414.593 2.691 0 50 HFAA CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 170636536 FVLRNGPGMMRJAP-XJKSGUPXSA-N 412.870 2.947 0 50 HFAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ncnc2[nH]cnc12 222048546 RHHHULLVJSEFIL-YUYUZEJFSA-N 403.870 2.801 0 50 HFAA CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)NCCS(=O)(=O)C(C)(C)C 253417579 AZCQONJGAVASKV-CQSZACIVSA-N 404.573 2.742 0 50 HFAA Cc1ccc(Cc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1C 951726931 QRZXSXVEMSKKQO-OAHLLOKOSA-N 405.549 2.532 0 50 HFAA CCS(=O)(=O)N1CCN(C(=O)[C@@](C)(Nc2ccccc2)c2ccccc2)CC1 952972568 HEVQPZJHLVDESC-NRFANRHFSA-N 401.532 2.508 0 50 HFAA CCc1c(C)nn(C)c1NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1529155723 ZKJGARDAKGWQFS-UHFFFAOYSA-N 414.506 2.799 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)N3CCC[C@]4(CCC[C@H]4O)C3)CC2)c1 1704300371 UIRFFLJZWHFAKS-NFBKMPQASA-N 400.519 2.701 0 50 HFAA CC(C)Nc1ncc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cn1 1857709903 XJPSUJSFYBRCRL-JOCHJYFZSA-N 408.506 2.790 0 50 HFAA COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 857903 XCHYFAYSKQELPC-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 4198959 JRLYYSDNZAXLAW-KRWDZBQOSA-N 410.474 2.890 0 50 HFAA CC(=O)c1cccc(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 5041597 NVHUELJFQOTELJ-UHFFFAOYSA-N 403.460 2.554 0 50 HFAA CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 6490169 ILTWEKZMISJMBQ-CXMPNGEBSA-N 402.495 2.651 0 50 HFAA Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CCn3c(C)nc4ccccc43)C2)no1 11665348 CPVQEZGCLGCKDH-KRWDZBQOSA-N 409.490 2.700 0 50 HFAA O=C(NCCn1ccnc1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12301750 JRNAPHFJFOKYPK-IBGZPJMESA-N 416.529 2.862 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)CC1 19835728 WBZPKMDWPKCNFW-DEOSSOPVSA-N 411.594 2.614 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860853 WLHNHXGMRQEJDU-INIZCTEOSA-N 407.923 2.593 0 50 HFAA CCCCOC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77287162 UQDMCFPPBIWCBZ-UHFFFAOYSA-N 410.521 2.942 0 50 HFAA C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 116785830 YQTDNBMNJIMTOJ-OAHLLOKOSA-N 411.568 2.974 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170593793 QVGNNPYQHRKFLA-DAYGRLMNSA-N 408.332 2.519 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1 206253411 MCWOCPXQUCPDKL-GOSISDBHSA-N 406.442 2.636 0 50 HFAA O=C(c1ccc(F)cc1)c1cccnc1NS(=O)(=O)c1ccc2c(c1)OCO2 328594105 PYGNEHDTKJECMI-UHFFFAOYSA-N 400.387 2.981 0 50 HFAA CCc1nc(-c2ccc(C(=O)N3CCS(=O)(=O)C4(CCCCC4)C3)cc2)n[nH]1 433073511 BKXNIDZFIOXOKV-UHFFFAOYSA-N 402.520 2.608 0 50 HFAA Cn1nnc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)n1 1352502052 WKYOBFTWDWVGMD-UHFFFAOYSA-N 401.352 2.879 0 50 HFAA COc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 1529142035 XOEMRSSUIXDZSO-UHFFFAOYSA-N 402.882 2.937 0 50 HFAA O=C([C@@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1sccc12 1704303409 IVQQAHCIAKYZEI-OAHLLOKOSA-N 412.511 2.897 0 50 HFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 2325819879 STTNQQQIOFNPPN-GOEBONIOSA-N 404.463 2.549 0 50 HFAA COCCN(Cc1nccs1)C(=O)c1cc2c(s1)CCOC21CCNCC1 2356140897 RCVBOVWKGFLCQQ-UHFFFAOYSA-N 407.561 2.645 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3n[nH]c4c3CCCC4)C1)CC2 2356157089 DNZYTCJWAYMMAK-QHCPKHFHSA-N 408.550 2.584 0 50 HFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(-n3cccn3)ccc2C)C1=O 2356169080 UMGFAYLBXQBMRA-NRFANRHFSA-N 416.547 2.736 0 50 HFAA C[C@H]1CCc2c(sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 944918 JICOCVNVGBZBMB-NSHDSACASA-N 411.483 2.597 0 50 HFAA O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1ccccc1Cl 1062531 ZBMJYOROOSHJJD-UHFFFAOYSA-N 401.875 2.883 0 50 HFAA O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 1071919 CRNBDQSFKBOACI-UHFFFAOYSA-N 401.225 2.704 0 50 HFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1ncn(Cc2c(Cl)cccc2Cl)n1 2804100 FFMKWYZYXUZHDA-UHFFFAOYSA-N 401.279 2.774 0 50 HFAA CCc1nn2c(=O)cc(N3CCN(c4cc(C)nc5ccccc45)CC3)nc2s1 4178351 YEUSJJGGEJOJAD-UHFFFAOYSA-N 406.515 2.897 0 50 HFAA COC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1cc(C)ccc1C 4810285 SKWOMJSSELJLJR-MRXNPFEDSA-N 408.380 3.000 0 50 HFAA Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc5cccnc45)CC3)O2)n1 11871221 PHKCQXKERNLLIE-HXUWFJFHSA-N 419.529 2.912 0 50 HFAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCN2CCCO2)C1 11879701 HFFXPCATYJOJOJ-JOCHJYFZSA-N 404.507 2.655 0 50 HFAA C[C@@H](Cc1cnccn1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12588134 NGZRNGJZGFECIT-INIZCTEOSA-N 408.502 2.617 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1nccs1)CC2 14542393 NGMSGUWYRAWDHW-UHFFFAOYSA-N 410.543 2.929 0 50 HFAA COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20109794 UTSVKARJDSUYDS-SFHVURJKSA-N 406.910 2.919 0 50 HFAA Cc1cc(C)nc(CNC(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)n1 20201567 JYGCDJRIQYYJMM-UHFFFAOYSA-N 408.502 2.803 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCN2CCOCC2)C1)NCc1ccccc1Cl 20537633 NBTBCZYNVRDSTN-GOSISDBHSA-N 421.969 2.697 0 50 HFAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 39478844 IPSCPIRTSVKSFN-OAQYLSRUSA-N 424.545 2.998 0 50 HFAA COCCCNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91757613 XCIBHMUDBSVYSB-QGZVFWFLSA-N 400.523 2.661 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc2c(c1)CCC2 169752556 CHJVKEDKWGTVSZ-UHFFFAOYSA-N 414.465 2.783 0 50 HFAA CC(C)n1c(CNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 169772692 YZCFDRVDPWAVKV-GOSISDBHSA-N 419.485 2.764 0 50 HFAA CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(O)c1OC 252499459 SAYXMNFPGONHKZ-KRWDZBQOSA-N 417.487 2.860 0 50 HFAA O=S(=O)(c1ccccc1)[C@H]1[C@H]2C3CC4[C@H]2[C@H]4[C@H]3[C@@H]1S(=O)(=O)c1ccccc1 257358396 TZPCLZUPDDCCKU-ACOMJQJQSA-N 400.521 2.813 0 50 HFAA COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)nn3C)C2)cc1 299799252 RRNAKGZILMCGQP-UXHICEINSA-N 410.518 2.642 0 50 HFAA COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)Nc1ccc(NC(C)=O)cc1 470035250 ZHYMIZOKMGNYPC-IBGZPJMESA-N 423.391 2.847 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCCC(=O)c1ccccc1 1148028197 BBGMQFVNTGWJCZ-QGZVFWFLSA-N 403.504 2.851 0 50 HFAA COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1Cl 1529145528 BPRHZCZUMWZXGI-JTQLQIEISA-N 406.895 2.821 0 50 HFAA O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@@]2(CO)C1 1772806591 HNYUGAQXMWHWRD-GCJKJVERSA-N 417.912 2.760 0 50 HFAA Cc1ccnn1CCN1C[C@@H]2[C@H](CNC(=O)[C@H]3CC[C@H](C)CC3)[C@H]3CC[C@]2(C1)O3 1857720961 SGMQANGJUZSDMM-LWBWKANWSA-N 400.567 2.613 0 50 HFAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3ccc4ccn(C)c4c3)C[C@H]2CO1 1875244544 UGLSXDGRMLSOCE-AABGKKOBSA-N 407.518 2.534 0 50 HFAA O=C(OC[C@@H]1Cc2cc(Br)ccc2O1)c1ccc2c(c1)CCS2(=O)=O 1875322977 QFVPRLVRCLSJLL-HNNXBMFYSA-N 423.284 2.939 0 50 HFAA Cc1cccc(-n2cc(S(=O)(=O)NC(=O)c3ccc([C@H]4CCOC4)cc3)cn2)c1 1875343825 VYHVKDQKLKOLHP-SFHVURJKSA-N 411.483 2.803 0 50 HFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)ccc1F 623370 UUJIPQJOIHXZJK-GFCCVEGCSA-N 404.179 2.621 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 784620 MWTQSMIPRKXFTL-INIZCTEOSA-N 416.499 2.806 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 2597595 UYRFCBZILYXXIW-HEHGZKQESA-N 416.377 2.566 0 50 HFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1 5030354 AFTIIMWVIJVLMN-IBGZPJMESA-N 416.430 2.861 0 50 HFAA O=C([C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccccc1F)N1CCOCC1 11839936 JMCYUNMJEBZAAM-MJGOQNOKSA-N 401.507 2.815 0 50 HFAA Cc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12441694 NJGFNODPPLIJRT-HXUWFJFHSA-N 421.545 2.766 0 50 HFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2ccccn2)c1=O 12452823 JKBNFHROOQSAQU-UHFFFAOYSA-N 412.534 2.648 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 14541089 UOWLCUITRYTDKO-QGZVFWFLSA-N 402.539 2.878 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)NC[C@H]4CCS(=O)(=O)C4)cc3o2)cc1 14974767 KJMJEIBDTLKTPP-OAHLLOKOSA-N 414.483 2.592 0 50 HFAA Cc1cc(C)nc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 18116011 HFVXNRINUXJUCC-FHWLQOOXSA-N 406.486 2.818 0 50 HFAA CCn1nc(C)c([C@@H](C)NCc2ccc(OCC(=O)N3CCOCC3)cc2)c1C 55244954 IIEDIYLTFIIGIH-MRXNPFEDSA-N 400.523 2.608 0 50 HFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(Cc2ccccc2)CC1 61717866 QJIOIALUWNLVIW-UHFFFAOYSA-N 422.916 2.908 0 50 HFAA Cc1cc(C)nc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 100879597 HFVXNRINUXJUCC-CEXWTWQISA-N 406.486 2.818 0 50 HFAA COc1ccccc1CNC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 253535904 VKAHSVXIKJUBDJ-LJQANCHMSA-N 420.469 2.550 0 50 HFAA CC1CCN([C@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)c2ccccc2)CC1 302572334 PYESAPCCFAEXAD-HXUWFJFHSA-N 408.550 2.640 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@H](c3cccnc3)N3CCOCC3)cc2)CC1 823764792 GGVQEEDALCSBHJ-QFIPXVFZSA-N 410.518 2.567 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 886025649 PSSPRTLFMBOPFD-RBUKOAKNSA-N 420.444 2.941 0 50 HFAA COc1ccccc1-c1ncc(CNC(=O)CCC(=O)Nc2nncs2)s1 952868271 IAUQHOVWGBPQKV-UHFFFAOYSA-N 403.489 2.705 0 50 HFAA COc1cccc(-c2nc(CCn3ccc4oc(=O)cc(C)c4c3=O)no2)c1OC 1772491392 VBMZAKBQQVRFDA-UHFFFAOYSA-N 409.398 2.573 0 50 HFAA Cc1cc(Br)ccc1N1C[C@H](C(=O)NC2CCC(C(=O)O)CC2)CC1=O 1857531223 RHVWFPCSENIKLG-JVWICGRDSA-N 423.307 2.870 0 50 HFAA CCCOc1ccccc1CCNC(=O)[C@H]1CC(=O)N(c2nnc(CC)s2)C1 1857723252 ZPIYMUHDMWNSQS-HNNXBMFYSA-N 402.520 2.601 0 50 HFAA O=C(NCCc1ccccc1F)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857727054 JDQGTHJHXOOYAU-QGZVFWFLSA-N 424.501 2.980 0 50 HFAA O=C1C[C@H]2CCCCN2CCCCN(C(=O)c2scc3c2OCCO3)CCCN1 2100533209 FZMBKECEYDZSDX-MRXNPFEDSA-N 421.563 2.506 0 50 HFAA CC(C)(CN1CCOCC1)CN1CCC2(CC1)OCCc1sc(C(=O)O)cc12 2356155120 XSLHDOMTMNWIQR-UHFFFAOYSA-N 408.564 2.669 0 50 HFAA CCOC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 6697494 DXJHQKJJAAHYHW-UHFFFAOYSA-N 416.499 2.903 0 50 HFAA COc1ccc(CNCC(C)(C)CO)cc1OC[C@@H](O)CN(C)Cc1ccccc1 11879587 SXBGUTOUCKLHNR-NRFANRHFSA-N 416.562 2.675 0 50 HFAA CCc1ccc(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 11912099 XJYONBIREJKFBH-UXHICEINSA-N 414.575 2.577 0 50 HFAA COc1ccc(OCC(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc1 12300532 HBUMZHOCZMOHDV-INIZCTEOSA-N 400.450 2.882 0 50 HFAA COc1ccc(NC(=O)CCC2CCN(C(=O)C3=C(C)OCCO3)CC2)c(OC)c1 12586313 MHWUBIDJXPZXOM-UHFFFAOYSA-N 418.490 2.939 0 50 HFAA COc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 19943498 JTIIEDAWCWQKHS-UHFFFAOYSA-N 418.515 2.547 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)o1 55060968 WDGATSASSRKTDR-SFHVURJKSA-N 423.435 2.956 0 50 HFAA COCCN(C)CCN1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)OC1=O 72426144 RNXJXLRXFLRCDJ-UHFFFAOYSA-N 413.921 2.844 0 50 HFAA CN1CCN([C@H]2CCN(Cc3c(Cl)cncc3Cl)C[C@H]2CCCO)CC1 95368706 WJBFBEFPHOHEAP-BEFAXECRSA-N 401.382 2.599 0 50 HFAA COc1cc(CN2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)cc(OC)c1 104357413 GXQGVOXPEDOAAZ-LJQANCHMSA-N 414.502 2.501 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2cn[nH]n2)c2ccccc2)cc1 215762389 OHQANUJVXNZCKQ-KRWDZBQOSA-N 417.516 2.575 0 50 HFAA NN/C=N/CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 222962454 DUNCGRXIYPWCRV-FQEVSTJZSA-N 410.474 2.640 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239038529 DJNCQJOYNJLCIF-CMOJMIBCSA-N 422.481 2.632 0 50 HFAA CC(C)/C=C/C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1cccc(N2CCNC2=O)c1 299791639 HFFOZCKLCXCNQO-GHOSXJJBSA-N 410.518 2.996 0 50 HFAA CC(=O)Nc1ccc2nc(CN3CCN(c4ccc5nccn5n4)CC3)ccc2c1 820592968 QHWXXTDMTMFSCS-UHFFFAOYSA-N 401.474 2.558 0 50 HFAA Nc1nc(CCCNC(=O)c2ccc3c(c2)nc(O)n3[C@H]2CC[C@H](O)CC2)cs1 828865643 ZBBLTMDWTORMQL-SHTZXODSSA-N 415.519 2.619 0 50 HFAA OC1CCN(c2cc(N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)ncn2)CC1 1704299888 UJASGUNIHIAJRR-UTKZUKDTSA-N 405.502 2.656 0 50 HFAA COC1(C(=O)N[C@H]2CCCc3ccccc32)CCN(C(=O)C2CCOCC2)CC1 1857731758 ZLRBHJWFRFOYSF-FQEVSTJZSA-N 400.519 2.614 0 50 HFAA COCCN=c1[nH]c(C2CC2)nc2c1CC[C@]21CCCN(Cc2c(C)noc2C)C1 1875245241 QWBFUVNDWNXDCJ-QHCPKHFHSA-N 411.550 2.919 0 50 HFAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CC(c2ccncc2)=NO1 1875262404 HVJJNTHEJMBIJB-KBXCAEBGSA-N 402.401 2.571 0 50 HFAA C[C@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)n1cc(-c2cnc3ccccc3c2)nn1 1875351628 CQMYBVZKAYZXCB-CQSZACIVSA-N 409.457 2.866 0 50 HFAA O=C(O)c1cn([C@@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)CC2)nn1 2325870958 WOEQALOLZCBXGJ-OAHLLOKOSA-N 400.460 2.545 0 50 HFAA O=C(NCCc1noc(C2CCCC2)n1)c1cc2c(s1)CCOC21CCNCC1 2356153118 SCRCDIJGLDATDL-UHFFFAOYSA-N 416.547 2.913 0 50 HFAA CN(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)S(C)(=O)=O 665526 LFGPXZJFRLHNEL-UHFFFAOYSA-N 419.322 2.646 0 50 HFAA CN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O 682133 DGYIXMUSCOUTJZ-UHFFFAOYSA-N 407.923 2.698 0 50 HFAA Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ccc(CC(=O)O)cc4)cc3C2=O)no1 4813771 UHFHHFYNQWOLKB-UHFFFAOYSA-N 405.366 2.663 0 50 HFAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 6746593 VKAPOSJXFWDFDX-UHFFFAOYSA-N 408.549 2.986 0 50 HFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCc2ccncc2)c1 11821404 PTPCWHIJTZKOBG-UHFFFAOYSA-N 423.513 2.843 0 50 HFAA COCCCn1c(CN(C)[C@@H](C)c2nc(C)sc2C)cnc1S(C)(=O)=O 12298775 DXTQQSQZMNEKKJ-LBPRGKRZSA-N 400.570 2.589 0 50 HFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14748331 FNWAZQKJXKTEAF-IBGZPJMESA-N 422.529 2.916 0 50 HFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccccc2C)C1 14962601 GRFKFTMKPMRYFH-IBGZPJMESA-N 410.514 2.980 0 50 HFAA COC(=O)[C@@H](NC(=O)[C@H]1CCCN1c1nc(C)c2ccccc2n1)c1ccccc1 14986879 IMQHIRVQIJUSPV-UXHICEINSA-N 404.470 2.938 0 50 HFAA COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCC2 17091411 WCOGOBWHPKGLTR-UHFFFAOYSA-N 418.471 2.928 0 50 HFAA O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 20419017 JZNVWORYNPPJSO-UHFFFAOYSA-N 413.543 2.828 0 50 HFAA in-vitro CCN1CCN(CC(=O)N[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)CC1 39421037 QCZIJXAQAUVFCU-QHCPKHFHSA-N 400.611 2.603 0 50 HFAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc[nH]n1)C2)c1ccccc1 77459999 QKQCDMAJUKPGCJ-HNNXBMFYSA-N 410.499 2.648 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)NCc2ccccc2)CC1 95527730 HWMBCWHHUXCALQ-NRFANRHFSA-N 400.567 2.989 0 50 HFAA O=C(CCCOc1cccc2ccccc12)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 170591860 FRXXYFMJJDTDCA-PGRDOPGGSA-N 417.527 2.851 0 50 HFAA CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)CC1 170611699 WCNBIQOMNNLGFQ-PGRDOPGGSA-N 424.607 2.574 0 50 HFAA COc1ccc(CN2CCN(S(=O)(=O)c3c(F)ccnc3Cl)CC2)cc1F 225549760 RPVGUYDYESQAEH-UHFFFAOYSA-N 417.865 2.528 0 50 HFAA O=C(O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 238021499 LNIDSXGZZRZTSR-UHFFFAOYSA-N 412.408 2.881 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCO[C@H](c2ccccc2)C1 252522862 BICHRCLCXAJEDH-UXHICEINSA-N 407.470 2.692 0 50 HFAA O=C(Nc1nc2cnccc2[nH]1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 760716841 WFEJUQRYYCDYEL-SNVBAGLBSA-N 400.236 2.712 0 50 HFAA CCCOc1ccc(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 952981165 MAIVCDQHSDAYGL-MRXNPFEDSA-N 414.955 2.966 0 50 HFAA COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)Cc1cccc2ccccc12 1293297742 UEUNBUXRFXOIGT-BDKRGJGYSA-N 422.525 2.983 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)Nc3nnc([C@H](C)OC)s3)CC2)c1 1506414680 QITVEJFSCODBGR-LBPRGKRZSA-N 404.492 2.745 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cccnc2)CC1 1857703274 PCBZIOXGVIEJEG-QFIPXVFZSA-N 413.493 2.534 0 50 HFAA COc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1OCc1ccc(F)cc1 1857716504 BFMBLTGHFKPDOM-GGAORHGYSA-N 412.461 2.946 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 944718 ZFMHRZGFAOKHNN-LYPXWFNGSA-N 408.454 2.547 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1 2268873 NFVCMNMUGFFMTG-GTVARFKMSA-N 408.479 2.700 0 50 HFAA O=C(CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)OCc1ccccc1 4891610 YUNAGWUIVNCORG-NBVRZTHBSA-N 408.410 2.893 0 50 HFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCC(=O)N(Cc2ccccn2)C1 11934059 HVRHSDDKNGOXPS-INIZCTEOSA-N 407.449 2.666 0 50 HFAA CCS(=O)(=O)c1ncc(CN(CCO)Cc2ccccc2)n1Cc1ccccc1 12317354 GVOXFFMDQGRGIA-UHFFFAOYSA-N 413.543 2.720 0 50 HFAA O=C(CCC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1)NCc1cccc(Cl)c1 12713340 FVBHXXABDIGXPN-GOSISDBHSA-N 405.926 2.644 0 50 HFAA CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccco1)CC2 14958457 QUDITHMXPZQSRL-IBGZPJMESA-N 408.506 2.842 0 50 HFAA O=C(O)COCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 44124313 PJXMZYYAPKARJF-OAQYLSRUSA-N 402.878 2.675 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CC[C@@H](CO)C1 67896450 YVPCETRNDJQUJJ-QGZVFWFLSA-N 406.530 2.690 0 50 HFAA Cc1cnc(CNC(=O)C[C@@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)cn1 71759114 PBDQVNPFOHJDLV-XMMPIXPASA-N 400.482 2.948 0 50 HFAA COc1ccccc1COC(=O)C1=CN(Cc2ccccc2)S(=O)(=O)N=C1C 169755164 YWHBVWFPLQRHJV-UHFFFAOYSA-N 400.456 2.844 0 50 HFAA CCOC(=O)c1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCC4)cc1 169778263 MSTTYNIHRNUXQV-UHFFFAOYSA-N 408.458 2.658 0 50 HFAA C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@@H]2CCCC2=O)cc1 223213188 JDZDHQJHNYHAKL-BEFAXECRSA-N 414.527 2.666 0 50 HFAA CC(C)C[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn12 223243407 JJGCDDXYHRSCIU-MRXNPFEDSA-N 422.514 2.918 0 50 HFAA C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)Cc1cccs1 743655747 CFYPKTLHFGJPRW-SUMDDJOVSA-N 402.516 2.815 0 50 HFAA CSc1nn2c(=O)cc(CN(C)Cc3cc(-c4cccs4)n[nH]3)nc2s1 1506404336 ZRFKVRUWWWGTFK-UHFFFAOYSA-N 404.546 2.957 0 50 HFAA FC(F)(F)c1nnc(N2CCN(C3CCN(Cc4ccco4)CC3)CC2)s1 1506416989 ZVYANNFQDWMOMH-UHFFFAOYSA-N 401.458 2.937 0 50 HFAA Cc1cc(Cl)cc(C(=O)N2C[C@H](O)[C@@H](NC(=O)c3c(F)ccc(C)c3F)C2)c1 1857530964 HXYNOGZRBZFFLV-HOTGVXAUSA-N 408.832 2.850 0 50 HFAA CC(C)(C)OC(=O)Cn1cc(Br)cc(I)c1=O 1875391537 XLHLNNSXWNHBNL-UHFFFAOYSA-N 414.037 2.557 0 50 HFAA CC[C@H]1CN(C/C=C/CN2C[C@@H](CC)O[C@@]3(CCCOC3)C2)C[C@@]2(CCCOC2)O1 2325742636 CEXGUVBNEWQHSY-UXUHROMRSA-N 422.610 2.863 0 50 HFAA Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C1)CO2 2325793955 MLENVCXSPOPENN-WYUXQXBMSA-N 412.530 2.606 0 50 HFAA CN(C(=O)c1n[nH]cc1Cl)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 2325839122 JHXJPRPVFKKQHN-NUJGCVRESA-N 416.909 2.526 0 50 HFAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccc(OC(F)(F)F)c2)C1=O 2356144180 LXYXTVIXLUNWPG-SFHVURJKSA-N 400.397 2.829 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(F)ccc2OCCN)CC1 2356145326 LHYMVPSCFAJGCK-UHFFFAOYSA-N 414.477 2.876 0 50 HFAA COC(=O)c1c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCC2 815239 VYARVHXWEUOOJL-UHFFFAOYSA-N 407.402 2.959 0 50 HFAA O=S(=O)(NC(=S)c1ccccc1)c1ccc(I)cc1 1505244 JMMVEYULKFORKN-UHFFFAOYSA-N 403.266 2.945 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC 2475971 DIYHXZHGSOIZNF-AWEZNQCLSA-N 415.309 2.822 0 50 HFAA O=C1CCCN1CCC1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 4196497 HEAYDAUBAJWWFS-GOSISDBHSA-N 403.910 2.696 0 50 HFAA COc1ccc2c(c1)CC[C@@H](C)N2S(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 7991441 GZUBFRUKQBOUMJ-PBHICJAKSA-N 400.500 2.829 0 50 HFAA C[C@H](C(=O)N1CCC([C@@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1 11969704 VGZVFRHOKBIADE-UPCLLVRISA-N 423.488 2.989 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccccc3OC)on2)C1 12057620 JPECNICWKSZCBC-INIZCTEOSA-N 415.490 2.983 0 50 HFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 12073639 JCPTUVBOKCVQKB-KRWDZBQOSA-N 421.453 2.784 0 50 HFAA COCCNC(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O 12247553 BZROISZCADWGFX-UHFFFAOYSA-N 405.498 2.761 0 50 HFAA COC[C@H](O)CNC(=O)c1ccc(OC2CCN(CC(C)(C)C)CC2)c(Cl)c1 12431505 OTEYRFPXVUYLJB-MRXNPFEDSA-N 412.958 2.966 0 50 HFAA COc1cc(C[C@H](C)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ccc1O 15001827 KJTMDWVMUNTXIZ-INIZCTEOSA-N 415.538 2.646 0 50 HFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)nc1 15075941 ZLFSPPYIVKFUQI-SFHVURJKSA-N 403.486 2.604 0 50 HFAA COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 19418979 AKNNEGZIBPJZJG-ZWKOTPCHSA-N 413.426 2.882 0 50 HFAA endogenous,in-man O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NC1(c2ccccc2)CC1 20906813 ULJUBONGGKNPOJ-LJQANCHMSA-N 415.896 2.975 0 50 HFAA CC(C)N1CCN([C@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)CC1 23354146 UBFSVVRORGQCGM-NRFANRHFSA-N 421.589 2.502 0 50 HFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)C1 67689088 SKNPXCUYEAFMEU-CABCVRRESA-N 404.923 2.853 0 50 HFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1 72434157 CKBLNVXFFSLRAT-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cn1 432058650 YVYZDUYLYGZMDI-UHFFFAOYSA-N 405.398 2.697 0 50 HFAA CCn1c(=O)c2ccccc2n(CC(=O)N(CCc2cccc(F)c2)C2CC2)c1=O 733767952 PSTYCRPEVBZZMJ-UHFFFAOYSA-N 409.461 2.556 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(CN(C)C)cc2)cs1 952980337 WKYFAIMXDCHOFJ-KRWDZBQOSA-N 407.561 2.695 0 50 HFAA CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506398988 JFQXSPVEXAOIEC-INIZCTEOSA-N 417.531 2.860 0 50 HFAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3cc(Cl)ccc3OCC(=O)O)C1)CC2 1704309026 VZJJTAPTSTZEAU-HXUWFJFHSA-N 402.882 2.656 0 50 HFAA CCCc1nc(C(=O)NC2(CNC(=O)Cc3nnc(C)s3)CCCC2)cs1 1875354529 HIDQLUQSSQFOQJ-UHFFFAOYSA-N 407.565 2.657 0 50 HFAA C=CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)noc2Cl)C[C@H]1c1ccc(OC)cc1 1875383524 XKFJHXIXYBGGOE-ZWKOTPCHSA-N 417.893 2.874 0 50 HFAA C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cc(Br)cc(C(=O)O)c2)C1=O 2325827494 IAWVHBXCJMUYMM-XHDPSFHLSA-N 424.295 2.837 0 50 HFAA CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 3472810 MWVAZPGSDWKUHR-UHFFFAOYSA-N 404.488 2.667 0 50 HFAA COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)O)cc1 6624369 OTTSLIVXLRPURC-RNODOKPDSA-N 414.458 2.843 0 50 HFAA biogenic COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 7389568 KZPFAVRAGMPUNQ-UHFFFAOYSA-N 400.431 2.579 0 50 HFAA C[C@@H](CNC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)Oc1cccnc1 11818028 FVYULYFBDSCWRR-ZDUSSCGKSA-N 405.380 2.938 0 50 HFAA CC(=O)Nc1ccc(CN2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)s1 11997472 UFVPSGKSLCVZSC-FQEVSTJZSA-N 406.552 2.933 0 50 HFAA COc1ccccc1CCC(=O)N1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 12303704 DEPIBSOEIQSKHO-UHFFFAOYSA-N 415.578 2.855 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2ccn[nH]2)n1Cc1ccccc1 12306241 PYNITTSZIWFZIQ-UHFFFAOYSA-N 401.536 2.716 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCC2CCCC2)cc1C 12439623 XRYXJGNYYVJGCL-HXUWFJFHSA-N 401.551 2.781 0 50 HFAA COCCNC(=O)CCC1CCN(Cc2ccc(OC)c(Cn3cccn3)c2)CC1 12758356 DZSTVZGNUALREB-UHFFFAOYSA-N 414.550 2.695 0 50 HFAA CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCN3CCOCC3)c2c1 19792134 BJJUFVHGCKETRY-UHFFFAOYSA-N 415.490 2.722 0 50 HFAA COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1N1CCN(C)CC1 20776371 FQHQRXFDIJMBFS-OXJNMPFZSA-N 411.949 2.870 0 50 HFAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55197162 OMZACVMEUNBSAE-QFIPXVFZSA-N 406.530 2.601 0 50 HFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 67622461 CFYLZQMSVRWYSM-UHFFFAOYSA-N 413.485 2.988 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(C)cc4)ccn3n2)cc1 169775833 YFVJIXXFVBJPGX-UHFFFAOYSA-N 416.481 2.839 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@H](CN(C)C)C3)csc2C1 426684555 SSFNJOAWAXCPHN-MRXNPFEDSA-N 402.564 2.935 0 50 HFAA C[C@]1(O)CCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 483048540 YOVGWKAARBCBPI-DEOSSOPVSA-N 404.514 2.671 0 50 HFAA C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1323077552 KMWWSAWDWZRNSF-DMZKTXOQSA-N 410.449 2.709 0 50 HFAA Cc1cc(C)n2nc(C(=O)N3C[C@H](O)[C@H](Cc4ccnc5ccccc45)C3)cc2n1 1857738484 KBUBMFOGQRIHCP-UTKZUKDTSA-N 401.470 2.570 0 50 HFAA COc1ccc2[nH]cc(CCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)c2c1 1875251672 CRHIAKHTGHVRKZ-QWFCFKBJSA-N 416.547 2.561 0 50 HFAA O=C(NCC[C@@H]1COc2ccccc2O1)N1CCC[C@H](Cc2nnc3ccccn23)C1 1875261221 OFFHKXOJJKDSPA-QZTJIDSGSA-N 421.501 2.924 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356140553 MGJKSGYDMPYESC-DRSNIGMVSA-N 404.482 2.735 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(C)cc1 631413 OPHOEGXFDSYCQF-LYPXWFNGSA-N 408.479 2.700 0 50 HFAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)N1CCOCC1 810730 UCNRLAIWHVRNDK-UHFFFAOYSA-N 415.449 2.911 0 50 HFAA CC[C@@H](Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1nnc(C)s1 2801802 MRLXKTOMYQBASL-CYBMUJFWSA-N 416.532 2.792 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2873551 NQKNOZZNAVHUCD-OAHLLOKOSA-N 402.472 2.513 0 50 HFAA CCOC(=O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OCC 6458575 IVSFKGKKBTYHCJ-XDHOZWIPSA-N 424.478 2.798 0 50 HFAA CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1=O 13955731 AXGUZINBEZVGBA-JZXOWHBKSA-N 401.507 2.523 0 50 HFAA CCc1ccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)cc1 14535202 KNDKDSPJJGPSQC-UHFFFAOYSA-N 418.541 2.926 0 50 HFAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CCN2CCOCC2)C1 14980457 YOZPLCIRXVNIBZ-DEOSSOPVSA-N 416.562 2.904 0 50 HFAA CCOc1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC 19532077 CZVBMFBAIWGXHS-UHFFFAOYSA-N 404.532 2.909 0 50 HFAA COc1ccc(-c2c(C)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1OC 20546615 RITGMCAEZVMEQO-UHFFFAOYSA-N 411.506 2.774 0 50 HFAA COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 34105774 JDGNFRYDHRYXNL-BBDFNLGKSA-N 417.502 2.905 0 50 HFAA biogenic,in-vitro O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)N3CCCC3)CC2)C1 82107997 QXAUABNZCHPPBB-OAQYLSRUSA-N 412.578 2.738 0 50 HFAA COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Br)c3)C2=O)c1 225489054 RUJLLQYHRDVDCU-SFHVURJKSA-N 418.247 2.570 0 50 HFAA COc1ccccc1C(=O)N1[C@H](C(=O)NCCCn2cccn2)C[C@@H]2CCCC[C@H]21 230132674 OHTBMOCUPJNBQN-SXLOBPIMSA-N 410.518 2.872 0 50 HFAA COc1ccc(-c2ccc(CNC(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)cc2)cc1 468335885 CFDISMYUPGWCST-DEOSSOPVSA-N 406.482 2.900 0 50 HFAA CCc1noc(C)c1C(=O)N1CCN(c2cc(C)nc(-c3ccccc3O)n2)CC1 952872552 OZEQENNXZRRTCL-UHFFFAOYSA-N 407.474 2.979 0 50 HFAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc1 1506415444 YAEDFVZYEOHADS-TUNNFDKTSA-N 414.527 2.627 0 50 HFAA O=C(CC1=CSC2=NCCCN12)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529114580 QHPJRFWGWDUWRB-UZLBHIALSA-N 408.527 2.949 0 50 HFAA Cc1cc(F)ccc1CN1CCC[C@@]2(C(=O)NC3CCOCC3)CCN(C)C[C@H]12 1857679094 FVMUTDFPTLQDLM-JTHBVZDNSA-N 403.542 2.716 0 50 HFAA CC(C)(C)C(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc3ccccc3n1)CC2 1875247925 VEKAANORXSVGGF-UHFFFAOYSA-N 403.486 2.886 0 50 HFAA C[C@H]1COC[C@H]2CN(Cc3ccccc3CS(=O)(=O)c3ccccc3)CCN12 1875250079 WBCMGWUWKFDGNB-GHTZIAJQSA-N 400.544 2.565 0 50 HFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 665681 PRRFHCWWWBTVRR-CQSZACIVSA-N 421.494 2.759 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 797047 BMQDBGRRVCKWHG-UHFFFAOYSA-N 402.516 2.721 0 50 HFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 1119327 XBJDDEITPODPEZ-UHFFFAOYSA-N 420.487 2.568 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC(=O)Nc1ccc(C)cc1 5063525 IUULBVAYLJHAHQ-FQEVSTJZSA-N 409.442 2.813 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@H](C)CSC)CC2)C1=O 14744970 JBQUZMOOIDYAJW-GOSISDBHSA-N 419.591 2.726 0 50 HFAA Cc1ccccc1CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 14951693 BFDQJROWDTXANN-UHFFFAOYSA-N 407.493 2.643 0 50 HFAA COc1ccc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 19561054 NWMCSEAOPPKMDL-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCC(C(=O)O)CC1 61720641 WSIURMSQJFOLFO-UHFFFAOYSA-N 403.866 2.571 0 50 HFAA COc1ccccc1[C@H]1CNC(=O)c2nc(CC(=O)Nc3ccc(C)cc3)[nH]c2C1 65409821 AFWGCLKAUQSSOP-OAHLLOKOSA-N 404.470 2.978 0 50 HFAA COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O 115757210 LZFNDGJCEJITHC-GOSISDBHSA-N 422.485 2.813 0 50 HFAA COc1cc2nc(C)n(CC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)c2cc1OC 247957094 MPQIUTHIMAPEEY-LJQANCHMSA-N 422.485 2.871 0 50 HFAA COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(N)cnc2n1CCc1ccccc1 299759057 NBTJCCFJGJXPOY-QGZVFWFLSA-N 408.458 2.765 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)NC3(C(N)=O)CCCCC3)csc2C1 426395905 DXYPVQSTIHQIHS-UHFFFAOYSA-N 416.547 2.829 0 50 HFAA O=C(CN1CCC(N2CCCCC2=O)CC1)N[C@@H](c1ccccc1)c1nccs1 478021334 FCIYYKNUZYKLTQ-NRFANRHFSA-N 412.559 2.826 0 50 HFAA O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 480402861 HKLNJYKWPOJNTL-HXUWFJFHSA-N 424.520 2.645 0 50 HFAA O=C(NCc1nncn1-c1ccccc1)[C@@H]1CCCN1c1ncnc2sccc12 482964358 PMGVGYCPFWCNJU-INIZCTEOSA-N 405.487 2.557 0 50 HFAA O=C(C1CCN(C(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)CC1)N1CCOCC1 1506416329 VXEBWRLUOYPUMI-HSZRJFAPSA-N 422.525 2.816 0 50 HFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857674624 QHUDHDMPHZIVJK-NRFANRHFSA-N 410.861 2.877 0 50 HFAA CO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1ccc2c(c1)CCCO2 1857686418 VTIONUUVPWPFJJ-QKNQBKEWSA-N 400.519 2.938 0 50 HFAA CN(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cn1 1857730572 RSBYTOTUIPTFAG-CEXWTWQISA-N 400.910 2.745 0 50 HFAA CC(C)c1c[nH][nH]c1=NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1875356617 NHBJCUULSHVVSF-OAHLLOKOSA-N 401.536 2.845 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@]34CCCN[C@@H]3CCC4)c2c1 2325840301 WYAMZNHLONHRFW-WBVHZDCISA-N 408.287 2.991 0 50 HFAA O=C(C[C@H]1Cc2ccc(Br)cc2C1)N[C@@H](Cc1ccncc1)C(=O)O 2325877252 NDYHWOVKVLXBJU-GUYCJALGSA-N 403.276 2.761 0 50 HFAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356146507 JGDTXWAEKVQQGX-FQEVSTJZSA-N 401.898 2.575 0 50 HFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)c(OC)c1 894953 LBIBAFYAHLGEFJ-SFHVURJKSA-N 406.232 2.879 0 50 HFAA CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O 3781943 XPCFTKFZXHTYIP-PMACEKPBSA-N 424.497 2.573 0 50 HFAA biogenic,fda CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(C(=O)OC)o1 4204788 NLTFNNXKOGTGNP-CXAGYDPISA-N 407.444 2.832 0 50 HFAA CC(=O)NCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 11933237 NKIDQORPXWXTMM-QHCPKHFHSA-N 415.578 2.741 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)Nc1ccc(C(F)(F)F)cc1 11934655 KZUIDBZBNNCJLR-AWEZNQCLSA-N 424.427 2.740 0 50 HFAA Cc1ccc(C)c(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c1 14733060 CIUBJRQSROFWTB-XZOQPEGZSA-N 416.525 2.539 0 50 HFAA COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3OC)C2)cc1 15064573 BELUGSGXROAQGU-IBGZPJMESA-N 410.470 2.537 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 18123292 YJYWWSJLISLHTE-IBGZPJMESA-N 412.486 2.957 0 50 HFAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 19313574 OQBMOLNUXUAYSH-GOSISDBHSA-N 414.303 2.903 0 50 HFAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 20202037 WHXRCAVIDMNPBX-ZDUSSCGKSA-N 407.440 2.942 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc2ccccc12 55041911 PNIASGHPYNDAGP-OAQYLSRUSA-N 407.539 2.951 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)CC1 55306843 BMGOYNXHUXZZLH-ZJVMWOEPSA-N 406.530 2.917 0 50 HFAA CCN(CC)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82091839 MMCQNRVWUWONNV-OAQYLSRUSA-N 414.594 2.984 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82108532 HMCLJTOSWRRGMJ-LJQANCHMSA-N 400.567 2.837 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc1 82230450 FABODBFCIJQZRE-UHFFFAOYSA-N 406.490 2.640 0 50 HFAA COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 242106201 WHUXZCVIWYEWKZ-KRWDZBQOSA-N 402.438 2.873 0 50 HFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cnn(Cc2ccccc2Cl)c1 409414426 QNTPMUBTTNUZCW-GOSISDBHSA-N 423.860 2.664 0 50 HFAA biogenic Cc1nn(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1-c1ccccc1 444258203 RTKNRQKCNQOELJ-UHFFFAOYSA-N 401.532 2.818 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1c[nH]nc1-c1cc2ccccc2o1 444305367 ZMNWIPSBJJEPLP-UHFFFAOYSA-N 411.439 2.841 0 50 HFAA CCOc1cc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Cl 670439110 PDRJWNGPHMRMLS-ZDUSSCGKSA-N 400.928 2.808 0 50 HFAA C[C@](O)(CNC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccsc1 740908936 DOSIBVYIOHNQOP-XLIONFOSSA-N 403.504 2.573 0 50 HFAA CC(C)c1ccc(N2CC[C@@H](C(=O)OCc3cc(=O)n4ccccc4n3)C2=O)cc1 744055397 BSGNCSTTZGEPEZ-LJQANCHMSA-N 405.454 2.914 0 50 HFAA COC(=O)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)cc1 767062622 XPNMFQJFTMCEOU-GOSISDBHSA-N 406.847 2.838 0 50 HFAA Cc1cnc(CN2CCOC3(CCN(C(=O)CCCc4cccs4)CC3)C2)[nH]1 827921097 IUGISQOPAAPIGW-UHFFFAOYSA-N 402.564 2.996 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC[C@H](OCc2ccccn2)C1 952984924 YPOOYMPEVZEAIU-INIZCTEOSA-N 402.476 2.605 0 50 HFAA O=C1CCc2c1cccc2C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857730853 ZZQJPYJNQCNYDR-LEEZEASISA-N 402.450 2.730 0 50 HFAA COc1cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)ccc1C 2356147933 ZFGACSPVXUMHRB-DNVFCKCGSA-N 400.519 2.904 0 50 HFAA CCOc1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 824445 TVUUQWSYWVDUMO-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 5051013 YURCAQDCJVYENF-UHFFFAOYSA-N 416.499 2.903 0 50 HFAA Cc1ccc2cc(CN[C@H]3CCS(=O)(=O)C3)c(=O)n(CCc3ccccc3)c2c1 12051706 JAXSSBHQOZPMFC-NRFANRHFSA-N 410.539 2.829 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@@H](CNC(=O)c3n[nH]c4ccccc34)C2)CC1 12300905 PLHAHICDENHDBM-INIZCTEOSA-N 413.522 2.626 0 50 HFAA COCCN(C)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 12703784 XMHZYXMQUOVASF-OAQYLSRUSA-N 402.535 2.645 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 12713781 SDEWYLQFUJWZEI-LJQANCHMSA-N 414.506 2.600 0 50 HFAA CCn1nc(C)c(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCC3CC3)C2)c1C 14530683 VANUWWNPRBGHES-NRFANRHFSA-N 411.550 2.554 0 50 HFAA Cc1c(C(=O)NCCOC(C)C)sc2ncnc(NCCCN3CCCC3=O)c12 14987550 UXUTVJGXEXVCBU-UHFFFAOYSA-N 419.551 2.579 0 50 HFAA CCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 33326819 ZLWWQJFQZFSCGC-UHFFFAOYSA-N 410.522 2.538 0 50 HFAA O=C(O)c1c(S(=O)(=O)NCc2cccc3ccccc23)sc2c1CCNC2 67790716 UQFCWEDRWXVRMF-UHFFFAOYSA-N 402.497 2.724 0 50 HFAA O=C(Cc1ccccc1)N[C@H](O)C(Br)(Br)Br 71769933 MUZRLAFTECXJSG-SECBINFHSA-N 415.907 2.502 0 50 HFAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 77428124 IWHNCKMRSHDKQC-FQEVSTJZSA-N 414.527 2.685 0 50 HFAA COc1cccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1 91694204 KKLZYKSMLQNVCW-OAQYLSRUSA-N 402.535 2.958 0 50 HFAA CCOc1cc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)ccc1O 95497998 RJJDSQYOJNVHTH-HXUWFJFHSA-N 400.519 2.868 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777751 RGJSLJRBKGKKED-HOCLYGCPSA-N 408.462 2.837 0 50 HFAA CN(C)c1ncn(-c2cccc(NC(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)c2)n1 170609546 IGLKHTNBQNRUMO-QGZVFWFLSA-N 418.860 2.981 0 50 HFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 239403346 RVFNRVLOUHFGGZ-SSZWKKLZSA-N 401.818 2.814 0 50 HFAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(N2CCCCC2)CC1 263616839 KUUSHXFSQGDMNP-HXUWFJFHSA-N 413.497 2.779 0 50 HFAA CCn1cc(C(=O)NCc2cnn(-c3cccc(OC)c3)c2)c(=O)c2ccc(C)nc21 670457864 FWKFTBFWYSCLPW-UHFFFAOYSA-N 417.469 2.849 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(C(=O)Nc3cc(C)ccc3C)C[C@]2(CN(C)C)C1 1772811014 RTGGQZAAXPRZJD-UTKZUKDTSA-N 404.580 2.520 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CCc1ccccc1)C2 1857687430 QUPBHNVHXWNOJQ-CQOQZXRMSA-N 400.563 2.985 0 50 HFAA Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 1875308708 SNGZTCJUPJXNHU-GOSISDBHSA-N 403.483 2.969 0 50 HFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@H]2CCCc3ccnn32)c1 1875309507 AFSHJZMFIYAWCA-OAQYLSRUSA-N 403.486 2.891 0 50 HFAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)[C@H]1c1ccccc1 1940198486 ZTHIYTKPPLGXQJ-RTWAWAEBSA-N 410.449 2.695 0 50 HFAA COc1ccc([C@H](CC(=O)NCc2ccco2)c2c(O)nc3ccccn3c2=O)cc1 2049512044 PVQFZGCQWLSMFO-SFHVURJKSA-N 419.437 2.840 0 50 HFAA O=C(CCc1cccnc1C(=O)O)NCCc1ccc(I)cc1 2325874266 GGIDXCICTKGGDC-UHFFFAOYSA-N 424.238 2.676 0 50 HFAA COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C 596929 CWJNMKKMGIAGDK-UHFFFAOYSA-N 420.465 2.837 0 50 HFAA in-man Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1 1419224 AILWUYINOMCJRG-UHFFFAOYSA-N 419.508 2.999 0 50 HFAA COC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc(C(=O)N(C)C)c1C 2767319 MHVSYJVVEABRAX-UHFFFAOYSA-N 414.439 2.904 0 50 HFAA CCOc1ccccc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 2852401 LJVWQBARKHLYNS-QGZVFWFLSA-N 402.472 2.712 0 50 HFAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccc4nonc34)C2)c1OC 11878160 DPHYSPONRSCZAQ-HNNXBMFYSA-N 410.474 2.882 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 12074928 GEHYJUYOCMWAGQ-IBGZPJMESA-N 406.958 2.814 0 50 HFAA Cc1nc(CN(C)C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)cs1 12299512 PYDSRHSTGDULMJ-UHFFFAOYSA-N 410.459 2.871 0 50 HFAA COC(=O)[C@@H](NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1)c1ccccc1 12438062 RKTKOKWTPXIYSP-KRWDZBQOSA-N 402.813 2.763 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCCCC2)c(C)c1C 12458565 XCPKNWPLJIWWCS-FQEVSTJZSA-N 401.551 2.795 0 50 HFAA COC(=O)C1CCN(C(=O)CC[C@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 12572390 JVRPOPGTDWCGFH-QFIPXVFZSA-N 418.559 2.792 0 50 HFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1cccc(Cl)c1 14542623 UWEJDHRHASWXFN-BZSNNMDCSA-N 403.910 2.508 0 50 HFAA CC(C)c1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 14958394 OOVKUCMUSMVPRK-HXUWFJFHSA-N 419.595 2.706 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3cc4ccccc4n3C)CC2)CC1 20235816 PEMCBKMJJZNBPQ-UHFFFAOYSA-N 410.562 2.975 0 50 HFAA CCOC(=O)C1CCN(C(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)CC1 20614413 QKZYQWPKHCINQA-INIZCTEOSA-N 409.280 2.744 0 50 HFAA CCS(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 20616296 ZAAXULWVAAUHOL-UHFFFAOYSA-N 418.544 2.503 0 50 HFAA O=C(NC[C@@H](c1ccco1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20718514 LZTJGHOXOQWCGA-KRWDZBQOSA-N 400.500 2.901 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCNCC1 67713507 DMWUDJMTRDNSIK-UHFFFAOYSA-N 405.546 2.671 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)CCc4ccccc4)ccn3n2)c1 169777077 AMQRXEHAHDZWTQ-UHFFFAOYSA-N 416.481 2.921 0 50 HFAA O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216186476 OFZYSVCYWJSLTB-HLPCFIAKSA-N 402.560 2.920 0 50 HFAA CC(C)(C)OC(=O)N1CCOC[C@H]1c1ncn(CC(=O)NCCC2=CCCCC2)n1 225826628 KECQNGZYOIAAID-KRWDZBQOSA-N 419.526 2.593 0 50 HFAA Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F 253431135 UBRVAJZEYDIJIV-MRXNPFEDSA-N 405.495 2.971 0 50 HFAA CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2nc[nH]c2C1 929078028 OXSGZASSWFMATO-GOSISDBHSA-N 409.490 2.912 0 50 HFAA O=C1NC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 1354729987 JSHAPYYKXOEXQY-SFHVURJKSA-N 403.404 2.881 0 50 HFAA COc1cc(-c2cn(C[C@@H]3CCN(C(=O)C[C@H](C)CC(=O)O)C3)nn2)ccc1Cl 1875354242 RYOBXMNEADMRDI-UONOGXRCSA-N 420.897 2.957 0 50 HFAA C=CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)C2)nn1 1875385976 GKXVMLJYWVXALQ-YOEHRIQHSA-N 413.547 2.744 0 50 HFAA COc1cc(-n2cnc(N=c3[nH]c(Cl)nc4c3CCC4)c2)cc(OC)c1OC 1983805530 ALEVNEWNQKSYEC-UHFFFAOYSA-N 401.854 2.996 0 50 HFAA O=C(NCc1ccc2c(c1)CCO2)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356155425 GKULSPRCLOTMFV-YJLYGGOZSA-N 403.482 2.570 0 50 HFAA Cc1cccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)c1 1144768 XERAWOUVAINTCS-UHFFFAOYSA-N 421.950 2.763 0 50 HFAA COC(=O)c1ccc(NC(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 3463975 MURJUBXFSOUZGY-UHFFFAOYSA-N 409.423 2.989 0 50 HFAA COc1cc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc(OC)c1OC 4813503 ZVIKGOLIUGVMCK-QGZVFWFLSA-N 414.458 2.874 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)c(C)c1 6709742 PPWYBULMOJAMIX-IBGZPJMESA-N 401.532 2.724 0 50 HFAA O=C(NN1C[C@@H](C(=O)OCc2ccc(Br)cc2)CC1=O)c1ccccc1 9591714 LTANULXABATKNZ-HNNXBMFYSA-N 417.259 2.686 0 50 HFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(OC)o1 11934583 VHIYSWWWEATYKJ-IBGZPJMESA-N 407.555 2.573 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)N[C@H](C)Cc3ccccn3)CCC(=O)N2)c(F)c1 12156656 NNZGOLDJTZDNDG-MWTRTKDXSA-N 413.493 2.948 0 50 HFAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC(C(=O)N2CCOCC2)CC1 12224541 LTQJJHFPEOGOCF-UHFFFAOYSA-N 405.445 2.999 0 50 HFAA CCC(CC)C(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12243693 DKPHWUJOFNZELE-UHFFFAOYSA-N 420.513 2.963 0 50 HFAA COCCCNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 12328345 HNJFQZUHDHMCIS-UHFFFAOYSA-N 407.474 2.982 0 50 HFAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 12593338 CWBAXQANHUROBZ-AWEZNQCLSA-N 410.436 2.916 0 50 HFAA O=C([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(c2ccccn2)CC1 16638202 HKEAMONBQCFPOT-HNNXBMFYSA-N 418.419 2.802 0 50 HFAA CCN1CCN(C2(C(=O)NCc3cccc4[nH]ccc34)Cc3ccccc3C2)CC1 20538104 VKJSSBXIAZVVJS-UHFFFAOYSA-N 402.542 2.959 0 50 HFAA Cc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(N2CCOCC2)n1 64800192 IDGGPTPSUORIJB-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA COc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(OC)c(F)c4)C3)n2)c1 227155191 LARDEMAHFLVDDP-UHFFFAOYSA-N 419.434 2.681 0 50 HFAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]3(C)N3CCCN23)cc1 252427662 BBNZBKJIGYHXIZ-TXTKFYIRSA-N 407.470 2.630 0 50 HFAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC(=O)N2C)cc1 253396337 BABDFVCADQDSRG-VXPBHUBDSA-N 413.562 2.938 0 50 HFAA biogenic COc1cccc(C[C@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c1 299764407 SMIZHVLYILUQFW-CYFREDJKSA-N 424.497 2.623 0 50 HFAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2c(Cl)cccc21 334160493 FXBVFXJAGMBIIX-MRXNPFEDSA-N 414.849 2.515 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)c1 463433452 XXOFLZRYFVWOPL-NRFANRHFSA-N 400.500 2.934 0 50 HFAA Cc1cccc(-n2c(S)nc3cc(C(=O)N[C@@H](C)CN(C)C)ccc3c2=O)c1C 805425912 FEVKMBDCFVOAAH-AWEZNQCLSA-N 410.543 2.971 0 50 HFAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952892086 DWJINXMGUWVALB-JXFKEZNVSA-N 403.498 2.875 0 50 HFAA O=C(c1cccnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1)N1CCCC1 1166615492 RSWVMCWMQUZAHG-UHFFFAOYSA-N 412.441 2.515 0 50 HFAA Cc1nc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c(-c2ccccc2)o1 1775965241 XWJOLBFUHRPXHZ-UHFFFAOYSA-N 412.515 2.594 0 50 HFAA CCS(=O)(=O)N1C[C@@H]2[C@H](CCN2c2nc(C(F)(F)F)nc3ccccc23)C1 1775988546 VBNNXPSSJVPESL-BXUZGUMPSA-N 400.426 2.509 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(Br)c2)CC1 1776002583 LZRVFJGAMLOBLZ-MRXNPFEDSA-N 423.307 2.594 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCc4ccncc4)CC3=O)sc2c1 1857707945 AZJIXKYJEVBPBP-HNNXBMFYSA-N 410.499 2.802 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCc4nccs4)CC3=O)sc2c1 1857717529 XJYXMPZKBWOBMO-LBPRGKRZSA-N 416.528 2.863 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCC4CCN(C)CC4)C3)nc2c1 1857738538 MPGMKVAIHRNAEF-KRWDZBQOSA-N 400.523 2.901 0 50 HFAA O=C(O)CCc1cn(Cc2cccc(C(=O)N3Cc4cc(F)c(F)cc4C3)c2)nn1 1875325392 XCEQDJKPEDFGON-UHFFFAOYSA-N 412.396 2.778 0 50 HFAA O=C(Cn1ncc(=O)c2ccccc21)N[C@@H]1C[C@]12CCc1cc(Br)ccc12 2325818651 PHVXUBSZIAQVQM-CTNGQTDRSA-N 424.298 2.932 0 50 HFAA C[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccc(Br)cc3)s2)CCO1 2325879277 PCWMMBJVDCNUED-SNVBAGLBSA-N 403.323 2.982 0 50 HFAA COc1ccccc1-c1cccc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)c1 2356143420 HAALPFRPHKUBJH-GMAHTHKFSA-N 411.498 2.869 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccs1 627379 XELFOHOZPJTIKT-QIPHDZALSA-N 410.520 2.778 0 50 HFAA NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cccc3ccccc23)cc1 1004334 UYPCPFUIIWWLNX-UHFFFAOYSA-N 404.455 2.645 0 50 HFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(C(=O)N2CCOCC2)cc1 1012163 NGHOEQWFMYOKMA-UHFFFAOYSA-N 422.407 2.890 0 50 HFAA CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)cc1 1026659 AJDNMMCUUGKGDZ-UHFFFAOYSA-N 413.459 2.578 0 50 HFAA COc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1 1111908 FPPZQTKXQYKCGI-LJQANCHMSA-N 417.868 2.942 0 50 HFAA Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 1365560 LQLJEHVBDDHBQW-UHFFFAOYSA-N 400.913 2.539 0 50 HFAA Cn1ncc(I)c1C(=O)Nc1ccn(Cc2ccccc2)n1 2735492 GNZDDHNPMBWAEJ-UHFFFAOYSA-N 407.215 2.522 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 2886040 ITUDLYYKLMYQRQ-OAHLLOKOSA-N 404.488 2.883 0 50 HFAA CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)O 3876651 YCZOCNPWGXMCKK-QGZVFWFLSA-N 410.515 2.980 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1Cc1ccccc1 11663301 HXNMDBMANDQQMZ-IBGZPJMESA-N 405.564 2.708 0 50 HFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1OC 11697492 IPONHUKMUKVHKH-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCCN13 12301034 HIDKTGUPZAAENH-CEXJFXJFSA-N 424.501 2.533 0 50 HFAA O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cc(Cl)c(Cl)cc1Cl 13737311 BKNCRHUHCDPOBO-HNNXBMFYSA-N 420.724 2.909 0 50 HFAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)cc1C 14534711 YZIPDKDXGFXOOC-UFYCRDLUSA-N 412.534 2.863 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(Cc3cnn(C)c3C)CC2)c(Cl)c1 15066572 NAWNQWYPBBYGLN-UHFFFAOYSA-N 420.941 2.802 0 50 HFAA CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 16648184 SUZHPSDASYIBOY-UHFFFAOYSA-N 406.483 2.747 0 50 HFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CN1Cc1ccccc1Cl 19746032 ONFHLZCFIGEOOE-NQIIRXRSSA-N 400.954 2.885 0 50 HFAA O=C(c1cc(F)c(F)cc1F)N1CCOc2ccc(CN3CCOCC3)cc2C1 19839559 ZBVOXDCFEACNSC-UHFFFAOYSA-N 406.404 2.971 0 50 HFAA Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)nn1C 55211211 PTDFIGQXVKTLBG-IBGZPJMESA-N 401.942 2.809 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C 77555020 OLJWALIDDYWOPE-UDSSINMLSA-N 423.538 2.701 0 50 HFAA Cc1cccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1C 95367247 MEJMIYCXFDFCJD-QUCCMNQESA-N 402.539 2.638 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4C)ccn3n2)cc1 169775861 LZMHIMXJIQKJLV-UHFFFAOYSA-N 402.454 2.910 0 50 HFAA CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 196624860 SOEQWLAFMILYLZ-FQEVSTJZSA-N 411.889 2.997 0 50 HFAA O=C(NC1CCCCC1)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252346771 BHRADLNCZJJIAN-XAISMOLKSA-N 419.525 2.941 0 50 HFAA biogenic COCCn1c([C@@H](C)NC(=O)COc2cccc(-n3cnnc3)c2)nc2ccccc21 334162493 VLBVGXMQGHNKIE-MRXNPFEDSA-N 420.473 2.520 0 50 HFAA O=C1CCc2cc(NS(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)ccc2N1 466958610 WUCGXKMZNJGHER-CYBMUJFWSA-N 420.462 2.927 0 50 HFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1NS(=O)(=O)C(F)(F)F 732763761 GIEZVOWSGRUTHA-CYBMUJFWSA-N 413.421 2.957 0 50 HFAA C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1323077554 KMWWSAWDWZRNSF-WHEQGISXSA-N 410.449 2.709 0 50 HFAA CC[C@H](C)Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)n(-c2cnn(C)c2)n1 1772805897 VGYHPXSHWAQZGO-INIZCTEOSA-N 408.506 2.729 0 50 HFAA COc1cccnc1CN1C[C@H]2CN(Cc3scnc3C)C[C@]2(CCC(=O)O)C1 1772808191 IGONUEYZTKBSCN-KKSFZXQISA-N 416.547 2.654 0 50 HFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(OC)c(Cn3cccn3)c2)cn1 1857692973 BXFCCIWMHUIZPX-UHFFFAOYSA-N 419.489 2.515 0 50 HFAA C[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC32CCN(CCO)CC2)CCN1C 1857699783 YFPJGGJDXSNBGI-IBGZPJMESA-N 421.589 2.556 0 50 HFAA CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 798707 PKNPHMASCGMSGK-UHFFFAOYSA-N 417.270 2.981 0 50 HFAA CCOc1ccc(Cn2cc(NS(=O)(=O)c3cn(C)nc3C)cn2)cc1OCC 2805172 DRIPVVSJZCMBRH-UHFFFAOYSA-N 419.507 2.572 0 50 HFAA COCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 2995575 XGXASSLDCLCJEW-UHFFFAOYSA-N 410.923 2.602 0 50 HFAA CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 4689217 JSIZYHHHEIKJHC-FQEVSTJZSA-N 410.426 2.974 0 50 HFAA O=C(c1cc(S(=O)(=O)N2CCCC2=O)c(Cl)cc1Cl)N1CCCCC1 4868634 ZIFFJVPNHSBUIC-UHFFFAOYSA-N 405.303 2.931 0 50 HFAA Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 11662061 MTLGDRNTLPPLMM-AWEZNQCLSA-N 406.433 2.534 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1Cc1ccccc1 11663300 HXNMDBMANDQQMZ-LJQANCHMSA-N 405.564 2.708 0 50 HFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(OC)c(F)c1)CC2 14741189 UQCLMBFRDKKCMH-UHFFFAOYSA-N 401.438 2.816 0 50 HFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](N(C)Cc1cccs1)C2 14744330 CWTPFONFMJEFAO-KRWDZBQOSA-N 415.607 2.732 0 50 HFAA CCOC(=O)C[C@@H](CC(C)C)NC(=O)Cn1cc(NC(=O)c2ccccc2F)cn1 14889617 OSQYUINVKKHFDS-OAHLLOKOSA-N 418.469 2.759 0 50 HFAA COCCNC(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 14995611 YVBBKFAXVZBDOK-UHFFFAOYSA-N 411.437 2.731 0 50 HFAA COc1cccc(C[C@]2(CO)CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 20138008 XRJDUCIMCKPZGU-RUZDIDTESA-N 421.541 2.952 0 50 HFAA COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1cccnc1 37866386 ZXWPSQHMWUTNIF-IBGZPJMESA-N 417.465 2.662 0 50 HFAA O=C(O)c1ccccc1-c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67934036 ACOUJEOTVUJAGF-UHFFFAOYSA-N 403.442 2.589 0 50 HFAA CCOCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2C1 77354067 MHOKEXYJJJITLT-INIZCTEOSA-N 402.516 2.647 0 50 HFAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CCCS(N)(=O)=O)cc12 77525321 BQIJDDBXQFLUMF-UHFFFAOYSA-N 403.479 2.967 0 50 HFAA Cc1nc(CN2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cs1 82138332 URKXBRXRFLQOHL-GOSISDBHSA-N 413.591 2.839 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2ccc(O)c(OC)c2)C[C@@H]1CCO 95531250 XPVIKRPLURZNEB-FQEVSTJZSA-N 400.519 2.868 0 50 HFAA O=C(Nc1ccc(Br)cc1Br)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239174447 QAUKZHUUEBUHIB-KKOKHZNYSA-N 417.053 2.804 0 50 HFAA COc1cccc(CC2=NO[C@H](C(=O)N(Cc3ccccc3)C[C@@H]3CCC(=O)N3)C2)c1 299770002 KSORHBDHHNWIEB-UGKGYDQZSA-N 421.497 2.690 0 50 HFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)CO2 479991391 NQOBVBYSZWIFPO-FQEVSTJZSA-N 410.514 2.519 0 50 HFAA CCCCS(=O)(=O)N1CCC[C@@H](CNC(=O)C2=Cc3ccccc3OC=C2)C1 822880419 MJRYFILHBDWTSW-KRWDZBQOSA-N 404.532 2.934 0 50 HFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(Cc4ccncc4)C[C@]34CC[C@H]2O4)cc1OC 1704342184 KIWOAVQAGMRGPI-UECWXEIQSA-N 423.513 2.508 0 50 HFAA CC(C)=CC[C@@]1(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)C[C@@H]2CC[C@H]1N2 1857666328 JLYLERMEZKEEOI-XZDHIHRUSA-N 406.530 2.894 0 50 HFAA CCC(CC)CC(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3ccc(O)cc3)C[C@]23CC[C@H]1O3 1857721629 YUNMUFPIKBACMR-FBHSLPMESA-N 414.546 2.883 0 50 HFAA CN(Cc1nc2c(s1)CCCC2)C[C@@]1(O)CCCN(c2ncnc3[nH]ccc23)C1 1857739608 XJPTUBKIZIZYOI-NRFANRHFSA-N 412.563 2.757 0 50 HFAA CC1(C)[C@H]2CCCN(C(=O)COCCc3cn(-c4cccc(C(=O)O)c4)nn3)[C@H]1C2 1875355774 QCSKOOOXGMJTGX-LPHOPBHVSA-N 412.490 2.562 0 50 HFAA C=CC(=O)NC[C@@H](NC(=O)[C@@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875383243 MDPLPSXMMLMQNF-YADHBBJMSA-N 421.497 2.871 0 50 HFAA CN(CCCOc1ccccc1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1940198048 JRQZAGYSWNBWGK-UXHICEINSA-N 402.878 2.824 0 50 HFAA Cn1cnc2cccc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@@H]4CC4(C)C)CC3)c21 2332238564 CQDZTUPJCPQJQP-OFJJUDJNSA-N 416.547 2.848 0 50 HFAA C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 1151083 GIGRAYMOSFNYRP-NSHDSACASA-N 416.227 2.860 0 50 HFAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1OC 2872272 RIIYMTKJORVDNL-FQEVSTJZSA-N 407.488 2.628 0 50 HFAA O=Cc1ccc2c(c1)OCCOCCOc1ccc(C=O)cc1OCCOCCO2 4566282 QYPDFOYBOVJVFU-UHFFFAOYSA-N 416.426 2.574 0 50 HFAA CC[C@H]1CN(CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 11910690 JFQYMOUCDXDNDM-SFHVURJKSA-N 423.517 2.619 0 50 HFAA O=C1CCCCN1CC(=O)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 12208322 CTWOZNQZQLJCIS-OAQYLSRUSA-N 405.583 2.661 0 50 HFAA COCCn1c(CN(C)Cc2nc(C)c[nH]2)cnc1S(=O)(=O)C1CCCCCC1 12434440 NTVJNXKJSQVCHK-UHFFFAOYSA-N 423.583 2.690 0 50 HFAA CCN1CCC[C@H]1CNC(=O)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1 14540730 LLMMRHOSPMRYQX-JZXOWHBKSA-N 413.484 2.910 0 50 HFAA Cc1ccc(-c2cc(C(=O)NCC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)s1 14755916 DNCZUCLXIXNSGF-UHFFFAOYSA-N 420.556 2.884 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(C)ccc3-n3cccn3)C2)CC1 20905963 IWECJVCUMHRYPR-NRFANRHFSA-N 411.550 2.919 0 50 HFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 21793592 YGTDYQUVPNZHKL-UHFFFAOYSA-N 404.312 2.576 0 50 HFAA Cc1ccccc1[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccncc1 95352858 QWTZPELLUASHMS-OAQYLSRUSA-N 400.438 2.966 0 50 HFAA O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 100742346 KUNFRYCDABUTIQ-UHFFFAOYSA-N 403.177 2.930 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)CC1 139546840 UPBVEPOOKBLMIQ-ILRDRHFLSA-N 420.531 2.793 0 50 HFAA CCOC(=O)c1cccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1 169760180 WMBTVWCFSXNYCU-UHFFFAOYSA-N 408.458 2.580 0 50 HFAA O=C1CO[C@H](CNc2ccc3ccccc3n2)CN1CC1CCN(CC2CC2)CC1 299764939 XGRGRDOWPWRONS-OAQYLSRUSA-N 408.546 2.996 0 50 HFAA CC(C)[C@@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2nc[nH]n2)no1 334162401 NGUXBPYTMGXVPX-CYBMUJFWSA-N 421.255 2.510 0 50 HFAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cnn(C)c3Cc3ccccc3)n2)c1 428355048 NKCFKWVBEKWNPF-OAHLLOKOSA-N 401.474 2.990 0 50 HFAA COc1cccc(CN(Cc2ccccc2F)C(=O)[C@@H]2CCCN2C(N)=O)c1OC 952872278 MOCKVXZWLYUZLV-SFHVURJKSA-N 415.465 2.915 0 50 HFAA O=C(N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1)C1(N2CCOCC2)CCCCC1 1529119956 OVXASKQCOBBHRK-NFBKMPQASA-N 423.557 2.632 0 50 HFAA CCC(=O)N[C@]1(C)CCOC2(CCN(CCOc3ccccc3CC)CC2)[C@H]1O 1772705019 VHIGXCGXJPAVFD-FCHUYYIVSA-N 404.551 2.529 0 50 HFAA CCn1ncnc1CN1C[C@@H]2CN(CCC3=C(C)CCCC3(C)C)C[C@@]2(CO)C1 1772708541 HZBAITONCUUHKY-CVDCTZTESA-N 401.599 2.941 0 50 HFAA CCCCc1ncc(CN2C[C@H]3CN(c4ncc(Cl)cc4F)C[C@]3(CO)C2)[nH]1 1772813929 BKTZQKUPRMMCMJ-XOBRGWDASA-N 407.921 2.871 0 50 HFAA NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 1875255719 RXYUMOFFDQWKPY-NRFANRHFSA-N 420.513 2.592 0 50 HFAA O=C1C[C@@H](C(=O)NCCn2cc(-c3ccc(Cl)cc3F)nn2)c2ccccc2N1 1875340881 XDBOLGZXIPJNKI-OAHLLOKOSA-N 413.840 2.980 0 50 HFAA Cc1ncsc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2onc(Br)c2C)C1 2325829980 XHSTWIMCARKCKL-GMSGAONNSA-N 413.297 2.543 0 50 HFAA Ic1ccc2nc[nH]c(=NC[C@@H]3CNCCC34CCC4)c2c1 2325839722 CDNANTDKDGUVMQ-LBPRGKRZSA-N 408.287 2.848 0 50 HFAA COCCN1C(=O)[C@@]2(CCN(C(=O)c3cccc4c3NCCC4)C2)c2ccccc21 2356139118 AVMDGBCCIDFGRK-XMMPIXPASA-N 405.498 2.822 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1COc2ccccc2O1 913120 VUQSIXJQUSJEHO-INIZCTEOSA-N 417.468 2.722 0 50 HFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 1130617 DKXJGJVDFGSICG-UHFFFAOYSA-N 410.879 2.961 0 50 HFAA COc1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 1204304 QVQATVOCVVDMFM-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 2760218 BTSCHYLGAKJBEB-UHFFFAOYSA-N 400.460 2.965 0 50 HFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4413969 DLVZYUBYZKSFJN-UHFFFAOYSA-N 409.511 2.952 0 50 HFAA CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12 4686454 WJBZMGSKVZYUCP-HXUWFJFHSA-N 412.446 2.528 0 50 HFAA COc1ccc(CNCC(C)(C)CN(C)C)cc1OC[C@@H](O)CN1CCCCC1 11947204 VDBQDBTVPVHUNY-FQEVSTJZSA-N 407.599 2.598 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)C3(C(N)=O)CC3)cc2)c1 12297424 KSONDICJHDPZOJ-LJQANCHMSA-N 407.470 2.557 0 50 HFAA CC(C)CC[C@]1(C2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)NC(=O)NC1=O 14883916 HHCBSHKCUKTSFT-HSZRJFAPSA-N 423.517 2.739 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2csc(C)n2)[C@H]3C1=O 77470405 CJYXLLAPOMRECR-NYUBLWNDSA-N 403.548 2.628 0 50 HFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(CSc3ncccn3)o2)on1 96152850 MIYQMIJEGXXMDW-CJNGLKHVSA-N 400.460 2.646 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)Cc4ccccc4OC)nnc23)n1 169780653 HHUHMRAVTKYLRT-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239046906 FYZPPMGIDXBSOF-ZPHNOLISSA-N 407.466 2.551 0 50 HFAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cc2ncc(CCO)cn2n1 828773639 VRJDHEGXNTXQDG-OAQYLSRUSA-N 407.518 2.611 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCCN2CCCCC2=O)CC1 1704339538 LHOQDKMHKNCSAB-UHFFFAOYSA-N 400.519 2.878 0 50 HFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCCN(C(=O)c3ccoc3)CC2)no1 1857685728 RCTRCNDGHNEEDI-UHFFFAOYSA-N 403.870 2.978 0 50 HFAA CC(=O)Nc1cccc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccsn2)c1 1875327487 ZEWPRQXQEXZRKJ-IAGOWNOFSA-N 400.504 2.501 0 50 HFAA NC(=O)c1cc(C(=O)N[C@@H]2CCCCN(Cc3ccccc3)C2)nn1-c1ccccc1 1875351934 NUXIDFITDVPIQV-LJQANCHMSA-N 417.513 2.756 0 50 HFAA Cc1cc(C)n(CC(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CN2CCCCC2)n1 2100540515 KFNVIJCIFCWKIS-PEISPCAHSA-N 422.573 2.589 0 50 HFAA CCn1ccc(C(=O)N2C[C@@H](C)[C@@H](n3cc(-c4cccc(NC)c4)nn3)C2)cc1=O 2325872996 UUDMADYXIIHVCF-QRWLVFNGSA-N 406.490 2.502 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cncs4)C[C@H]3C2)sc2nccn12 2325876074 JWPAANJHQWLOCZ-MELADBBJSA-N 415.544 2.831 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 2325889311 JWUCCCBPSAGLSK-CYBMUJFWSA-N 403.280 2.998 0 50 HFAA O=C(c1cc(=O)cc[nH]1)N1CC[C@@H]([C@H]2CCCN2C(=O)c2cc(O)c3ccoc3c2)C1 2332239554 KAUFCTLQFJZKQA-AUUYWEPGSA-N 421.453 2.594 0 50 HFAA CN(c1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cc1)S(C)(=O)=O 2356134838 FLEAQPAXGTWQAI-UHFFFAOYSA-N 420.556 2.848 0 50 HFAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(OCC)c2)CC1 1070494 LHMOCHLRONYEBG-UHFFFAOYSA-N 420.325 2.812 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1cccc(F)c1 1148794 IKRXQLACCUWTJG-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 2857859 WOUJYSOVQZAHRT-UHFFFAOYSA-N 412.533 2.917 0 50 HFAA COC(=O)COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c1 5563894 WFSRCNZDJBRWTH-LJQANCHMSA-N 411.483 2.670 0 50 HFAA COc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)nc(OC)n1 12307434 XGVDCSHILVEYMB-KRWDZBQOSA-N 413.522 2.587 0 50 HFAA Cc1nc2ccc(C(=O)N3CCC[C@H](CCC(=O)N4CCOCC4)C3)cc2nc1C 12704622 KGDBMVQAFWLZKP-GOSISDBHSA-N 410.518 2.738 0 50 HFAA CC(C)CN1C(=O)N(C)C2(CCN(C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)C1=O 14531803 HXLXBSUEHQHDAQ-QGZVFWFLSA-N 415.534 2.979 0 50 HFAA CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCOCC2)c1C 15219229 XIORDCNMGNYHPS-UHFFFAOYSA-N 422.528 2.948 0 50 HFAA COc1cc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 20539815 XMIMJNPQKLLHEE-NRFANRHFSA-N 416.566 2.694 0 50 HFAA Cc1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(-n2ccnc2)n1 67604352 PSNFPUOPTKVPDX-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1OC 72145085 AZSBPGRTNROTLB-HSZRJFAPSA-N 409.486 2.754 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]45)[C@H]23)cc1OC 245256171 OFNAHFMPUNUEAG-VLSUTZIASA-N 418.449 2.878 0 50 HFAA CC[C@H](C)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 252694128 IBXANRPQRNBPCR-RBLDQICESA-N 403.482 2.653 0 50 HFAA biogenic COc1cc2c(cc1OC)CN(CN1C(=O)N[C@]3(C1=O)[C@@H](C)CCC[C@H]3C)CC2 253388911 ILOKLNDPJQLKDK-RTYJCRPCSA-N 401.507 2.766 0 50 HFAA COC(=O)c1cn(CCn2c(C(F)(F)F)nc3ccccc32)cc2c(=O)[nH]nc1-2 263587540 IAVWVJXDHQYUAQ-UHFFFAOYSA-N 405.336 2.532 0 50 HFAA Cc1noc(C)c1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299774549 HCPONFSGCPDLAC-HXUWFJFHSA-N 417.481 2.701 0 50 HFAA C[C@]1(C2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)NC(=O)NC1=O 467514790 SUQFIJRWKMEEHH-JOCHJYFZSA-N 409.511 2.964 0 50 HFAA O=C(NCCn1ncc2ccccc2c1=O)[C@H](c1ccc(F)cc1)N1CCCCC1 952980424 WRLUIRQGPUPYDE-NRFANRHFSA-N 408.477 2.879 0 50 HFAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 1615701106 KEOJLVWPQONNDF-MOPGFXCFSA-N 400.523 2.554 0 50 HFAA COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](Cc4ccncc4)C3)CCCC2)cc1OC 1704347973 JHLBUUPDTNDCSS-UYAOXDASSA-N 410.514 2.973 0 50 HFAA COc1ccc2nc(CNC(=O)[C@]34CCCCN3C[C@@H](NC3CCCC3)C4)[nH]c2c1 1857693751 KXYGUMPMOXNPDO-GAJHUEQPSA-N 411.550 2.717 0 50 HFAA O=C(O)c1cn(CCCCNS(=O)(=O)c2cccc3ccc(Cl)cc23)nn1 2325870806 QIIZUNCVUXTHQS-UHFFFAOYSA-N 408.867 2.542 0 50 HFAA O=C(O)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)nn1 2356142363 PEJZKWCOTRBPDB-UWVAXJGDSA-N 402.454 2.744 0 50 HFAA CCOc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc1 2571614 BWWKEZIVYWOXDZ-YBEGLDIGSA-N 401.415 2.967 0 50 HFAA C[C@H](Cc1ccccn1)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 11821411 PGIYQEKYBXSAAR-HXUWFJFHSA-N 421.589 2.900 0 50 HFAA Cc1cc2c(=O)n(NC(=O)[C@@H](C)n3ncc(Br)c3C)c(C)nc2s1 20616391 ZGUAMVFQTUAWJB-SECBINFHSA-N 410.297 2.674 0 50 HFAA COCc1nn2c(ncc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccc(F)cc1 40397132 LCMHNUIBCXJPPU-UHFFFAOYSA-N 419.420 2.516 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 409415093 SXTNFRKHWYCBKM-GOSISDBHSA-N 405.458 2.818 0 50 HFAA Cc1cc(O)nc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc12 888089787 HYZSYSDBPHZMKW-QGZVFWFLSA-N 404.426 2.718 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1 1506397488 CTIWQSGWOMEYQY-UHFFFAOYSA-N 403.548 2.559 0 50 HFAA COc1ncccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857670583 WFXGQFIJYXSKBG-HSZRJFAPSA-N 417.469 2.768 0 50 HFAA O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)N1CC[C@H](Oc2ccc(F)cc2)C1 1875315061 GOJLRACWLGLZRG-IBGZPJMESA-N 420.444 2.647 0 50 HFAA O=C1CN(c2ccc(Nc3nc(-c4ccccn4)nc4sccc34)cn2)CCN1 1875339729 VNCKBMYKKVBHSH-UHFFFAOYSA-N 403.471 2.828 0 50 HFAA CCn1nc(C2CCCC2)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100545237 KRGSLAJMDOUJFQ-MOPGFXCFSA-N 400.479 2.902 0 50 HFAA Nc1ccnc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)c1 2356142664 BPYLGTSHKUIVPW-CTOYSFNJSA-N 422.504 2.887 0 50 HFAA Cc1cc2c(cc1C(=O)N1CCC[C@]3(CCc4cnc(N(C)C)nc43)C1)OCCO2 2356158026 BARDYAIRBGGXFB-QHCPKHFHSA-N 408.502 2.742 0 50 HFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 4904440 DYWSPIFIAADJFA-OAQYLSRUSA-N 413.449 2.685 0 50 HFAA COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc(OC)c1OC 5050861 NTYOCHFMNIGZJS-UHFFFAOYSA-N 415.475 2.634 0 50 HFAA O=C1CCC(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 11699088 MOYHGSGQISJUIK-KRWDZBQOSA-N 418.497 2.588 0 50 HFAA O=C(Cc1c(F)ccc(F)c1F)NC[C@H]1CCC2(CCN(C(=O)C3CC3)CC2)O1 11787726 JYKZFKWZGPSPHQ-CQSZACIVSA-N 410.436 2.713 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)CSc3ccccn3)C2)cc1 11821930 LCVDTOIODDFERN-GOSISDBHSA-N 413.543 2.780 0 50 HFAA Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 12462427 FEMJIXPADOXKEJ-UHFFFAOYSA-N 411.487 2.718 0 50 HFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O 12481168 WZPLMKDDDWOFSV-LJQANCHMSA-N 403.542 2.941 0 50 HFAA Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2ccnn2C)C1 14985336 ZCLKLVHCZAZMCT-HZPDHXFCSA-N 401.536 2.809 0 50 HFAA O=C(CC[C@@H]1CCCN(C(=O)CCn2cncn2)C1)NCc1ccccc1Cl 15069366 HIHZORUVCCWUGW-INIZCTEOSA-N 403.914 2.657 0 50 HFAA CCOC(=O)c1c(NC(=O)CCCN2CCOCC2)sc2c1CC(C)(C)OC2 19791001 QKGQCKPXBRSQEZ-UHFFFAOYSA-N 410.536 2.827 0 50 HFAA CCN1CCN(C[C@H](O)COc2cccc(CNCc3ccc(C)s3)c2)CC1 22851335 UWPAJAQAMJEPGR-FQEVSTJZSA-N 403.592 2.724 0 50 HFAA Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 82138580 NBAZEBQTIGAXEM-HXUWFJFHSA-N 407.562 2.778 0 50 HFAA CC(C)(C)OC(=O)N[C@@]1(C(=O)OC(C)(C)C)CC(=O)[C@@H]2[C@H]1[C@H]2C(=O)OC(C)(C)C 115200676 UHCSVCBZFNGHAA-BWNADHONSA-N 411.495 2.768 0 50 HFAA COC(=O)C[C@H](c1cccc(O)c1)c1c(O)n2cc(Br)ccc2nc1=O 205947179 MEMXYBJNVLFVBQ-CYBMUJFWSA-N 419.231 2.563 0 50 HFAA C[C@H](NC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 245258126 KOPMBZHKROTKNR-DOPJRALCSA-N 415.540 2.858 0 50 HFAA CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 248009787 IJYFLLFOOSORFE-DWRORGKVSA-N 424.563 2.695 0 50 HFAA biogenic Cc1cc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c(C)n1Cc1ccccn1 477222492 XDTLTSFOPWNHIW-UHFFFAOYSA-N 409.511 2.978 0 50 HFAA COc1ccc2[nH]c(CNC(=O)c3ccccc3S[C@@H]3CC(=O)NC3=O)cc2c1 824758648 YLBSEYJDYXRFME-GOSISDBHSA-N 409.467 2.614 0 50 HFAA O=C(CCCc1cnn[nH]1)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952895273 YUOWKHHPSVQLFY-SFHVURJKSA-N 420.395 2.910 0 50 HFAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccn2)C1 952975519 KLGRHGNOVGHYNA-MRXNPFEDSA-N 402.476 2.743 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc1 1506408139 VCLGYUBXFWJUDV-QGZVFWFLSA-N 402.451 2.587 0 50 HFAA O=C(c1cncc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1)N1CCCC1 1704340430 IIFOQQYCTPNVDO-DYESRHJHSA-N 403.486 2.930 0 50 HFAA COc1ccc(-c2ccc3c(O)nc(=O)n(Cc4ccc5c(c4)OCO5)c3n2)c(O)c1 1857526691 SXHXJXVJRMSELI-UHFFFAOYSA-N 419.393 2.655 0 50 HFAA O=C(CCn1cccn1)N[C@H]1CCCC12CCN(C(=O)CCC(F)(F)F)CC2 1857677621 KGVLLHGWDKPBNW-HNNXBMFYSA-N 400.445 2.893 0 50 HFAA CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c1C 1857735287 BHOZUBCHLROCQB-CEXWTWQISA-N 411.502 2.752 0 50 HFAA CC(C)(NC(=O)COCC(=O)NC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1 2325734848 AZPLHDAAJYMSNA-UHFFFAOYSA-N 424.497 2.558 0 50 HFAA COCc1noc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)n1 2356156881 VCZQZGADYNODST-FYQPLNBISA-N 410.518 2.660 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@H]4CCCO4)C3)c3cccc(=O)n32)c1 2356159842 SGGXCLIARPPBAP-JZZBYWGLSA-N 408.498 2.765 0 50 HFAA COc1nnc(-c2ccc(C)c(S(=O)(=O)NC(C)(C)CO)c2)c2ccccc12 781039 NTEKUMFCDIYRRW-UHFFFAOYSA-N 401.488 2.663 0 50 HFAA CC(=O)Nc1c(O)nc(SCC(=O)N(c2ccccc2)c2ccccc2)[nH]c1=O 10076996 VHZKIEBUPSKSOA-UHFFFAOYSA-N 410.455 2.891 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3Cl)C2)c(=O)[nH]c1C 11844277 JISPXKCTZMKGFQ-HNNXBMFYSA-N 401.894 2.927 0 50 HFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)cc1 12852048 TZUJHBWLGFOISC-UHFFFAOYSA-N 416.499 2.757 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77356784 UIULCWCOXWKEMM-XARGGIHNSA-N 409.530 2.587 0 50 HFAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2c(C)noc2C)CC3)no1 77505699 HTAAEIDFLLMLFX-UHFFFAOYSA-N 416.459 2.587 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1C 104532362 SPYPDQOXFBCYJE-HXUWFJFHSA-N 400.519 2.787 0 50 HFAA CCc1noc(-c2cccn3c(CNC(=O)/C=C/c4ccccc4OC)nnc23)n1 169776323 PSDMLBHHKBMLRI-ZHACJKMWSA-N 404.430 2.680 0 50 HFAA CCCCCCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]32)cc1 248265314 NZMUYKFTJGDSLM-VIYGXFRKSA-N 410.507 2.761 0 50 HFAA biogenic O=C(CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCCCn1ccnc1 252492452 MMTDVUBJRBRXPH-SFHVURJKSA-N 405.458 2.652 0 50 HFAA COc1cccc(SCC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 464044759 BRABGDQNIJSEOL-AWEZNQCLSA-N 409.533 2.599 0 50 HFAA O=C(Cn1ccc2ccccc2c1=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 468437050 IPUPSJDVNHQZNO-AWEZNQCLSA-N 413.836 2.716 0 50 HFAA COC(=O)[C@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1 470684611 VQNCSHPZXMPXFW-OAQYLSRUSA-N 406.438 2.696 0 50 HFAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 1529102142 YCMYACBBAYCXKD-NHCUHLMSSA-N 401.459 2.595 0 50 HFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857711651 BNHJFOTWTWDHLL-LGVFNWMJSA-N 414.465 2.991 0 50 HFAA COc1cc(Cl)ccc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1940197525 XGGNDRCOFFEMTB-WIYYLYMNSA-N 403.862 2.869 0 50 HFAA COCCN1C(=O)[C@]2(CCN(C(=O)c3cccc4c3NCCC4)C2)c2ccccc21 2356139117 AVMDGBCCIDFGRK-DEOSSOPVSA-N 405.498 2.822 0 50 HFAA CCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(OC)c1 2356145340 MDOOCXYNFAUCLR-NQOGSSOHSA-N 413.562 2.593 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)c1 687862 PAXMCRASWBZMFV-UHFFFAOYSA-N 416.858 2.756 0 50 HFAA COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(C(=O)OC)c1 1049088 XEASTXKSNHUJEH-MRXNPFEDSA-N 410.426 2.560 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(I)cc1 1141675 CNJBQVCXZLLAMI-GFCCVEGCSA-N 402.257 2.647 0 50 HFAA COc1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(Br)c1O 1193468 CFDBOLQTHZTVLZ-KGLIPLIRSA-N 405.292 2.944 0 50 HFAA biogenic CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 4806476 GVMOJJSNQMXKEJ-KZULUSFZSA-N 424.881 2.652 0 50 HFAA CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 4922242 LMXNNYWKFASPGJ-UHFFFAOYSA-N 422.547 2.585 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6703036 XFNPKVFMOQNCEC-FQEVSTJZSA-N 409.511 2.952 0 50 HFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4cccc(C)c4)n3)CC2)c1 8973792 JGCAFBFPDWBGOB-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA CC(C)C(=O)NCCc1nnc2n1CCN(Cc1nc(-c3ccccc3)cs1)CC2 11787575 YKLHHRMVCFIPPT-UHFFFAOYSA-N 424.574 2.775 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](CO)C2)n1CCCc1ccccc1 11819266 MSQNFMNAAZZMMI-IBGZPJMESA-N 405.564 2.514 0 50 HFAA Cc1cnc(-n2ncc(C(=O)NCCCN3CCCC3=O)c2C)nc1-c1cccs1 12049012 YTFSQMFKHIGYFP-UHFFFAOYSA-N 424.530 2.750 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nccn3C)C2)c(OC)c1 12306380 LRHWTLPIKKMEHV-QGZVFWFLSA-N 400.523 2.746 0 50 HFAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1 19838019 QJLWFOFLONOKLL-DEOSSOPVSA-N 423.488 2.818 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20258753 RXIMVKCMLKFBQL-UHFFFAOYSA-N 417.893 2.834 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccoc3)[C@H]4C2=O)cc1C 77285268 ICYWYEJURZRFOT-CIEVZJJWSA-N 406.482 2.837 0 50 HFAA O=C(Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC[C@@H]1CCCO1 77343542 IEQDMTXXAQVGLD-SFHVURJKSA-N 412.877 2.650 0 50 HFAA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 218307033 LBMHEEHWFXKOEA-UHFFFAOYSA-N 403.504 2.563 0 50 HFAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239135331 LBSIMHOZLIGMKS-PSIIGRPVSA-N 404.466 2.758 0 50 HFAA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(C)cc2)cc1 245326907 NCPXALZWXBXALK-XSDIEEQYSA-N 404.466 2.839 0 50 HFAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)c1ccc(Cl)cc1)C2 299757440 JNUGZAKPEYZKIF-UHFFFAOYSA-N 423.904 2.755 0 50 HFAA CCCCOCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 426563503 XVCZKVZHEHEPDV-QFIPXVFZSA-N 406.498 2.992 0 50 HFAA COc1ccc(C2(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)CCCC2)cc1OC 1704335514 AYWSXITXAGILEA-FYYLOGMGSA-N 416.562 2.821 0 50 HFAA O=C1C[C@@H](C(=O)N2CCCN(C(=O)Cc3ccsc3)CC2)C2(CCCCC2)O1 1772711363 YJRMVODHNABRNI-KRWDZBQOSA-N 404.532 2.618 0 50 HFAA CCc1cc(CN2C[C@@H]3CN(S(=O)(=O)CC)C[C@]3(CCc3ccccc3)C2)on1 1772813677 NYOJCTJCQRIJQT-KNQAVFIVSA-N 417.575 2.953 0 50 HFAA O=C(c1ccccc1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857681054 WFSXGKIZFIENMO-OAQYLSRUSA-N 412.461 2.737 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnc(C)cc2C)C1 1857693870 QHOWEBSPDMXZCI-AOHZBQACSA-N 414.594 2.528 0 50 HFAA COc1ccc2[nH]c(C(=O)N3CCC4(CCC[C@@H]4NS(C)(=O)=O)CC3)cc2c1 1857697042 IKDQFRGKOPDZSB-SFHVURJKSA-N 405.520 2.501 0 50 HFAA C[C@@]1(C(=O)NCc2ccc3c(c2)C(=O)NC3)CCN(C(=O)OCc2ccccc2)C1 1875342293 JQJFGOZWBJAGGG-HSZRJFAPSA-N 407.470 2.595 0 50 HFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 1148560 VTBPUIMSJYDNNS-UHFFFAOYSA-N 418.240 2.941 0 50 HFAA CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1 4717360 XBEXWIUSNVTRMC-QGZVFWFLSA-N 413.865 2.804 0 50 HFAA COC(=O)CNC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCCC1 8609118 OUBSEKCAJHJBRO-UHFFFAOYSA-N 424.501 2.820 0 50 HFAA Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)CC2)n1 11839599 FFTQCJUFZXPRQM-IBGZPJMESA-N 410.493 2.617 0 50 HFAA Cn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 12020997 JDUPJAYFLHFDPU-UHFFFAOYSA-N 408.506 2.861 0 50 HFAA Cc1nc(C)c(CC(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12480016 SYHUSDAOOGFGGS-GOSISDBHSA-N 421.588 2.661 0 50 HFAA O=C1CCCCN1CC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12593343 BLBIULQJCUUGNO-JOCHJYFZSA-N 405.489 2.792 0 50 HFAA Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1nc3ccccc3[nH]1)C2 14741570 YCVUVVBDZAMZSR-UHFFFAOYSA-N 400.486 2.785 0 50 HFAA N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2 26992199 PNUZDKCDAWUEGK-RAIGVLPGSA-N 409.820 2.703 0 50 HFAA in-vitro Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)CC1 55327599 HFCQGBWQYKKUHM-FQEVSTJZSA-N 418.545 2.553 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 59314206 NZRFJEKSCXNTNK-SFQUDFHCSA-N 423.492 2.831 0 50 HFAA COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1 64859196 HYOHKXGCEWCBKE-QJCFRYGKSA-N 404.503 2.630 0 50 HFAA in-vitro CCCCN1CCN([C@H](C(=O)N2Cc3ccccc3C2)c2ccccc2)C(=O)C1=O 77440323 PTDTWWFKFPLHRJ-NRFANRHFSA-N 405.498 2.741 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)cc(F)c4)ccn3n2)c1 169777065 QCVKRDQQUMXHNG-UHFFFAOYSA-N 424.407 2.880 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@H]([C@H](NCCC(=O)NCc2ccccc2)C2CC2)C1 170601611 UPCBSYRYMLWTSY-PZJWPPBQSA-N 417.550 2.697 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1C 229997421 HFSYTLKIKCDFFP-VKDGWMQASA-N 419.456 2.874 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C43)[C@@H]2C(=O)N1c1ccc(F)cc1 238923894 QDNJKBZKGZUKGQ-KPHXCBFCSA-N 400.456 2.889 0 50 HFAA CC(=O)N1CCN(c2ccccc2CNCc2cnn(Cc3ccccc3)c2)CC1 240333714 FEYGPEYDXRSGAK-UHFFFAOYSA-N 403.530 2.890 0 50 HFAA NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H](CCO)C2CCOCC2)cc1 461917031 IWJBBSXWVTUNGT-LJQANCHMSA-N 413.474 2.877 0 50 HFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 685076812 QUHMWGZPRDSJEF-LPHOPBHVSA-N 416.547 2.688 0 50 HFAA CC1CCN(C(=O)COc2ccccc2CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)CC1 1704340222 XTHSOSBAHOOGBD-QHAWAJNXSA-N 413.562 2.670 0 50 HFAA COc1cc(Oc2cc(C(=O)N[C@H]3CC[C@H](O)CC3)ccc2OC)ccc1CN 1857699767 XUNOIFGLBNUYEV-QAQDUYKDSA-N 400.475 2.988 0 50 HFAA Cc1ccc(CN2[C@H]3CC[C@@H]2CNC(=O)c2ccc(C)c(c2)OCCNC(=O)C3)o1 1857708617 CSPAZKBNCVVFFX-RBUKOAKNSA-N 411.502 2.558 0 50 HFAA O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1)[C@H]1Cc2cc(F)ccc2O1 1875325579 PSAYGGRVGJCZJO-PDPPITACSA-N 412.436 2.835 0 50 HFAA O=C(CSc1cccc[n+]1[O-])Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1 2325879137 JHWBJQLFNATQDQ-UHFFFAOYSA-N 403.410 2.539 0 50 HFAA CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(OC)cc3OC)CC2)CC1 795515 WISMLUQIIFIYMQ-UHFFFAOYSA-N 418.534 2.718 0 50 HFAA COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)c1 945491 VUTNOTNARNTUBO-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 1049544 KMLGVXXEECOBLH-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1088033 DYDSUEYDKULUSZ-UHFFFAOYSA-N 422.503 2.995 0 50 HFAA CCOc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 2581691 HPCHNXDRQHHJRG-UHFFFAOYSA-N 419.532 2.973 0 50 HFAA Cc1cc(C)n(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(=O)c1 2792682 GXJMVKYTRSGAIV-UHFFFAOYSA-N 401.264 2.856 0 50 HFAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1 11963765 UBLIBZCGAOXKBX-SZNDQCEHSA-N 404.894 2.574 0 50 HFAA CN(C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)[C@H]1CCOC1 12000906 GXRHGSODNWLWJW-OXJNMPFZSA-N 424.419 2.502 0 50 HFAA COc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)c(OC)c1 12025471 OHNXKGDTBJHMRA-QHCPKHFHSA-N 400.519 2.868 0 50 HFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CC(=O)N(Cc2cccnc2)C[C@H](O)C1 14541644 QRQUANSBYCJWCD-HNAYVOBHSA-N 407.436 2.737 0 50 HFAA CCN(CC)CC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2OC)C1 14951625 XHDNWSWSAQGAJP-NRFANRHFSA-N 418.626 2.639 0 50 HFAA Cc1oc(-c2cccs2)nc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 14971479 QTMYMTSGXXMCHH-SFHVURJKSA-N 424.526 2.718 0 50 HFAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCc4sccc4C3)c2)CC1 15063037 AOMAAIZBEAUNKE-UHFFFAOYSA-N 420.556 2.749 0 50 HFAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 15671272 DSRVBNXUJIFXJW-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA C[C@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O 19772666 JUNQEISKSJTAOR-OAHLLOKOSA-N 411.889 2.669 0 50 HFAA CN1CCC(N2CCC(Oc3cccc(C(=O)N(C)Cc4ccon4)c3)CC2)CC1 20149349 YEFQHRLTZRRUOO-UHFFFAOYSA-N 412.534 2.884 0 50 HFAA Cc1nc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc1C(=O)N(C)C 20343300 PQVDVNNIIWBKDK-UHFFFAOYSA-N 421.954 2.567 0 50 HFAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2C=CC=NN12 104272276 WJPVALWHXGUUEI-HCXYKTFWSA-N 405.841 2.937 0 50 HFAA CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2Br)C[C@H]1C(=O)O 169725279 KAYBDMYTBVQOIO-AWEZNQCLSA-N 413.268 2.772 0 50 HFAA CCN1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)CC1 169776490 XXZINCMPIMWESI-GOSISDBHSA-N 419.323 2.695 0 50 HFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1C1CCCCC1)[C@H]1C(=O)N(C2CCCCC2)C(=O)[C@H]31 239347101 MCOZDZJHNKOQRG-RKGSWTEASA-N 410.514 2.670 0 50 HFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 241301045 LPXQSVWLHAXJQZ-JUXOCIIHSA-N 403.542 2.909 0 50 HFAA COC(=O)c1cn(CCn2ccc3ccc(Br)cc32)cc2c(=O)[nH]nc1-2 263587084 BYBPDOHZVKWTOX-UHFFFAOYSA-N 415.247 2.880 0 50 HFAA COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1OC 263616688 KAWYDDKYIJHTIY-LJQANCHMSA-N 412.421 2.636 0 50 HFAA Cc1nc(O)c(Br)cc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F 796815437 DOARHTUCFZPPRN-INIZCTEOSA-N 401.207 2.774 0 50 HFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CCN(C(=O)[C@@H]2CCCO2)CC1 826595211 SVIGSVMABYRWKX-NRFANRHFSA-N 400.498 2.888 0 50 HFAA C[C@H](Oc1ccc(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc1Cl)C(=O)O 1857694607 FVURIHNENHKDHS-LBPRGKRZSA-N 417.853 2.507 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c1C 1857724651 LUJXYKMUUUWMAD-RXVVDRJESA-N 413.518 2.952 0 50 HFAA CCn1ncc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1Cl 2325842127 OWEIRZHETVICAH-UHFFFAOYSA-N 409.903 2.630 0 50 HFAA COC(=O)c1cc(Br)c2ncc(CNC[C@@H](O)c3ccccc3)n2c1 2325849938 GNJRPSMMUAQDNL-MRXNPFEDSA-N 404.264 2.707 0 50 HFAA COc1ccc2cc(C(=O)N[C@H](C)C(=O)Nc3nc(C(C)=O)cs3)n(C)c2c1 2325854619 MUTWXHHATFQSBM-SNVBAGLBSA-N 400.460 2.603 0 50 HFAA CCn1c(=O)c2c(n3c(SCC(N)=O)nnc13)-c1ccccc1CC21CCCCC1 779498 KWYCFFSUOLPFHF-UHFFFAOYSA-N 423.542 2.913 0 50 HFAA biogenic CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c1 1148809 FNTKRSMMNCORNS-UHFFFAOYSA-N 423.882 2.831 0 50 HFAA O[C@H](COc1ccccc1CNCCOc1ccccc1)CN1CCSCC1 12073409 NJAHAMFENUZHJD-FQEVSTJZSA-N 402.560 2.644 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc3ncccn3n2)C1 12429287 GDDNPJKDCXANOX-QFIPXVFZSA-N 410.449 2.897 0 50 HFAA COc1ccc2cc([C@H](C)NC(=O)Cn3nnnc3CN3CCC(C)CC3)ccc2c1 12593693 DNJNSRGNPXTCBC-KRWDZBQOSA-N 422.533 2.944 0 50 HFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(OC)c(Cn3cncn3)c2)C1 14956299 FODVKBUECMNSQD-QFIPXVFZSA-N 416.522 2.517 0 50 HFAA Cc1cc(-c2nnc(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)o2)no1 20538422 ZYMZKZDNZTWWPY-VMPITWQZSA-N 407.474 2.823 0 50 HFAA CN(C)CCOc1ccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1 39485037 ZGHDGPMAOYCXJB-OAQYLSRUSA-N 403.592 2.757 0 50 HFAA COc1ccc(CC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 72442240 SYGXRNWDHAMTAM-UHFFFAOYSA-N 409.534 2.675 0 50 HFAA COc1ccccc1-n1nccc1CNc1ccc(C(=O)NCCO)c(Cl)c1 225430624 DTVGYXXJEXSYBI-UHFFFAOYSA-N 400.866 2.869 0 50 HFAA Cc1c(S(=O)(=O)N(C)c2ccc(Br)cn2)cnn1-c1ccccn1 328594011 IJWMZBLHDHHPPG-UHFFFAOYSA-N 408.281 2.558 0 50 HFAA COc1ccc2c(c1)CCCCN2C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 498759056 HPMOKJMSLRPZJO-UHFFFAOYSA-N 422.529 2.889 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)c(F)c1 809862751 JOIUUTRIGWARIB-FQEVSTJZSA-N 404.463 2.943 0 50 HFAA Fc1cnc(N2CCCN(c3nc4ccccc4s3)CC2)nc1N1CCOCC1 1506401155 PMZUOCVFLOZAKE-UHFFFAOYSA-N 414.510 2.779 0 50 HFAA Cn1c(CNc2nccc(N3CCC[C@@H](O)C3)n2)nc2cc(C(F)(F)F)ccc21 1704358259 HXSUYUGMCYBCSU-CYBMUJFWSA-N 406.412 2.955 0 50 HFAA CO[C@@H]1CC[C@@H]2NC[C@H](/C=C3\C(=O)N(CCCN(C)C)[C@@H]4CC[C@H](F)C[C@@H]34)[C@H]2C1 1775953788 NGQQMXCGOOHLQB-BBVKVHHJSA-N 407.574 2.617 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)nc(=N)[nH]1 1857668483 CPXIDOBFNWMGOJ-UHFFFAOYSA-N 404.518 2.729 0 50 HFAA CCNC(=O)c1ccc(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)nc1 1857698748 GXKFEXYKERBSEM-UHFFFAOYSA-N 401.488 2.659 0 50 HFAA CN(Cc1cc(-c2ccccc2)no1)C[C@@]1(O)CCCN(c2ncccc2C(=O)O)C1 1857720791 KOBHZJOZGBACNQ-QHCPKHFHSA-N 422.485 2.898 0 50 HFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C 11879281 XGTFKXMHGUSGQU-QFIPXVFZSA-N 423.557 2.704 0 50 HFAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(C)c2)CC3)cc1 12020844 BDGTYQBIUHLDSW-UHFFFAOYSA-N 403.530 2.926 0 50 HFAA CC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12050850 XCDDBMWXZBEDKD-CALCHBBNSA-N 417.550 2.816 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F 12315847 PXAVXRZRNANOEB-SFHVURJKSA-N 418.428 2.801 0 50 HFAA CCN(CC)C(=O)Cn1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)nn1 12710996 MNIJYPRCYBSTNC-SFHVURJKSA-N 409.490 2.692 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCCc2ccccc2F)CC1 14975023 QKNPETMYXUCXNW-UHFFFAOYSA-N 414.477 2.814 0 50 HFAA O=C(c1cc(S(=O)(=O)N2CCCC2)cs1)N1CCN(c2ccc(F)cc2)CC1 16651248 YUYNSDLHZKQENP-UHFFFAOYSA-N 423.535 2.634 0 50 HFAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19834849 BXMIUBDSZLAVIC-UHFFFAOYSA-N 412.870 2.714 0 50 HFAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 43191137 WJPVALWHXGUUEI-MANSERQUSA-N 405.841 2.937 0 50 HFAA O=C(Cc1nnn[nH]1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67851466 AGIGOBJNLOXCBS-UHFFFAOYSA-N 407.455 2.751 0 50 HFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@@H]23)[C@H]1C(=O)Nc1ccc(I)cc1 239433760 YKMYHUNAHTVSPY-GXYBRJDSSA-N 409.223 2.999 0 50 HFAA CCOC(=O)c1sc(NC(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(C(=O)OCC)c1C 252476981 FYYXKKLOKNZOFL-VXGBXAGGSA-N 411.524 2.966 0 50 HFAA C[C@@H]1C[C@H](OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)C(=O)O1 253388687 DMBHWOIPOXYDKQ-LPMFXHHGSA-N 415.467 2.687 0 50 HFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3c(c1)OCCO3)C=C2 253413245 UGDYSWYJMZVFCX-UHFFFAOYSA-N 424.453 2.859 0 50 HFAA biogenic O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O 1704312476 CQOILQABBUODLM-AZUAARDMSA-N 405.397 2.888 0 50 HFAA Cc1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)nnn1-c1ccc(F)c(Cl)c1 1775988948 SYRJEDLUWHXXCL-PKOBYXMFSA-N 421.904 2.727 0 50 HFAA O=C(c1ccncc1F)N1CC[C@]2(C1)CN(c1ccc(C(F)(F)F)cn1)CCO2 1857684273 GJLZYGPCOPSYBF-GOSISDBHSA-N 410.371 2.756 0 50 HFAA CC(=O)N1CCC[C@@]2(CCc3c(N4CCCN(C)CC4)nc(-c4cccnc4)nc32)C1 1875247505 NAJBLRUGBPDTBL-XMMPIXPASA-N 420.561 2.507 0 50 HFAA CC[C@@](C)(CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)N1CCOCC1 1875257804 BABLQORGRJXBFF-GGAORHGYSA-N 420.598 2.877 0 50 HFAA Cn1cnc2cccc(C(=O)N3CCC([S@@](C)(=O)=NC(=O)[C@@H]4CC4(C)C)CC3)c21 2332238562 CQDZTUPJCPQJQP-GUNSETOZSA-N 416.547 2.848 0 50 HFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1 2356137457 YYMIZUODJMHOOX-LJQANCHMSA-N 403.482 2.973 0 50 HFAA CC(C)(CN1CCOCC1)CN1CCC2(CC1)OCCc1cc(C(=O)O)sc12 2356157171 CTHWHUHJMVJLAT-UHFFFAOYSA-N 408.564 2.669 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)Cc3cccc(OCCN)c3)CC1)OCC2 2356161564 ABWSNHLWUIGEJE-UHFFFAOYSA-N 410.514 2.666 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 10336206 HHDOCQWFLRKMOB-UHFFFAOYSA-N 403.504 2.936 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)N[C@@H](C)Cc3ccccn3)CCC(=O)N2)c(F)c1 12156641 NNZGOLDJTZDNDG-QMHKHESXSA-N 413.493 2.948 0 50 HFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 12406177 MVQBMSUJIIAFKE-OAQYLSRUSA-N 410.470 2.969 0 50 HFAA Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCCC3)cc1 17090666 LPNUSHBCQSTWGL-UHFFFAOYSA-N 416.499 2.905 0 50 HFAA COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2coc4c2C(=O)CCC4)C3)nn1 19301099 FVZMMLLDBTXYBW-AWEZNQCLSA-N 419.437 2.998 0 50 HFAA COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(OC)cc1Br 170602148 VSCQJIDUIRAVCB-UHFFFAOYSA-N 416.249 2.965 0 50 HFAA CN(C)C(=O)c1cccc(NC(=O)CN2CCOc3ccc(Br)cc32)c1 170604691 PPAVEFJCRQVELS-UHFFFAOYSA-N 418.291 2.988 0 50 HFAA COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CCC(=O)[C@]21C 222165463 WRVBJIVZZAJHJM-XMHQMDIFSA-N 418.486 2.787 0 50 HFAA biogenic CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2COc3ccc(Br)cc32)cc1 225520432 CDVCGQLWGKMSPP-HNNXBMFYSA-N 424.272 2.633 0 50 HFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]54)[C@H]23)c(OC)c1 248184075 GIOZNUPYMKXVJF-OTMRLVHASA-N 418.449 2.878 0 50 HFAA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 248243245 PIYYNHRXLHZNCZ-HMFYCAOWSA-N 424.545 2.766 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 252549024 QPCWDUPIMLKRGK-QGZVFWFLSA-N 424.505 2.971 0 50 HFAA COc1ccc2nc(N3CCC[C@@H]3C(=O)NCc3ccc4c(c3)OCO4)nc(C)c2c1 299758780 LQMMALOGNARUQH-LJQANCHMSA-N 420.469 2.961 0 50 HFAA COc1ccc(CCCC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 464048009 MOYGBZDQSXKICN-KRWDZBQOSA-N 405.520 2.830 0 50 HFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NC[C@]1(c2ccccc2)CC1(C)C 824742852 DSAXBSFFHCKPHE-NRFANRHFSA-N 403.500 2.969 0 50 HFAA Cc1cc(C)c(N2C[C@H](C(=O)NCc3ccnc(-n4ccnc4)c3)CC2=O)c(C)c1 921205403 FEXGODQACVQDAZ-LJQANCHMSA-N 403.486 2.862 0 50 HFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1cccs1 952973816 VEQLZIFLWTXHDZ-OAHLLOKOSA-N 414.491 2.516 0 50 HFAA O=C(CN1CCOc2ccccc2C1)N1CCC[C@H]1c1nc(-c2cccnc2)no1 952977254 PPOYFDVIZMZLKU-SFHVURJKSA-N 405.458 2.690 0 50 HFAA O=C(c1ccccc1N1CCCC1=O)N1CCN(c2ncnc3sccc23)CC1 1248612335 CIFOQDPCPREDJJ-UHFFFAOYSA-N 407.499 2.781 0 50 HFAA NC(=O)c1nc(Cl)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 1336663084 KASALDXKOBLZPW-UHFFFAOYSA-N 411.849 2.523 0 50 HFAA CC[C@@H]1CN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)CCN1 1506423712 HIEMUFOKJTXTRI-SNVBAGLBSA-N 408.471 2.838 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc(O)n1 1857700922 CFSCSALNHKIVRF-HSZRJFAPSA-N 417.469 2.773 0 50 HFAA C[C@@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)n1cc(-c2cnc3ccccc3c2)nn1 1875351627 CQMYBVZKAYZXCB-AWEZNQCLSA-N 409.457 2.866 0 50 HFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc3c(s2)CCOC32CCNCC2)n1 2356141207 YBIYHFUBZJVQCK-ZDUSSCGKSA-N 404.536 2.972 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCOCC2)cc1 713471 MRZFIIVACFJHSA-UHFFFAOYSA-N 408.907 2.779 0 50 HFAA CCOCCn1c(SCc2cccc3ccccc23)nc2c1c(=O)[nH]c(=O)n2C 5356270 RKKRNHPTDLFRCM-UHFFFAOYSA-N 410.499 2.905 0 50 HFAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)nn1 11764253 RNCQCZILTAGYPG-INIZCTEOSA-N 412.519 2.734 0 50 HFAA CC[C@@H]1CN(CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 11782775 HDUBMSQJVWQBRC-QGZVFWFLSA-N 400.523 2.955 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)O1)c1cc(F)cc(F)c1 11841804 VRLLUWPUAFSXHZ-SFHVURJKSA-N 415.440 2.944 0 50 HFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3cccnc3)c2C)n1 12031952 SCQARMJZJMNLIK-UHFFFAOYSA-N 400.442 2.971 0 50 HFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CNC(C)=O)O3)c1 14994953 LDJWTGRWTIBZMZ-MRXNPFEDSA-N 418.877 2.580 0 50 HFAA CC(C)c1nc(CNCc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)cs1 19792406 SABYDQWOHQPPMU-HXUWFJFHSA-N 418.607 2.543 0 50 HFAA CCN(Cc1nc(COC)no1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 55358091 OOLTUYMPSVHFPA-NRFANRHFSA-N 403.479 2.979 0 50 HFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccc(Br)c3)nn2)n1 67612219 ZOOAJHQBRKFYII-UHFFFAOYSA-N 415.295 2.884 0 50 HFAA Cc1cc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc2ccccc12 67803336 ACXSUOPXOHAFQF-QHCPKHFHSA-N 401.470 2.890 0 50 HFAA O=C(O)c1cc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc2ccccc12 71775796 MWWKSZLOJAJNKM-MRXNPFEDSA-N 422.529 2.892 0 50 HFAA COc1ccc(CN(C)Cc2ncc(C)[nH]2)cc1OC[C@@H](O)CN1CCCCC1 95518652 AZMOMLPAKRHQMW-IBGZPJMESA-N 402.539 2.584 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(NC(C)=O)c4)n3n2)cc1 169778523 IUDYNHBHFUHXAW-UHFFFAOYSA-N 416.441 2.688 0 50 HFAA CCC[C@@]1(C2CCN([C@@H]3CCSC3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299786930 UQBYJXLKFMZZMR-KNQAVFIVSA-N 416.591 2.932 0 50 HFAA O=S(=O)(NCCCc1ccccn1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506426269 FIRRNFDNDNAIGX-UHFFFAOYSA-N 400.382 2.995 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc(Cl)cc2)cc1OC 1529112317 KRETWDBBGZHIQI-TZIWHRDSSA-N 405.878 2.861 0 50 HFAA COc1cccc(N2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2(C)C)c1 1529117881 CDBAYKQXSJFQAU-UHFFFAOYSA-N 410.518 2.668 0 50 HFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857673800 YSZTYEWCCJTWGJ-UHFFFAOYSA-N 405.502 2.760 0 50 HFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCc4csc(=N)[nH]4)C3)nc2c1 1857696440 AMQXQSHYILJMJA-ZDUSSCGKSA-N 415.519 2.671 0 50 HFAA O=C1CCOC2(CCN(C(=O)Cc3ccccc3OCc3ccccc3)CC2)CN1 1857730419 PPYFCBZGXDNPJS-UHFFFAOYSA-N 408.498 2.706 0 50 HFAA CCN1CCN(c2cccc(NC(=O)c3cc4c(OC)[nH]c(=N)nc4s3)c2)CC1 2325740515 ILYNNVQSDZNOPW-UHFFFAOYSA-N 412.519 2.507 0 50 HFAA O=C(O)c1cn(CCCCNS(=O)(=O)c2cc3ccccc3cc2Cl)nn1 2325870574 FODCGUVYLKNRHI-UHFFFAOYSA-N 408.867 2.542 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)CC1 2325889601 YILVYUWBHXHXEW-UHFFFAOYSA-N 401.532 2.547 0 50 HFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C4CCCC4)ccc3C2=O)C(=O)N1 2325896150 RZYBZTKLEHTBBN-VQTJNVASSA-N 423.513 2.633 0 50 HFAA COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1 869819 SDKOLSROYKHQIU-UHFFFAOYSA-N 408.424 2.748 0 50 HFAA c1cc2c(cc1C1OCC3(CO1)COC(c1ccc4c(c1)OCO4)OC3)OCO2 2055881 LOGORLJVFDSHIE-UHFFFAOYSA-N 400.383 2.921 0 50 HFAA COC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 2172650 AHYPDFXHKZEJDR-FOIQADDNSA-N 423.469 2.683 0 50 HFAA COc1cc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl 2853215 UFKXXHIILNOEBH-UHFFFAOYSA-N 401.897 2.814 0 50 HFAA CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@@H]1c1cc(C)ccc1C 4687050 WALGMGXGYSBSGI-CQSZACIVSA-N 419.532 2.701 0 50 HFAA O=C(NCCc1cn2ccccc2n1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11935534 NYBHPMAJIBSBHQ-FQEVSTJZSA-N 404.514 2.864 0 50 HFAA Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12133026 CTKUBTIPQGJRLN-KRWDZBQOSA-N 416.529 2.808 0 50 HFAA O=C(C1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1)N1CCCC1 12712604 MSVAOXOMCXHBBF-IBGZPJMESA-N 403.567 2.809 0 50 HFAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCN(Cc2cccs2)CC1 19739678 ZAJPGBDRDLRIOJ-UHFFFAOYSA-N 401.923 2.999 0 50 HFAA Cc1nc(CCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn23)nc2c1CCC2 20451599 ZWTZTBRXRASXTP-UHFFFAOYSA-N 412.925 2.609 0 50 HFAA Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1 20905779 AMUWAVNCUGJBRX-GOSISDBHSA-N 404.518 2.839 0 50 HFAA CO[C@@H](C)c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1 71498063 ZXJWGMHWHYTDJO-AWEZNQCLSA-N 405.472 2.780 0 50 HFAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccsc3)[C@@H]4C2=O)c1 77505354 XISILWGKSVRFAE-GJPOJAMWSA-N 408.523 2.997 0 50 HFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 170638223 OBXCJLKRCAJXJI-KURKYZTESA-N 407.536 2.796 0 50 HFAA CC(=O)Oc1ccc(CC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 225504422 XZYXVFWIMGSOHU-UHFFFAOYSA-N 411.454 2.748 0 50 HFAA COCCn1ccc(=O)c(OCC(=O)Nc2ccc(Br)cc2F)c1C 263588204 QJGVVCCCYGJCCT-UHFFFAOYSA-N 413.243 2.722 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1)c1ccccn1 408521498 WTWMQDCRLHVJEI-UHFFFAOYSA-N 411.487 2.625 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1)c1ccccc1 482177349 FYMRHIZVQLVBLQ-MRXNPFEDSA-N 408.458 2.931 0 50 HFAA O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857728083 MTTGKKCHVAAXBT-ROKPMTFOSA-N 416.481 2.797 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)CC1 1875365416 WFYGBTJSKLWFEY-UHFFFAOYSA-N 410.436 2.940 0 50 HFAA C[C@@H]1COB(O)c2cc(NC(=O)Cc3cccc(OCc4cccnc4)c3)ccc21 1875368585 BYOQGIJDKSZZOR-MRXNPFEDSA-N 402.259 2.663 0 50 HFAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)c3ccccn3)CC2)c1 2325820318 OBAYOHBYBMBWET-JOCHJYFZSA-N 417.513 2.850 0 50 HFAA CNc1ccc(C(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)O)cc1F 2325877322 OQDFDDQAQQSQBD-OAHLLOKOSA-N 411.227 2.892 0 50 HFAA CC(C)Cn1c(CN2CC[C@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)nc2ccccc21 2356163203 RSBVPUYKKIOHTF-PMACEKPBSA-N 402.564 2.833 0 50 HFAA O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2F)CC1 1454309 MNXBUXSFHHLPQY-UHFFFAOYSA-N 417.506 2.573 0 50 HFAA O=C(N[C@@H](Cc1cn(C(=O)OCc2ccccc2)cn1)C(=O)O)OCc1ccccc1 2555062 FGLXUCKEBNGNEL-IBGZPJMESA-N 423.425 2.990 0 50 HFAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c1 4809462 GQVVEJACXFIREK-UHFFFAOYSA-N 407.923 2.837 0 50 HFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 11714943 JJLOLASUOYQSFU-GFCCVEGCSA-N 403.389 2.680 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2cn3cc(C)ccc3n2)CCC1=O 12204501 GHPGAUQEKIBVMR-SFHVURJKSA-N 406.486 2.706 0 50 HFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCCN2CCCC2=O)C1 12590167 SOBAZINQQHCYDP-QHCPKHFHSA-N 418.509 2.943 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12714150 HKSDOEBNHLPTHE-MRXNPFEDSA-N 407.486 2.597 0 50 HFAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)n1 13008919 UACPXHCSFICRQK-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1nccs1)CC2 14741608 WZPFGUFDRMZLMP-UHFFFAOYSA-N 414.531 2.971 0 50 HFAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3c(Cl)cccc3Cl)CN2C1=O 14746153 BNCPTOUDGAJTOV-GDLCADMTSA-N 413.305 2.629 0 50 HFAA COc1cccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 19564556 JEYSLFNOLYQULE-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCN(Cc1nc(COC)no1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 55358093 OOLTUYMPSVHFPA-OAQYLSRUSA-N 403.479 2.979 0 50 HFAA CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1cccc(O)c1OC 252499460 SAYXMNFPGONHKZ-QGZVFWFLSA-N 417.487 2.860 0 50 HFAA C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1/sc3ccccc3n1C)C2=O 253413403 SAYDOVGLEGTGAJ-OORNFRMISA-N 414.531 2.804 0 50 HFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc(O)c2)CC1 299773876 GOCDHNOOSHBOFT-QFIPXVFZSA-N 414.477 2.802 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCN(C(=O)C(C)C)C1 823357843 FMGFPBLKDUCVGC-CQSZACIVSA-N 402.944 2.972 0 50 HFAA COc1ccc(-c2ccnc(C3CCN(C(=O)c4cccc(=O)n4C)CC3)n2)cc1 952892932 KDNBQRAIDNAALM-UHFFFAOYSA-N 404.470 2.871 0 50 HFAA CN(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)CN3CCCCCC3)C2)cc1 952987126 JMIBFFGPTVNDBI-LJQANCHMSA-N 400.567 2.597 0 50 HFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cnc3ccccn3c2=O)cc1 952987746 MXQXYLZTMXDECP-IBGZPJMESA-N 407.470 2.567 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3cccnc3)C[C@@H]3CCC(=O)N3)cc2)n1 1506410587 MNURXAAWLWOWFB-QFIPXVFZSA-N 417.513 2.864 0 50 HFAA COc1cccc(-c2cc(CC3(O)CCN(c4nccnc4N(C)C)CC3)on2)c1 1704297367 OYLOWNWFPRDOBD-UHFFFAOYSA-N 409.490 2.780 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CCC(=O)O)C1 1772813733 RGVBSEFQXWZIIL-HRAATJIYSA-N 402.516 2.921 0 50 HFAA CCc1nnc(N2C[C@H](C(=O)NCCc3cccc(C(F)(F)F)c3)CC2=O)s1 1857705997 FJFUKJQLPOAHRZ-GFCCVEGCSA-N 412.437 2.831 0 50 HFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 1160418 ODTHNGWRKBJSSN-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA CCCOc1ccc(-c2nc3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3n2)cc1 2314010 DXRXNGJXFPZKTF-ZCXUNETKSA-N 418.478 2.501 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC1CCCC1 4977947 IWCZNRKZQZTHQF-UHFFFAOYSA-N 402.516 2.645 0 50 HFAA COC1CCN(Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3ccc(Cl)cn23)CC1 11819317 ZVAFLARUNJXZGO-GASCZTMLSA-N 420.941 2.848 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1CCOC 12306410 QGGSCGMKRGQURG-UHFFFAOYSA-N 408.499 2.576 0 50 HFAA C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 15000662 MFPIQJXIAZAVBZ-CQSZACIVSA-N 409.442 2.820 0 50 HFAA CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)N2CCCCC2)C1 17088013 OLMAYDNQMPMXLJ-CYBMUJFWSA-N 408.520 2.929 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 19782424 AUNMDPWWHUFEKV-GOSISDBHSA-N 400.862 2.981 0 50 HFAA O=C(NCCc1cn2ccccc2n1)c1coc(CN2CCc3ccccc3C2)n1 20997751 BETYINPJVNORIL-UHFFFAOYSA-N 401.470 2.853 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cncs2)CN1Cc1ccccc1C(F)(F)F 39400373 BICXXCWMHDGGDM-OCCSQVGLSA-N 413.421 2.708 0 50 HFAA CC(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 48276254 VQGJKZJBDDDBGT-HXUWFJFHSA-N 403.486 2.552 0 50 HFAA Cc1ccc(F)c(NC(=O)CCC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 63832272 WPZCWVFJVKSWLN-HXUWFJFHSA-N 402.470 2.559 0 50 HFAA O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772731 LNXXBCBTHCIXTI-AWEZNQCLSA-N 405.433 2.895 0 50 HFAA O=C1NCCN1[C@@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 222165086 KKXPXABQNNYESY-BYVUDNFTSA-N 410.356 2.737 0 50 HFAA Cc1ccc(OC2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)cc1 222298948 UPFFULAWZCPPNQ-JOCHJYFZSA-N 402.491 2.659 0 50 HFAA CO[C@@H]1CCC[C@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 225483802 RGJKYQZKBKNADJ-WOJBJXKFSA-N 408.564 2.868 0 50 HFAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21 248335443 MWHGJMCVJKVUHD-RAZUEPIFSA-N 419.456 2.874 0 50 HFAA COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2n(C)c1=O 253407070 JMYJIBYHWQWWAM-AWEZNQCLSA-N 411.410 2.676 0 50 HFAA biogenic CCN1C(=O)C[C@](CC(=O)N(C)Cc2ccno2)(c2cccc(C(F)(F)F)c2)C1=O 299803080 WCMAQGQOGSQRLF-LJQANCHMSA-N 423.391 2.759 0 50 HFAA CC(=O)c1cc(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)n[nH]1 426442773 YCKCZNMZDODUAP-QHCPKHFHSA-N 408.502 2.700 0 50 HFAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 483843879 YDWSXHZGSGCXCI-NRFANRHFSA-N 420.513 2.888 0 50 HFAA CN(C)c1cc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc2n1 543457838 SWYSMCQBROMCBF-UHFFFAOYSA-N 401.463 2.644 0 50 HFAA O=C(O)C[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)c2ccccc21 742029267 DQSYIMRDEVYMNO-CYBMUJFWSA-N 401.419 2.779 0 50 HFAA Cn1ccn2ncc(C(=O)N3CC[C@H]4[C@@H](C3)CN4Cc3c(F)cccc3Cl)c12 1775982664 NOOCCDUZZCVDEJ-UGSOOPFHSA-N 401.873 2.812 0 50 HFAA Cc1cc(Br)ccc1N1C[C@@H](C(=O)NC2CCC(C(=O)O)CC2)CC1=O 1857531224 RHVWFPCSENIKLG-OWYJLGKBSA-N 423.307 2.870 0 50 HFAA CCCc1nnc(N2C[C@@H](C(=O)NCCCc3ccc(OC)cc3)CC2=O)s1 1857736872 PHRQLJLKIWRKHA-HNNXBMFYSA-N 402.520 2.601 0 50 HFAA Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(N)cc1 1250047 XCEFDVXGOBNFJE-UHFFFAOYSA-N 408.531 2.505 0 50 HFAA COc1ccc(-c2csc(NC(=O)CSc3nc(OC)cc(=O)[nH]3)n2)cc1 4632376 HIPNZXXLEKOMLB-UHFFFAOYSA-N 404.473 2.641 0 50 HFAA COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1OC 4708470 KTDWVQNSQKWLKC-ZDUSSCGKSA-N 404.426 2.678 0 50 HFAA CN1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@@H]2c2ccccn2)CC1 11661870 ZTFAVPAVCBQPOL-GOSISDBHSA-N 424.574 2.906 0 50 HFAA Cc1cc(C)cc(N2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2=O)c1 11874524 VFNKDIBFCHCWHA-UHFFFAOYSA-N 403.486 2.741 0 50 HFAA C[C@]1(C2CCN(C(=O)c3ccccn3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12054985 OAWUZVRAWAFOGG-JOCHJYFZSA-N 410.449 2.584 0 50 HFAA O=C1CC[C@@H](CCNCc2cccnc2)N1CC1(N2CCOCC2)CCCCC1 12218870 LUUBGNNRSMHBDG-NRFANRHFSA-N 400.567 2.587 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1Cc1ccccc1F 12300453 OJMMKPOXOOUUOD-UHFFFAOYSA-N 409.527 2.863 0 50 HFAA O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCC(N2CCSCC2)CC1 12469483 YQHJUTSCAJDBEE-UHFFFAOYSA-N 422.938 2.955 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 12711936 IPVGJIPBOVWLPT-GOSISDBHSA-N 410.006 2.975 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N1CCC(c2ccccc2)CC1 55252450 JHKKCLKKSJKXCK-QFIPXVFZSA-N 409.505 2.922 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCCO)nc2c1=O 72475420 WYOWOUDBOOISGI-UHFFFAOYSA-N 414.893 2.895 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3OC)C2)c1 170615210 BIZJPANESPOMSJ-SFHVURJKSA-N 420.487 2.832 0 50 HFAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H]1CCSc3ccc(F)cc31)C2=O 239338728 LBZFHIWXORSSSY-UFAGZECESA-N 405.495 2.980 0 50 HFAA COc1ccccc1-c1nc2cc(C(=O)N3CCC[C@@H](O)C3)cc(NC(C)=O)c2n1C 299774867 GRTXSKLPJBCYJP-MRXNPFEDSA-N 422.485 2.804 0 50 HFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 1506397986 ZSBGMZLJSSQKGB-UHFFFAOYSA-N 415.515 2.900 0 50 HFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875256890 FXXZGFRWOJITSV-HNAYVOBHSA-N 408.907 2.663 0 50 HFAA O=C(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1cccc2c1CCN2 1875343928 YNCPBXHWKRRSPE-UHFFFAOYSA-N 400.378 2.714 0 50 HFAA COc1cccc(N2CCN(C(=O)c3cnc(-c4ccccc4)n3C)[C@@H](C)C2=O)c1 2100556823 IXRBSGLLRFZPEP-INIZCTEOSA-N 404.470 2.973 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2N(C)C)CC1 11665264 PLVCOGCINZXREL-FQEVSTJZSA-N 403.567 2.732 0 50 HFAA O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCOCC1 12293878 NADIEVKZWPJPOK-UHFFFAOYSA-N 419.275 2.939 0 50 HFAA O=C(NCc1cc(F)cc(F)c1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12580021 CJAMYEVVRFMMPX-QGZVFWFLSA-N 405.489 2.694 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 12703381 XHVQEEMCUZSWJY-UHFFFAOYSA-N 400.450 2.772 0 50 HFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 15075939 ZLFSPPYIVKFUQI-GOSISDBHSA-N 403.486 2.604 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1C 72117250 KHHXSRZCHOENDU-UHFFFAOYSA-N 415.563 2.513 0 50 HFAA CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCC[C@@H]1O 72437373 FDQNMRHLFKQKNC-IKGGRYGDSA-N 414.593 2.691 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2Cl)CC1 95507107 KFLVFADIJWEZEJ-UHFFFAOYSA-N 400.928 2.769 0 50 HFAA Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@@H]3COc4ccccc4O3)CCC2)cc1 140055444 ZGERZSABLWOGRP-MRXNPFEDSA-N 401.484 2.648 0 50 HFAA CC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)c1 170625599 QTEPWLDJPHQLCE-KRWDZBQOSA-N 414.849 2.748 0 50 HFAA C/C=C\C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(=O)OCC 221848933 LXQZGVXJWQYGIB-SLUZZZFTSA-N 423.307 2.816 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 426739125 WUMIXIXGETXCCT-UHFFFAOYSA-N 407.474 2.812 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCc2nc(-c3ccccn3)no2)s1 670446904 RUAGMPXWWOBGNL-UHFFFAOYSA-N 417.472 2.943 0 50 HFAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C 822831076 RQGQZRJKKHQIEH-KRWDZBQOSA-N 405.520 2.980 0 50 HFAA COCCCOCCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 952895328 ZXBONMUKCCWAKW-FQEVSTJZSA-N 401.507 2.832 0 50 HFAA COc1cccc([C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)c1OC 952966889 HCZXMCNKCDZIFP-MRXNPFEDSA-N 403.500 2.666 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(CN2CCCC2)c1)c1cccc(F)c1 952988620 NTEAXNYETBGZGR-UHFFFAOYSA-N 405.495 2.826 0 50 HFAA Cn1nc(-c2nnc([C@H]3CC(=O)N(c4ccc(F)cc4F)C3)o2)c2ccccc2c1=O 1322201474 BCOXHIWFLXUZIJ-NSHDSACASA-N 423.379 2.782 0 50 HFAA O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1onc2c1CCCC2 1467610313 YMHXHOVXAFMICS-HNNXBMFYSA-N 404.264 2.851 0 50 HFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)C2 1857668970 SXYHZZCEJYCESO-SIKLNZKXSA-N 415.511 2.584 0 50 HFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 2856482 NYCKDMFCZPTDTP-UHFFFAOYSA-N 401.488 2.667 0 50 HFAA CCOC(=O)N1CCN(C(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)CC1 4471227 MVYHBGFAERKLRE-OBGWFSINSA-N 413.499 2.820 0 50 HFAA COc1ccc(CNS(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)cc1 6681823 ZQTOSNWACDKBJQ-UHFFFAOYSA-N 407.473 2.784 0 50 HFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCCN(Cc2ccccc2F)CC1 11815723 AYIGNQSGCQZJHQ-UHFFFAOYSA-N 411.456 2.953 0 50 HFAA CCn1cc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1 11933265 FILXFYYEKCCXRN-JOCHJYFZSA-N 409.578 2.896 0 50 HFAA Cc1cc(CN(C)[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)on1 14537530 GHHJJYBJYSFJBU-GOSISDBHSA-N 407.518 2.978 0 50 HFAA C[C@H]1CN(C(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)C[C@@H](C)O1 15068682 VCBPEGFWHBFIMA-IYBDPMFKSA-N 415.534 2.885 0 50 HFAA COC(=O)CC[C@H]1CN(Cc2ccc(SC)cc2)CC[C@H]1N1CCN(C)CC1 19850244 RBCANUUIPDBOBU-PZJWPPBQSA-N 405.608 2.800 0 50 HFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 39468104 NLAGWUMJCNEOBZ-LJQANCHMSA-N 402.466 2.632 0 50 HFAA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 195551092 OCLCLHCZYGAONE-PTSWNOGYSA-N 409.504 2.753 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)[C@H]3CCOC(C)(C)C3)CC2)nn1 244816832 SPHKJVRNPYBRKN-YESZJQIVSA-N 405.543 2.565 0 50 HFAA COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 252498568 REYYXOMMOKRMDB-GOSISDBHSA-N 415.515 2.775 0 50 HFAA C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)C[C@@H](C)O1 252517347 GISHIEGMJYIICV-ZTTFMMGISA-N 404.532 2.715 0 50 HFAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@@H](CC(N)=O)c2cc3ccccc3nc2O)cc1 263587711 KIPXXEQEJVBQPR-INIZCTEOSA-N 418.453 2.564 0 50 HFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 798319036 VPTIZUHHHYVAMN-AWEZNQCLSA-N 401.463 2.974 0 50 HFAA COCCc1noc([C@H]2CCCN(C(=O)CCC(=O)Nc3cccc(F)c3)C2)n1 952976381 NCWWWQVJUZABJI-AWEZNQCLSA-N 404.442 2.523 0 50 HFAA Cn1ccnc1[C@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)C1CC1 1704311437 JSFVUUZMZFQOAX-GOSISDBHSA-N 407.474 2.793 0 50 HFAA CCn1ncnc1CN1C[C@H]2CN(CCC3=C(C)CCCC3(C)C)C[C@]2(CO)C1 1772708527 HZBAITONCUUHKY-AUSIDOKSSA-N 401.599 2.941 0 50 HFAA COc1ccccc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857736338 PLUCFCVAOVVGDU-UHFFFAOYSA-N 410.518 2.507 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnc4c(c3)CCCC4)C1)CC2 1875246806 AYAWAGXLTXDLOC-HSZRJFAPSA-N 407.518 2.642 0 50 HFAA CCN(C)c1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(C(=O)CCOC)C1 1875247167 YEAQQCGCOCYNCF-QHCPKHFHSA-N 409.534 2.838 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)N(C)Cc3ccccc3)C2)c2cccc(=O)n21 2356145789 IIJRKEHXKQSUMW-ZCNNSNEGSA-N 415.559 2.985 0 50 HFAA O[C@H]1CN(c2cncc3nccn23)C[C@]12[C@H](c1ccccc1)[C@H]2CN1CCCCC1 2356154663 FEVUZQNOOLNADO-WNXIRNOKSA-N 403.530 2.796 0 50 HFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCO2 799299 BCZHMJMDEQHEOM-UHFFFAOYSA-N 403.441 2.925 0 50 HFAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC 893037 YXAZCJDDQGNVBG-UHFFFAOYSA-N 424.906 2.504 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 1074957 KQXIYYOJORBUBW-UHFFFAOYSA-N 402.472 2.885 0 50 HFAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1OC 1118023 CQNUGRWWIXUXIO-ZDUSSCGKSA-N 415.309 2.822 0 50 HFAA COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1 2846850 QPZDKKGPKJYGEI-UHFFFAOYSA-N 419.894 2.964 0 50 HFAA O=C(NCCCn1ccc2ccccc21)c1cn(C[C@@H]2COc3ccccc3O2)nn1 11665472 KPSGDUKWIJDRTP-GOSISDBHSA-N 417.469 2.893 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCc1ccccc1F)C3 12036855 ZHHPONDHLKAKPB-MRXNPFEDSA-N 414.550 2.848 0 50 HFAA COC(=O)c1cc(CNC(=O)c2ocnc2C)cc(NC(=O)Cc2ccccc2)c1 12041699 CULUINFEFANTAW-UHFFFAOYSA-N 407.426 2.881 0 50 HFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2cccc(F)c2F)CC3)CC1 12056968 USSABCHFGKVQFB-KRWDZBQOSA-N 421.488 2.868 0 50 HFAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1nccs1)CC2 14731771 AEVVLAQBLUWHKX-UHFFFAOYSA-N 414.560 2.694 0 50 HFAA CN1[C@H](CO)C[C@H](CNC2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1F 20119577 ZZOFGSIOARUDHV-UTSGNWPNSA-N 412.553 2.829 0 50 HFAA CCOC(=O)C1CCN(C(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)CC1 20614415 QKZYQWPKHCINQA-MRXNPFEDSA-N 409.280 2.744 0 50 HFAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(C)n2)[C@H](c2cccc(F)c2F)N1C 39447074 JBVFQKJGDNYEQP-IEZWGBDMSA-N 403.429 2.519 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c(C)c1 64800236 OEQXPGAINSJFEC-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 65363871 XWRKKDWKOVKOBL-UHFFFAOYSA-N 415.559 2.709 0 50 HFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cccc(F)c1 169752355 XHCUDNJHOCBRAL-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1CC(C)(C)O 170602686 WROSTYAGENRUKJ-GFCCVEGCSA-N 419.747 2.785 0 50 HFAA Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cnn(C(C)C)c2n1 170621230 QLHXHYFUJWEGLR-GFCCVEGCSA-N 422.445 2.674 0 50 HFAA O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCN2C(=O)CC[C@H]2C1 430591478 NWPVGEXQQWQMNR-HNNXBMFYSA-N 403.438 2.767 0 50 HFAA CC1(C)CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)N2CCOCC2)C1 468810842 CMZDIORZHJGKJH-UHFFFAOYSA-N 400.504 2.778 0 50 HFAA O=C1CCc2cc(NS(=O)(=O)C[C@@H]3CCCOC3)ccc2N1CC(F)(F)F 795349655 GSHLSVALTAHLGG-GFCCVEGCSA-N 406.426 2.696 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CCc2cccc(O)c2)cs1 952986812 IMQLKRIXCWVFJA-HNNXBMFYSA-N 408.545 2.989 0 50 HFAA CC[C@@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 1357662897 PBKGTTSTTRCDRN-MJWYBRSISA-N 419.485 2.907 0 50 HFAA CC[C@H]1CN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)CCN1 1506423710 HIEMUFOKJTXTRI-JTQLQIEISA-N 408.471 2.838 0 50 HFAA Cc1cc(C)c([C@@H](CO)NC(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(C)c1 1875306314 ZXIYFPGNYIIHIX-ZWKOTPCHSA-N 421.538 2.580 0 50 HFAA O=C(O)c1ccc(-c2cn(C3(C(=O)NCCc4ccc5[nH]ccc5c4)CC3)nn2)cc1 1875322918 NOKSOZBXGAIHFY-UHFFFAOYSA-N 415.453 2.973 0 50 HFAA Cc1csc(CCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)C2SCCCS2)n1 1875345639 DRGOLHFNRQUFAV-UONOGXRCSA-N 413.634 2.981 0 50 HFAA C=CC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)C1 1875387850 ATBKSWFMKPRNJC-UNEWFSDZSA-N 421.423 2.890 0 50 HFAA CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N=c2cc3n([nH]2)CCCC3)c1 2325724786 KVOGRZWPISLGMU-UHFFFAOYSA-N 416.528 2.530 0 50 HFAA C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)[C@@H](C(=O)OC)CC(=O)N3CCOC)CC1 12159578 NTHLCTGSDQVSKB-WOJBJXKFSA-N 404.551 2.792 0 50 HFAA COC(=O)c1ccc(CNC(=O)CCN2Cc3ccc(OC)cc3O[C@@H](C)C2)cc1 12244475 ZQVHQAFQZKFSJU-INIZCTEOSA-N 412.486 2.771 0 50 HFAA CC(=O)Nc1ccc(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)cc1 12279420 TUWCLNCPMDWRJB-UHFFFAOYSA-N 410.522 2.746 0 50 HFAA COc1ccc(Cn2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2)cc1 12703550 WLRWVAJMDYTZSV-UHFFFAOYSA-N 405.502 2.729 0 50 HFAA COc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)=O)CC1 12712830 NMUHVWSIRTXPOA-UHFFFAOYSA-N 403.504 2.780 0 50 HFAA CC[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O 13712720 RSSASGCNSCHMNX-INIZCTEOSA-N 421.906 2.870 0 50 HFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cnc3ccccc3c1)C2 14742682 ATYONFWDCBTADX-IBGZPJMESA-N 419.529 2.571 0 50 HFAA COc1cc(CN(C)Cc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)CC1 14975706 KVNNZGZCXUIPIB-JOCHJYFZSA-N 414.546 2.524 0 50 HFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)CC[C@@H]21 20210648 VSPGXZSWHNQHPU-UXLLHSPISA-N 414.955 2.688 0 50 HFAA COc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)c1 20534560 PTEUXMGFGQKMQY-QHCPKHFHSA-N 406.530 2.950 0 50 HFAA CC(C)CCCN1CC[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC1=O 23153635 YTOKBLMCYDZWMU-HXUWFJFHSA-N 406.615 2.610 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(F)c(F)c4)c2=O)CCCCC3)no1 169763976 HKECNBLJVKIQEZ-UHFFFAOYSA-N 402.401 2.675 0 50 HFAA CCc1noc(-c2ccn3c(CNC(=O)Cc4c[nH]c5ccccc45)nnc3c2)n1 169776179 JKEUSQBOWMIXRW-UHFFFAOYSA-N 401.430 2.682 0 50 HFAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)CSCc1cc(C)cc(C)c1)C2 426490110 DGAHCUQYWGNROD-UHFFFAOYSA-N 400.548 2.802 0 50 HFAA CCCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1nc(-c2cnccn2)n[nH]1 426547514 CBTAJZDJMWZEGJ-INIZCTEOSA-N 404.478 2.831 0 50 HFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)OC(C)(C)C 575319673 BEMRKFMWPQHBBR-UHFFFAOYSA-N 406.516 2.516 0 50 HFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H](c1cccnc1)N1CCOCC1 670462253 TVFSBPBZWWWELQ-FQEVSTJZSA-N 413.909 2.734 0 50 HFAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N1CCC(c2cc[nH]n2)CC1 1506422043 NSGZBMXZSIBAPT-UHFFFAOYSA-N 415.397 2.980 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@@H]3C[C@H]4CC[C@@]3(C(=O)O)C4)nn2)s1 1875324720 KUGQUQBQMLXMGY-AKCHCHLHSA-N 417.535 2.920 0 50 HFAA COc1ccc(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)c(OC)c1 1875350470 OKBDMKDVZIALKQ-UHFFFAOYSA-N 417.425 2.765 0 50 HFAA COC(=O)CCCCC(=O)N1CC=C[C@H]1CNC(=O)c1cc2c(F)cc(F)cc2[nH]1 2325872212 MQKPHTNTRBQKAZ-AWEZNQCLSA-N 419.428 2.676 0 50 HFAA COC(=O)c1nn(-c2ccccc2Cl)c(I)c1C(=O)OC 630074 BEZNHBWCJJFGCW-UHFFFAOYSA-N 420.590 2.704 0 50 HFAA CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 1516860 VGGKQKWTCCJEPN-QFIPXVFZSA-N 414.458 2.644 0 50 HFAA CCn1cc(Br)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)n1 2777511 FOMDZPCOSGBIEI-UHFFFAOYSA-N 422.308 2.618 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1cccs1 4471094 XLDKCIKCEGQUOI-QIPRVMPFSA-N 410.520 2.860 0 50 HFAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1 4973677 LXRMLMHBNDUJIQ-UHFFFAOYSA-N 405.545 2.521 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)Cn2nc3ccccc3n2)C1 11701827 NMGQEHYIRWMTBW-HSZRJFAPSA-N 424.476 2.985 0 50 HFAA CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCC(=O)OC)c21 11789264 SRQPLTIURPRKEP-UHFFFAOYSA-N 424.457 2.593 0 50 HFAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12050145 HSPLQBAUWPGXSO-HSZRJFAPSA-N 413.518 2.994 0 50 HFAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 12280066 MQZONKMCDGVFDP-UHFFFAOYSA-N 415.519 2.872 0 50 HFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc2c(c1)OCCO2 12296685 AETCNVPTRAUEBN-UHFFFAOYSA-N 406.442 2.646 0 50 HFAA biogenic COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 12382898 SQRGPTZNRKHJGK-SFHVURJKSA-N 424.563 2.515 0 50 HFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(c2ccc(Cl)cn2)CC1 19837283 YDZBKRUMHRVZPW-UHFFFAOYSA-N 417.300 2.991 0 50 HFAA C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 20136709 PMMFHBWJTWTGNS-QGZVFWFLSA-N 421.969 2.684 0 50 HFAA CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc(C)c1C 35802758 YXCKTBFKZQENMB-UHFFFAOYSA-N 419.503 2.531 0 50 HFAA O=C(CNC(=O)c1ccccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 72442174 HNYRYUWZFMTLSL-UHFFFAOYSA-N 413.441 2.774 0 50 HFAA COc1cc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1Br 170650705 NNQBUWZLVDNSCY-UHFFFAOYSA-N 416.249 2.965 0 50 HFAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1ccc2c(c1)OCCCO2 206250662 IZUFSRYMYSMPSX-QGZVFWFLSA-N 407.426 2.657 0 50 HFAA C[C@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1Cc2ccccc2C1 225430986 OMUQIBYKCYOKSH-DUXBZUBYSA-N 423.557 2.756 0 50 HFAA CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)s1 252510174 ZDCTWEKWECLWMI-MRXNPFEDSA-N 415.496 3.315 0 50 HFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CNC(=O)c2cncnc2)CC1 825586504 BFOLRFAJEXWOGT-AWEZNQCLSA-N 402.882 2.566 0 50 HFAA COc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)COC(=O)O3)c(OC)c1 1529145396 IEWJUHJSZCIWBI-UHFFFAOYSA-N 413.430 2.857 0 50 HFAA Nc1ccnc(N2C[C@@H]3CN(Cc4ccc(Cl)s4)C[C@@]3(CCC(=O)O)C2)n1 1772809085 LWFIWTUSFKSMGC-SGTLLEGYSA-N 407.927 2.577 0 50 HFAA CCNC(=O)CN1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705122 TZWNGJLWGNMTKS-HXUWFJFHSA-N 401.551 2.611 0 50 HFAA Cc1nc2cccc(-c3noc([C@@H]4CCCN(S(=O)(=O)c5cccnc5)C4)n3)c2[nH]1 1875254018 GQJZIYNHYDBJAY-CQSZACIVSA-N 424.486 2.885 0 50 HFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)C1 1940193701 KGYAKKSMKHUYLL-HSZRJFAPSA-N 401.470 2.777 0 50 HFAA Cn1c(Cc2noc(-c3ccnc(O[C@@H]4CCOC4)c3)n2)nnc1-c1ccccc1 2325736155 MJKKJESIQCISMX-MRXNPFEDSA-N 404.430 2.686 0 50 HFAA CC(C)CN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)NCc1ccccc1 6387751 MNPCJOBCYQTMTB-GIJQJNRQSA-N 411.531 2.665 0 50 HFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1CNC(=O)C1 11878503 BYYGCLARORRISI-KRWDZBQOSA-N 411.468 2.554 0 50 HFAA CC(C)N1C[C@@H](OCc2ccc(F)cc2)CN(C(=O)C(=O)c2ccccc2)CC1=O 14535352 YTQSSYOBPSATPY-FQEVSTJZSA-N 412.461 2.673 0 50 HFAA CSc1ncc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)cn1 14981149 YTLGIHZERPEQFL-KRWDZBQOSA-N 406.577 2.530 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 15073060 BNYYTKANVICBDJ-OAHLLOKOSA-N 417.893 2.791 0 50 HFAA O=C(NCc1ccon1)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 15073890 ZHLKCROGWOCPGI-FQEVSTJZSA-N 408.546 2.635 0 50 HFAA COc1cc(Cl)ccc1OCc1cc(C(=O)NCC(C)(C)N2CCOCC2)no1 19835691 OBPAOULTANNRFC-UHFFFAOYSA-N 423.897 2.756 0 50 HFAA O=C(N[C@H](O)C(Br)(Br)Br)c1ccccc1 71769931 CSEMIJCRRLPIGW-MRVPVSSYSA-N 401.880 2.573 0 50 HFAA COc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)N2 169764129 CNAKSOKZTLFSJM-UHFFFAOYSA-N 412.465 2.820 0 50 HFAA Cc1ccc(CNC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1 169773436 XJIYSILXHLULJQ-UHFFFAOYSA-N 407.470 2.526 0 50 HFAA CCCC[C@H]1CN(CC(=O)NC[C@H]2CCN(CCOC)C2)Cc2ccccc2O1 244758090 OSFLDXAZVINGPV-CTNGQTDRSA-N 403.567 2.524 0 50 HFAA O=C(CCOCC1CC1)N1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952891819 CKVVJYHYOAUQGX-SFHVURJKSA-N 410.396 2.981 0 50 HFAA CC(C)(C(=O)N1CCC(CNC(=O)COc2ccc(F)cc2)CC1)n1cccc1 952967174 AMCDSUXJMMJIHE-UHFFFAOYSA-N 401.482 2.796 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 1704337321 QMFQFLLMBNOGNX-UHFFFAOYSA-N 407.518 2.856 0 50 HFAA CCNC(=O)N1CCC2(CC1)OCCc1cc(OCc3nc(CC)no3)ccc12 1857671263 RIAHGWJGWPAMKP-UHFFFAOYSA-N 400.479 2.804 0 50 HFAA C[C@@H](C1CC1)N1C[C@H](C(=O)Nc2nc3cc(Br)ccc3n2C)CC1=O 2325826656 ITLGISCYTGDMNT-CMPLNLGQSA-N 405.296 2.921 0 50 HFAA O=C(NC[C@@H]1CCC2(CCNCC2)CO1)c1c[nH]c2ncc(Br)cc12 2325854751 SOAQTPUFJMBRGS-ZDUSSCGKSA-N 407.312 2.604 0 50 HFAA COC(=O)c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C 710273 YMBHSDDBMVPBOG-UHFFFAOYSA-N 407.444 2.828 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 791771 RUBTYKXXGLZEJQ-OAHLLOKOSA-N 402.472 2.763 0 50 HFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 818509 PUVYWALWSNLODQ-HNNXBMFYSA-N 419.478 2.824 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1C 4413929 QQHUKUNHDXVQJG-UHFFFAOYSA-N 417.531 2.506 0 50 HFAA COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 4833781 PPUGQVXXRSNFJR-INIZCTEOSA-N 420.531 2.526 0 50 HFAA C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 4954523 YTDZKSCQSJXIAA-HOCLYGCPSA-N 401.536 2.532 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)n(C)n4)C3)C2)c1OC 11944542 HXHFTNQZZFQGFB-QHCPKHFHSA-N 412.534 2.874 0 50 HFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4n[nH]c5c4CCC5)C3)C2=O)c1 12315816 MENWFPDBZRPPAT-QHCPKHFHSA-N 408.502 2.562 0 50 HFAA COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCOCC4)c3C3CC3)n2)c1 12457233 NZVOVDLCIWQYHE-UHFFFAOYSA-N 405.458 2.688 0 50 HFAA O=C(NCc1ccccn1)C1CCN(C2CCN(C(=O)C3=CCCCC3)CC2)CC1 12460123 IJSGUNAPOYBCBI-UHFFFAOYSA-N 410.562 2.901 0 50 HFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@H]4CCOC4)c3C)n2)c1 14990400 LYLYYKYXXICFAV-HNNXBMFYSA-N 423.473 2.516 0 50 HFAA CCCN1CCC(N2C[C@@H](NCc3ccc(SC)cc3)C[C@H]2C(=O)NCC)CC1 19301020 IEVBPYZDIFKIMX-UGKGYDQZSA-N 418.651 2.952 0 50 HFAA OCCOc1ccccc1CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 19607697 ADVVUGZFQNECJE-NRFANRHFSA-N 413.537 2.983 0 50 HFAA OCC[C@H]1CN(C2CCN(Cc3ccccn3)CC2)CCN1Cc1cccs1 20204681 YUVWROUGOGHZCQ-NRFANRHFSA-N 400.592 2.676 0 50 HFAA O=C(O)c1cccc(-c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)c1 67965277 VWTZIYJVHQRVRV-UHFFFAOYSA-N 403.442 2.589 0 50 HFAA Cc1cc(C)cc(CCC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)c1 91656610 LVLDFOCOTDSLBI-RTWAWAEBSA-N 402.535 2.650 0 50 HFAA CC(=O)Nc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)c1 169779762 BORMRQIKEADRCZ-UHFFFAOYSA-N 419.485 2.847 0 50 HFAA CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 252515023 FVLRNGPGMMRJAP-CZUORRHYSA-N 412.870 2.947 0 50 HFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 328594954 GPZUNFDMGAAZIL-IRXDYDNUSA-N 408.424 2.933 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc3[nH]ccc23)C1 1857688332 DIMYYHGWUXCHPA-TYBLODHISA-N 424.589 2.997 0 50 HFAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1OC 1857704033 AODAWOYBQFHVAZ-SFHVURJKSA-N 411.502 2.875 0 50 HFAA COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)ccc1C 1875335753 FUZJJKMLFOLIIY-UHFFFAOYSA-N 411.443 2.849 0 50 HFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2sccc2Cl)CC1=O 2325819819 QUOPFLHSHQDWJH-YPMHNXCESA-N 412.920 2.816 0 50 HFAA Nc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)n1 2356144628 GMMCDLMRTOTXCQ-LQWHRVPQSA-N 400.482 2.869 0 50 HFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)c1OC 4113556 LXDLUGBBUIECNR-IBGZPJMESA-N 412.442 2.954 0 50 HFAA O=c1cc(-c2ccc(F)cc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 4818159 VDKJOHIOZZABDT-UHFFFAOYSA-N 408.433 2.627 0 50 HFAA Cc1nnc(SCC(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 11661877 PREOAACBLPFIPT-AWEZNQCLSA-N 406.533 2.813 0 50 HFAA Cc1ccc(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c(C)c1 12331703 HLQBFABJXXMLQI-UHFFFAOYSA-N 400.544 2.812 0 50 HFAA CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)NCc1ccccc1 13914399 XNFOLQVAFVZMSM-WQRHYEAKSA-N 411.483 2.919 0 50 HFAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ocnc3C)C2)c1 14534166 JUYRYLPRFAREGW-LJQANCHMSA-N 415.490 2.517 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN([C@H](C)CSC)CC2 14749729 DCLBVHFBQMMUDO-GOSISDBHSA-N 419.591 2.726 0 50 HFAA NC(=O)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 14967918 SUKKHFVHJGQEET-QGZVFWFLSA-N 404.470 2.965 0 50 HFAA CCc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 19835679 YKGGNNWOARGCQL-UHFFFAOYSA-N 418.545 2.543 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860261 NIQLZDAOGAQLRJ-QGZVFWFLSA-N 407.923 2.593 0 50 HFAA O=C(c1cccnc1)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777579 MBXOETGAZRJUSF-KRWDZBQOSA-N 401.430 2.867 0 50 HFAA COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(F)cc(Br)c2O)c1 170606235 RTCFOUFFZXNDFM-AWEZNQCLSA-N 414.227 2.774 0 50 HFAA O=C1NC2(CCSCC2)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 170621010 VZECLNSNWZQHNX-LLVKDONJSA-N 405.303 2.551 0 50 HFAA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 225624378 UKYAFHUFLDSEGQ-DCLXLUIPSA-N 412.530 2.930 0 50 HFAA CN1CCN([C@H](c2ccccc2OC(F)(F)F)c2sc3ncnn3c2O)CC1 252497046 PXXVXFXDYKMCFD-CYBMUJFWSA-N 413.425 2.732 0 50 HFAA O=C(c1cnc2ccccc2n1)N1CCCN(Cc2ccc3c(c2)OCCO3)CC1 1775983389 LOQXLRKJLVNQBF-UHFFFAOYSA-N 404.470 2.749 0 50 HFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cc2c(nc1OC)CN(C1CCCC1)C2=O 1857677242 SSJRMOIBAIGYMZ-YWBKXGLFSA-N 413.518 2.754 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(C)n1)C2 1857689942 PRAWOKISEZGOTM-UNWVZKJWSA-N 401.551 2.646 0 50 HFAA C[C@H](C(=O)N1CCC2(CC1)CC(=O)N(CC1CCCCC1)CCO2)n1cccn1 1857691703 XEWYJAQZFSXSEG-GOSISDBHSA-N 402.539 2.635 0 50 HFAA Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)C2)cc1 1857715900 NKUDUXUYROOZEJ-AWEZNQCLSA-N 400.504 2.613 0 50 HFAA Cc1noc2nc3c(c(C(=O)N[C@H]4C[C@H]5CO[C@@H](c6ccccc6)CN5C4)c12)CCC3 1857733341 GGPVTQFZHGONKW-ABSDTBQOSA-N 418.497 2.964 0 50 HFAA CC1(C)C[C@@H](CC(N)=O)N(c2ncnc3ccc(I)cc23)C1 2325854734 RWKMBQSLXPSOJY-LLVKDONJSA-N 410.259 2.715 0 50 HFAA COC(=O)CN1C=C(C(=O)OC)C(c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1 1102589 LERSMXLPISMMNY-UHFFFAOYSA-N 414.241 2.679 0 50 HFAA CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 4689441 BSDFIWKZXGOOMK-IBGZPJMESA-N 401.463 2.509 0 50 HFAA COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 4941625 DLOPFBZPHRVBDH-UHFFFAOYSA-N 408.483 2.883 0 50 HFAA COc1ccc(CNCc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)cc1 11819623 LBRLNPWXTNFQAS-GASCZTMLSA-N 414.531 2.944 0 50 HFAA CCCN1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 11951797 RODHAJJLZCTLEZ-QHCPKHFHSA-N 422.573 2.521 0 50 HFAA COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2ccc4c(c2)OCO4)C3)nn1 11995960 LCHBUAZIFOMGST-MRXNPFEDSA-N 419.437 2.543 0 50 HFAA Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 12048392 TYFYSHNRQQFEOQ-PBHICJAKSA-N 407.495 2.970 0 50 HFAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(CO)o3)CC2)c1 12057474 MQIXMZBMFNWMFK-UHFFFAOYSA-N 400.475 2.716 0 50 HFAA Cc1nc(CC(=O)NC[C@@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cs1 12097496 JZXJBHDFMQLXGL-IBGZPJMESA-N 400.548 2.719 0 50 HFAA CN(Cc1ccoc1)Cc1cccc(OC2CCN(C(=O)Cn3cncn3)CC2)c1 12149294 MUMXBTJZMYAIBB-UHFFFAOYSA-N 409.490 2.573 0 50 HFAA CSc1ccccc1OCc1cc(C(=O)NCCN2CCCC[C@@H]2CO)no1 12303357 RATYULYSXFFSRP-OAHLLOKOSA-N 405.520 2.552 0 50 HFAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 12323160 XTVNMDBTAVEGKV-OAQYLSRUSA-N 410.495 2.629 0 50 HFAA O=C(NC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1)c1ccc(-c2ccccc2)cc1 12454175 XKDKTJHRISWYTR-SFHVURJKSA-N 421.497 2.774 0 50 HFAA Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)s1 12570584 AYTSAAIEWRLQGF-ZDUSSCGKSA-N 405.501 2.789 0 50 HFAA COCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1CCCc1ccccc1 14986473 RVAPFYNJVANOMB-UHFFFAOYSA-N 422.529 2.953 0 50 HFAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(OC)c1 15004378 LCPAIAKKVOMCJJ-GOSISDBHSA-N 413.522 2.805 0 50 HFAA COc1ccc(OC)c(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1 15004622 MCDPQZUOIJWQBR-GOSISDBHSA-N 413.522 2.805 0 50 HFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(CC(=O)N(C)C)CC1 20993656 JWKNTZIPMLPCRS-UHFFFAOYSA-N 410.440 2.875 0 50 HFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nn2)n1 67620615 MKFDHKOCNFXWCP-UHFFFAOYSA-N 413.432 2.911 0 50 HFAA NCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1 82106922 VWZISELRCJTGMF-HSZRJFAPSA-N 412.622 2.603 0 50 HFAA CN(Cc1nccs1)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82156772 WZWKKWOAWPIJJI-IBGZPJMESA-N 413.591 2.873 0 50 HFAA COc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)c1 169757919 TZGXTAVXWHXIJZ-HXUWFJFHSA-N 407.426 2.520 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(F)cc4)ccn3n2)cc1 169775855 SXYRNUXCYCFKOD-UHFFFAOYSA-N 420.444 2.670 0 50 HFAA C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)c1cccs1 229691539 DHECTTNCXYEPLT-WRWLIDTKSA-N 413.543 2.765 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239425890 VKYHQOHLAXSXHV-QIXRLVSCSA-N 422.481 2.634 0 50 HFAA C[C@H]1CC[S@](=O)CCN1c1ncnc2ccc(I)cc12 241961308 URHZEGMIWWXVMM-FVINQWEUSA-N 401.273 2.582 0 50 HFAA CCC[C@H](C(=O)OCC)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 242197040 XHGTWSFVYCJASJ-UHIISALHSA-N 405.875 2.760 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC)C(=O)OC 253483619 HUGIRZIBRUGHOD-BOFPYLFWSA-N 400.479 2.663 0 50 HFAA Cc1nc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cs1 299792081 FICDOVBETDHCBZ-HXUWFJFHSA-N 419.522 2.861 0 50 HFAA COc1ccc(-c2cc(=NC(=O)c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158523 SSWSZLHQVNFMQW-QGZVFWFLSA-N 411.483 2.593 0 50 HFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc21 478766997 DEMBROQFWYONNK-QFIPXVFZSA-N 412.511 2.806 0 50 HFAA COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCO[C@@H](C(=O)O)C2)c1 485822387 MGZYIUQYUALWJM-HXUWFJFHSA-N 421.453 2.533 0 50 HFAA COc1cccc2c1OC[C@H](C(=O)NCCc1nc(O)c3c(C)c(C)sc3n1)C2 670446899 OQKKYWJHNBRWSS-CQSZACIVSA-N 413.499 2.932 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2nc3ccc(Cl)cn3c2F)cc1 670452212 HYZNTHKNZPMBLD-UHFFFAOYSA-N 424.885 2.534 0 50 HFAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1nc2ccc(Cl)cn2c1F 825577538 SKJOFLDOQJXJNG-ORMMXULVSA-N 415.860 2.591 0 50 HFAA Cc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5nc[nH]c5c4)C3)C2)c1 1778505959 AAICSZYFRIZFQX-XMMPIXPASA-N 418.497 2.558 0 50 HFAA Cc1ccc(F)cc1CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccc(S(C)(=O)=O)cc1 1857685240 FIRPKDSWXMJRFB-SFTDATJTSA-N 416.518 2.913 0 50 HFAA CNc1cncc(C(=O)N2CC[C@]3(CCCCN(C(=O)c4n[nH]c(C)c4C)C3)C2)c1 1875322007 FMLKNZLLNMKZBN-QFIPXVFZSA-N 410.522 2.622 0 50 HFAA CN(C)CCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 754370 COQJAYXSIWTZHL-UHFFFAOYSA-N 409.515 2.951 0 50 HFAA CCCCc1nc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)c[nH]1 11662171 RCRULBFGAUDSGM-KRWDZBQOSA-N 420.579 2.951 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11698022 RJRWJALXPGTGEO-UHFFFAOYSA-N 424.530 2.689 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cnc(N(C)C)s2)CC1 11949417 NHFGJZCBKVARLN-GOSISDBHSA-N 407.628 2.802 0 50 HFAA COc1ccc(OC)c(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 12128655 USSGPSLVIQDOEJ-SFHVURJKSA-N 413.522 2.759 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCCc2ccc(F)cc2)c1=O 12282889 IWCQQSZNDHTJSC-UHFFFAOYSA-N 421.472 2.562 0 50 HFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 12381053 NSYGYLMIZPEDOH-FWVBMKIOSA-N 416.249 2.761 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 13115942 JLYNOMVNFPMSSJ-RLFYNMQTSA-N 412.339 2.938 0 50 HFAA C/C=C(\C)CN1C[C@H](NC(=O)c2cccc(Cn3nc(C)cc3C)c2)C[C@H]1C(=O)OC 14950871 YFFPKPOEUCVMFW-OJEMIXIOSA-N 424.545 2.860 0 50 HFAA CCn1ncc(CN2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1C 19225633 ACAIDCMXUFJIAU-UHFFFAOYSA-N 424.593 2.599 0 50 HFAA COc1cccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C[C@H]2CCO)c1 36385837 UVRSFFLPACHPEJ-HXUWFJFHSA-N 400.519 2.781 0 50 HFAA C[C@@H]1CN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)CCN1 82161734 PJQIGTHEJZZGGI-OAQYLSRUSA-N 412.622 2.616 0 50 HFAA Cc1ccccc1OCC(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91656996 QCXUERRZAVKRKB-LJQANCHMSA-N 400.519 2.784 0 50 HFAA O=C(c1c(O)c2cccc3c2n(c1=O)CCC3)N1CCN(Cc2ccccc2)CC1 100662831 XDRIDZHGSGZDPJ-UHFFFAOYSA-N 403.482 2.611 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777750 RGJSLJRBKGKKED-ZBFHGGJFSA-N 408.462 2.837 0 50 HFAA CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCNCC4)c3)ncc21 219417128 LKOFXMLMYKWELM-UHFFFAOYSA-N 404.478 2.699 0 50 HFAA O=C(CN1CCC[C@H]1Cc1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 241774151 RNLYUYWZMJTODA-SFTDATJTSA-N 404.576 2.652 0 50 HFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@H]3[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)c2)n1 477130746 YGQPWRMNUVLJPR-LSXJTLHRSA-N 418.497 2.659 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O 824819751 HWQFADAGNWOAPB-IBGZPJMESA-N 404.470 2.546 0 50 HFAA CSc1ccc(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCc2cccs2)cc1 824936689 HUAHZCLEZWEHIG-YJBOKZPZSA-N 414.560 2.589 0 50 HFAA CC(C)c1nnc(N2C[C@H](C(=O)N(C)CCCN3CCCCCC3)CC2=O)s1 1857728232 SIUXQBDMDIFTCI-MRXNPFEDSA-N 407.584 2.739 0 50 HFAA COc1c(C(=O)O)cc(-c2ccc(-n3nnc(C(=O)O)c3C)cc2)c(OC)c1OC 1875246684 JRQGBMBRHGTXDI-UHFFFAOYSA-N 413.386 2.665 0 50 HFAA CCN(C)c1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(C(=O)CCOC)C1 1875247166 YEAQQCGCOCYNCF-HSZRJFAPSA-N 409.534 2.838 0 50 HFAA COc1ccc([C@@H]2C[C@@H](C)N(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)C2)cc1 1875259722 LCPRSXJNQWRGFB-GDBMZVCRSA-N 407.470 2.738 0 50 HFAA CS(=O)(=O)NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 1875391106 LGWJYJJPXIDUOA-UHFFFAOYSA-N 407.801 2.723 0 50 HFAA COc1ccc([C@@H]2[C@@H](c3nc(C)nn3CC(F)(F)F)OCC(=O)N2C2CC2)cc1 2356146955 BMTXNOOFPYSHIC-SJORKVTESA-N 410.396 2.961 0 50 HFAA CCCCOc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCC(=O)O)cc1 4802223 CXPIFLZDLARQDJ-NBVRZTHBSA-N 400.431 2.820 0 50 HFAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1O 5102293 JYIVTKMQVHTHCT-GFCCVEGCSA-N 401.282 2.519 0 50 HFAA C[C@@H](NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)c1ncn[nH]1 11771232 XUOOUWXYGAWLCB-OAHLLOKOSA-N 417.517 2.844 0 50 HFAA O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)CN1CCCc1ccccc1 11812696 GJGISWLUFBNBCK-CTNGQTDRSA-N 424.936 2.891 0 50 HFAA CCCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2 11882256 OIRSLISSIRHCKT-QWNKOJSDSA-N 416.518 2.680 0 50 HFAA O=C1c2cccc(N3CCN(C[C@@H]4CC=CCC4)CC3)c2C(=O)N1CCn1cccn1 12152213 KIIGJUWADWUONC-LJQANCHMSA-N 419.529 2.658 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CCc3ccco3)C2)c1 12204303 WVSMGCBZRWMKGX-INIZCTEOSA-N 400.475 2.898 0 50 HFAA O[C@H](c1ccccn1)C1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 12308055 MKJVLFJVJAQSBZ-KRWDZBQOSA-N 409.494 2.738 0 50 HFAA COc1cc(C(=O)NC2Cc3ccccc3C2)ccc1OC1CCN(C(C)=O)CC1 12315668 KHVBQHHEKVKKRW-UHFFFAOYSA-N 408.498 2.982 0 50 HFAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCSCC2)c1 15066646 GMGAEPAFUBJKRX-UHFFFAOYSA-N 405.564 2.928 0 50 HFAA CCNS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 17083033 JDFCKRJSERPCCJ-UHFFFAOYSA-N 404.561 2.504 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 169689178 BLUSYAKAHOJHAT-ZENOOKHLSA-N 414.361 2.581 0 50 HFAA COCCOC(=O)c1sc2nc([C@@H]3COc4ccccc4O3)[nH]c(=O)c2c1C 170616534 OMVRHWMZYLWXKC-ZDUSSCGKSA-N 402.428 2.609 0 50 HFAA COCC[C@@H](CO)NC(=O)c1cccnc1Oc1ccc(F)cc1Br 225624872 RWNGYFMOJRQNEM-LBPRGKRZSA-N 413.243 2.903 0 50 HFAA COc1ccnc(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)c1OC 225665861 BJSIKMDAHDCBDM-UHFFFAOYSA-N 409.851 2.917 0 50 HFAA COc1ccc(N2C(=O)[C@H](CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)N=C2O)cc1 252478925 AXJMSSUUSSSWEE-UGSOOPFHSA-N 421.457 2.858 0 50 HFAA CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)CN2CCCCC2)c(C)o1 299765253 DHRJDBRYIMYDBJ-UHFFFAOYSA-N 420.535 2.514 0 50 HFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1 952978792 SQGAIWBZQCPARX-UHFFFAOYSA-N 401.430 2.753 0 50 HFAA Cc1ccc(-c2cc(C(=O)Nc3nnc(SCC(=O)N(C)C)s3)n[nH]2)s1 1506415838 QIYJABGOXOAHOU-UHFFFAOYSA-N 408.534 2.731 0 50 HFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc2sc3c(c2c1)CCNC3=O 1704356590 ZWYJFQBGWVLOCX-CRAIPNDOSA-N 407.495 2.570 0 50 HFAA Cc1ccc(C(N)=O)c(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857671599 KMFQWTBPTICSGB-QHCPKHFHSA-N 416.485 2.531 0 50 HFAA C[C@]1(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)NC(=O)NC1=O 1875330609 VIKIRKUYCBOBNM-KPZWWZAWSA-N 410.396 2.571 0 50 HFAA O=C(NCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 1794726 FLYILVFZVOXZDO-UHFFFAOYSA-N 406.030 2.557 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 4098923 ISCQYPPCSYRZOT-BKTGTZMESA-N 412.394 2.559 0 50 HFAA biogenic,in-vitro C[C@@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 4770441 VDNNOHFMVQUDRY-IERDGZPVSA-N 400.500 2.964 0 50 HFAA COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 4810835 BVPBMEXSDNTZKR-FQEVSTJZSA-N 408.454 2.996 0 50 HFAA COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 4867523 NYMYYSATUSDLDU-HNNXBMFYSA-N 404.488 2.743 0 50 HFAA CCOC(=O)c1ccc(Oc2nc(N(CC)CC)nc(N3CCOCC3)n2)cc1 4867964 UGXGPTZUZSYMFE-UHFFFAOYSA-N 401.467 2.523 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697925 CAVLIBFNHVANNZ-UHFFFAOYSA-N 404.474 2.976 0 50 HFAA COC(=O)c1cc(CNC(=O)C2CC2)cc(NS(=O)(=O)c2ccccc2Cl)c1 11912282 OSWJZQNCCCBXDQ-UHFFFAOYSA-N 422.890 2.954 0 50 HFAA C[C@@H](Sc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C)C(=O)NC(C)(C)C 12383981 GMCQIHWGPLSJIU-VXGBXAGGSA-N 407.515 2.841 0 50 HFAA CC(=O)NCCNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 14887180 WMLRRXQUAKRZNM-UHFFFAOYSA-N 424.530 2.751 0 50 HFAA COC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 17082649 CHJDTDZDRVWYCF-CYBMUJFWSA-N 403.456 2.847 0 50 HFAA COC(=O)c1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1 19227794 QRZORTGVMOTPIG-UHFFFAOYSA-N 409.442 2.988 0 50 HFAA Cc1cc(CNC(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)n[nH]1 82091588 AMIAABFNFJQKSX-NRFANRHFSA-N 409.578 2.753 0 50 HFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(c4ccnc(SC)n4)C[C@H]32)cc1 206789405 HWDJPLWHRSHFPR-SJORKVTESA-N 400.504 2.849 0 50 HFAA C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@@H](C)O1 229718252 CDZJPQDNQHEVBY-OAGGEKHMSA-N 407.942 2.697 0 50 HFAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)C1=O 252444161 HDOISSPFFFPQIN-VBKZILBWSA-N 415.519 2.575 0 50 HFAA CCOC(=O)c1csc(CCNC(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)n1 299769430 NFIYJUOZOIIJDE-INIZCTEOSA-N 405.451 2.505 0 50 HFAA C[C@@]1(C2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)NC(=O)NC1=O 467514792 SUQFIJRWKMEEHH-QFIPXVFZSA-N 409.511 2.964 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)C1 726176863 GVSBBHAXNVHNNY-KRWDZBQOSA-N 412.421 2.819 0 50 HFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 1506412497 DOJUPOJZTBQBBK-LJQANCHMSA-N 403.486 2.930 0 50 HFAA COc1ccc(CNC(=O)C2CCN(C(=O)CN3Cc4ccccc4C3)CC2)cc1 1506423364 WIYFTFNWWJFKTK-UHFFFAOYSA-N 407.514 2.566 0 50 HFAA COCCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cc(-c2ccc(Cl)cc2)no1 1857683110 CJZCACXAWQMSIX-ROUUACIJSA-N 403.866 2.733 0 50 HFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCc4[nH]nc(C5CC5)c4CC3)o2)c1C 1857710947 CKYUZRBMQNOCNH-UHFFFAOYSA-N 401.492 2.677 0 50 HFAA CC[C@@H](c1ccc(F)cc1F)N1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)O)CC1 1875258520 UASVYGSSXOCBOP-OALUTQOASA-N 411.493 2.649 0 50 HFAA CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)c(F)c2F)s1 2325874320 IIQOTSUCHKMGSM-ZCFIWIBFSA-N 422.406 2.862 0 50 HFAA COc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1OC 779539 BZCVKAZXZWZULN-UHFFFAOYSA-N 418.877 2.964 0 50 HFAA biogenic,in-vitro Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)c1 2838347 XWCYRCKPNCXOSI-GFCCVEGCSA-N 416.532 2.802 0 50 HFAA Cc1cnc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 11204899 BEMJAFOMTMYIOM-UHFFFAOYSA-N 411.413 2.763 0 50 HFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC2CCCCC2)c1 11817035 WLOWFPONAZJCGD-OAQYLSRUSA-N 406.567 2.562 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CCc2ccccn2)n1CCOC 11819320 NUBMHWCXYPPXNJ-LJQANCHMSA-N 420.579 2.705 0 50 HFAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 19879575 MCKGCKSVZDJKCJ-FQEVSTJZSA-N 402.466 2.599 0 50 HFAA COc1ccc(F)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 20210768 PZDUSVDCVSXEHO-AWEZNQCLSA-N 413.453 2.568 0 50 HFAA Cc1ccc(S(=O)(=O)c2nc(NCCN3CCOCC3)sc2Cl)cc1 20639259 FCRXLPFUEPVGNC-UHFFFAOYSA-N 401.941 2.682 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)CC1 22920162 ONLQRBXUXXDLGJ-DEOSSOPVSA-N 411.594 2.614 0 50 HFAA Cc1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169777958 DGVOLKPGQIXLAU-GFCCVEGCSA-N 408.340 2.622 0 50 HFAA C[C@@H](CO)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 253414597 XXURVDNMFZAWGU-ZDUSSCGKSA-N 415.486 2.651 0 50 HFAA biogenic O=C(c1ccc(O)nc1)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 426513463 APVRJJUVTYSYGI-NRFANRHFSA-N 401.413 2.720 0 50 HFAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 483586403 WOWDHIMXPHDUDW-QFBILLFUSA-N 419.485 2.563 0 50 HFAA CC(C)c1ccc(N2CC[C@H](C(=O)OCc3cc(=O)n4ccccc4n3)C2=O)cc1 744055395 BSGNCSTTZGEPEZ-IBGZPJMESA-N 405.454 2.914 0 50 HFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1CCCN1Cc1ccccc1 828108561 DUJILAYHLOWQAJ-QFIPXVFZSA-N 423.513 2.527 0 50 HFAA Cc1ncsc1C(=O)NCC1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 952983237 OXLRTUMMMAIIKU-CQSZACIVSA-N 404.561 2.996 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615739975 PNSQQNYJSZJGDF-CYFREDJKSA-N 417.509 2.747 0 50 HFAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCc2nc(-c3ccccc3F)no2)o1 1857526930 RJEAWLGQJADJEP-UHFFFAOYSA-N 401.394 2.827 0 50 HFAA CCOC(=O)Cc1cncnc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857709460 YSHRQTXAOQHHJT-WOJBJXKFSA-N 411.502 2.834 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCC4CCOCC4)CC3=O)sc2c1 1857709858 VHENILMZQOLHFM-CQSZACIVSA-N 403.504 2.591 0 50 HFAA O=C([C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CC(c2ccncc2)C1 1857716219 CBMBXZMPBADNAJ-KRWDZBQOSA-N 419.510 2.503 0 50 HFAA O=C(CCCN1CCOC1=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 1875255554 XOCZMHKWZPGTKP-UHFFFAOYSA-N 421.450 2.797 0 50 HFAA O=C(NCC[C@@H]1COc2ccccc2O1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 1875261223 OFFHKXOJJKDSPA-ZWKOTPCHSA-N 421.501 2.924 0 50 HFAA O=C(CCC(=O)c1ccc[nH]1)NC1CCC(NC(=O)CCC(=O)c2ccc[nH]2)CC1 2325690976 GJYSOZVYHIIWHG-UHFFFAOYSA-N 412.490 2.512 0 50 HFAA Cc1ncc(CO)c(CS[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1O 2325879869 KPLPXHDCKYDUTL-VQIMIIECSA-N 415.559 2.600 0 50 HFAA CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 2974195 KJVFQLVWOAZHEV-UHFFFAOYSA-N 415.471 2.775 0 50 HFAA COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl 3137345 QPWSZHDZGHMWLV-LLVKDONJSA-N 416.689 2.542 0 50 HFAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(CS(=O)(=O)c2ccccc2)no1 4744955 ZWCPKJAVZHVZBK-UHFFFAOYSA-N 415.515 2.990 0 50 HFAA COc1ccc(NC(=O)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1OC 4784069 OZBDDOWSISNRCK-UHFFFAOYSA-N 411.502 2.945 0 50 HFAA COc1cccc2c1OCCCN(C(=O)[C@@H]1CCC(=O)N(Cc3ccccn3)C1)C2 12308337 CUVAODYXZJQOQF-GOSISDBHSA-N 409.486 2.640 0 50 HFAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCCCn2cccn2)cc1 12836505 FUWTZWIQWOHVOD-QHCPKHFHSA-N 408.546 2.935 0 50 HFAA Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)Cn2cncn2)CC3)cc1 14959448 JUEWVTUEDJOGIS-UHFFFAOYSA-N 403.486 2.743 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1Cc1ccccc1 20780689 JDMGXFXOJRWUMV-FPOVZHCZSA-N 401.938 2.835 0 50 HFAA CN1CCN(CCC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 20996001 BDDUBLPYFNTXFP-QGZVFWFLSA-N 411.468 2.764 0 50 HFAA CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65365884 WQPRDKNZUZSCFC-SFHVURJKSA-N 418.501 2.844 0 50 HFAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)N[C@@H](C)C3CC3)c2=O)cc1 77406047 GXLKYCXVHAHNHD-INIZCTEOSA-N 406.486 2.548 0 50 HFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 241171094 KECRBQSLRSSVBS-ROUUACIJSA-N 403.504 2.638 0 50 HFAA O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cnn([C@H]2CCOC2)c1 241644732 PSYNOPMRPBHUOB-LBPRGKRZSA-N 408.480 2.586 0 50 HFAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3ccc(OC)cc3)n2)CC1 952895347 ZYTHJVALYGAYQN-XLIONFOSSA-N 415.534 2.744 0 50 HFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCC[C@H](Cn2ccnc2)C1 2356137446 YGRPSSSZXFPCIB-MRXNPFEDSA-N 400.548 2.648 0 50 HFAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1109998 RCKVALIZFQTEJH-OAHLLOKOSA-N 406.529 2.827 0 50 HFAA CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1120116 QHPUYZWGXPMQGN-UHFFFAOYSA-N 419.528 2.719 0 50 HFAA Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1 6269787 SBJGJDKDCCCYDT-CXUHLZMHSA-N 402.453 2.673 0 50 HFAA Cc1cccc(C)c1O[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 8163385 YJBXSHSKNATVHS-IEBWSBKVSA-N 416.518 2.664 0 50 HFAA CCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12057200 YSXRSCAHOSYVJE-UHFFFAOYSA-N 410.518 2.825 0 50 HFAA NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 13628263 IDTNNRVXVUPSGV-GDBMZVCRSA-N 421.423 2.881 0 50 HFAA COc1ccccc1CNC(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14541383 CFKLWVIMNSUJOA-VQTJNVASSA-N 407.514 2.665 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1F)C2 14743569 ZCKCNRCEJPTPSL-HNNXBMFYSA-N 406.502 2.534 0 50 HFAA O=C(NCCCCCN1CCOCC1)c1cn(Cc2cccc3ccccc23)nn1 20204391 UAMLMMGEXPYXDX-UHFFFAOYSA-N 407.518 2.712 0 50 HFAA O=C(c1ccccc1-n1cccn1)N1CCOc2ccc(CN3CCOCC3)cc2C1 20910282 RVQPPVPDBXUUPX-UHFFFAOYSA-N 418.497 2.739 0 50 HFAA CO[C@@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O 34632632 HFRCAKXUSHNVLY-IBGZPJMESA-N 407.488 2.712 0 50 HFAA Cn1ncc(Br)c1CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 225612092 VFVADLLNWDATJM-ZDUSSCGKSA-N 401.667 2.870 0 50 HFAA CCOC(=O)c1ncn(C2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c1N 242088023 WBGHOXDYQJUALC-UHFFFAOYSA-N 417.466 2.528 0 50 HFAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCCc1nc2ccccc2[nH]1 252510161 ZCQZIARRXBVAET-KRWDZBQOSA-N 408.502 2.883 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(OC)cc(OC)c4)c3CO2)cc1 263618693 UZXCSIXVGOMZIG-IBGZPJMESA-N 410.430 2.828 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cc(F)ccc4F)c3CO2)cc1 263619102 WYHRGGLBQSZPGS-GOSISDBHSA-N 400.385 2.766 0 50 HFAA Cc1cc(=NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159229 NRZFJAUNXGCXHZ-QFBILLFUSA-N 403.548 2.914 0 50 HFAA CCc1coc(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)n1 408516049 GVPORPHSWMMTBS-UHFFFAOYSA-N 418.475 2.774 0 50 HFAA CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)n2)cc1 468606414 GGXFZFWSSYBWIU-CQSZACIVSA-N 410.396 2.594 0 50 HFAA COc1cccc([C@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)c1OC 952966884 HCZXMCNKCDZIFP-INIZCTEOSA-N 403.500 2.666 0 50 HFAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)CCn5c(C)nc6ccccc65)(C4)C2)C3)n1 952991513 YZJJRILMRILWFA-FFACFXHASA-N 419.533 2.894 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 1704313251 IZOTXSCVSGOFCA-NRFANRHFSA-N 401.530 2.975 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C)s2)CC[C@@H]1NC(=O)c1cn[nH]c1 1857684103 ZEKPNFDGTASJHR-WBAXXEDZSA-N 404.536 2.790 0 50 HFAA Cc1nc[nH]c1C(=O)NC[C@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@]23CC[C@H]1O3 1857729440 AWDHQRBWRUKYHI-XKGFGPFHSA-N 400.910 2.781 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 1875256756 FSZOLPLFFZSMLR-IBGZPJMESA-N 404.474 2.894 0 50 HFAA COc1ccc2c(c1)[C@@H](C(=O)O)CN(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)C2 1875322740 FAZDEKVZYVLKCE-INIZCTEOSA-N 417.845 2.873 0 50 HFAA O=C(c1ccc(O)nn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356146551 KVCITYGBYYVFTR-SEONNTABSA-N 410.493 2.879 0 50 HFAA O=C(NCCCO)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 2953106 QDUHJKCLLSDLNL-GHRIWEEISA-N 403.276 2.719 0 50 HFAA COc1ccc(CCc2nnc(CCC(=O)NCc3cnc4ccccn34)o2)cc1 11936752 SRLOLJNHGROPOE-UHFFFAOYSA-N 405.458 2.760 0 50 HFAA COc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N(C)Cc2nonc2C)cc1 12206044 KPNLCZDGDRYOBC-MBNRZODZSA-N 424.501 2.687 0 50 HFAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cc(Cl)c(Cl)cc1Cl 13737313 BKNCRHUHCDPOBO-OAHLLOKOSA-N 420.724 2.909 0 50 HFAA O=C(NCc1ccccn1)c1cc(NCC2CC2)cc(S(=O)(=O)N2CCCC2)c1 14531683 WNUOPPLMPQKYTL-UHFFFAOYSA-N 414.531 2.618 0 50 HFAA COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 55169106 NXLWBAQHHQTQFI-SFHVURJKSA-N 406.486 2.744 0 50 HFAA CC(C)N1C[C@H](CCN(CCO)CCO)C(c2ccccc2)(c2ccccc2)C1=O 71769356 NMZZSJNIVHAGIM-QHCPKHFHSA-N 410.558 2.516 0 50 HFAA CC(C)(O)C1CCN(Cc2nc3c(N4CCOCC4)nc(Cl)nc3s2)CC1 95698509 NEHKWJPCCDEZSW-UHFFFAOYSA-N 411.959 2.559 0 50 HFAA CN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C 143366413 YNQNYIHMAZLJAV-UHFFFAOYSA-N 410.478 2.774 0 50 HFAA in-vitro CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C 169360826 AKUCMKAPHCGRFV-MQBSTWLZSA-N 412.530 2.941 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772388 SEJLYICMYLWFOX-UHFFFAOYSA-N 408.380 2.757 0 50 HFAA Nc1c(I)cnc(Br)c1I 203367134 ZRHSRMCPVHFJHN-UHFFFAOYSA-N 424.805 2.636 0 50 HFAA O=C(NCc1ccccc1Cn1cccn1)c1nc2ccc(Br)cn2n1 253429935 PEHNMDQZQHLXAJ-UHFFFAOYSA-N 411.263 2.667 0 50 HFAA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C3CC4[C@H]2[C@H]4[C@H]3[C@H]1S(=O)(=O)c1ccccc1 257358398 TZPCLZUPDDCCKU-SZXMKCQGSA-N 400.521 2.813 0 50 HFAA O=C1CCc2cc(NS(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)ccc2N1 466958611 WUCGXKMZNJGHER-ZDUSSCGKSA-N 420.462 2.927 0 50 HFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 952970179 CJTSYNFPFQUAQJ-UHFFFAOYSA-N 421.457 2.940 0 50 HFAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccccc43)CC2)NC1 1772815091 IQAFYIYIHSORCE-SFHVURJKSA-N 408.546 2.695 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCc4ccncc4)CC3=O)sc2c1 1857707946 AZJIXKYJEVBPBP-OAHLLOKOSA-N 410.499 2.802 0 50 HFAA CC(C)c1nnc(N2C[C@@H](C(=O)N(Cc3ccc(O)cc3)C3CC3)CC2=O)s1 1857714813 MYIQSAGAKSZEMO-AWEZNQCLSA-N 400.504 2.911 0 50 HFAA Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1cccnc1 1875257775 BOLSTLWPZUYNDL-QGZVFWFLSA-N 403.486 2.597 0 50 HFAA Cn1cccc(C(=O)N2CCN([C@H](COc3ccccc3)c3ccccc3)CC2)c1=O 2100482798 ZUNFFCXAOVQLOO-HSZRJFAPSA-N 417.509 2.963 0 50 HFAA O=C1C[C@@H]2CCCCN2CCCCN(C(=O)c2scc3c2OCCO3)CCCN1 2100533208 FZMBKECEYDZSDX-INIZCTEOSA-N 421.563 2.506 0 50 HFAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 852107 QWQPJHJQSPHOKJ-GOSISDBHSA-N 418.471 2.834 0 50 HFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 3978024 ITRJWOMZKQRYTA-ZGAZGHAMSA-N 402.487 2.561 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)ncn1 4749104 FRWCASPAEGUDMC-UHFFFAOYSA-N 404.473 2.908 0 50 HFAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1ccc2c(c1)OCCO2 12047864 ZDMOEGKPFLYPBC-INIZCTEOSA-N 407.401 2.787 0 50 HFAA COc1ccc(CCN2C[C@@H](C(=O)NCc3nc(C)c(C)s3)CCC2=O)cc1 12715290 GGNMYRQUCKJHMR-KRWDZBQOSA-N 401.532 2.866 0 50 HFAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c(C)c1 14740728 LKWQBUPSPKGWEX-XZOQPEGZSA-N 416.525 2.539 0 50 HFAA C[C@H](CCn1cccn1)N1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C 14749504 DQEXPQVNBXGUSH-LJQANCHMSA-N 409.534 2.633 0 50 HFAA COC[C@H](C)NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 19301102 WSGKKUPPECNCDT-FQEVSTJZSA-N 401.595 2.947 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2-c1ccccc1 20367424 YPGHJNJALLNNTB-UHFFFAOYSA-N 415.449 2.999 0 50 HFAA Cc1nn(CC(=O)N2CCN3CCC[C@@H]3C2)c2nc(C3CC3)cc(C(F)(F)F)c12 20614358 AUZOWAOIBUQUGS-CQSZACIVSA-N 407.440 2.943 0 50 HFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cc3ccccc3nc2OC)c1 71759864 FLEMHRBGUDYCCQ-UHFFFAOYSA-N 416.455 2.533 0 50 HFAA O=C1CC[C@]2(C(=O)O)N1c1ccc(Cl)cc1-c1nc(=O)c(-c3ccccc3)nn12 170620068 AGPLKNNQEURACI-FQEVSTJZSA-N 408.801 2.504 0 50 HFAA Cc1c(C(=O)Nc2nnn(Cc3cccc(F)c3)c2C)sc2ncn(C)c(=O)c12 225734772 ZVIYCEDKUYSTDV-UHFFFAOYSA-N 412.450 2.643 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C(=O)N1c1ccc(F)cc1 238923895 QDNJKBZKGZUKGQ-RDXHHOOHSA-N 400.456 2.889 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)CC1 239309760 HVKSWMNPZFZTCB-ILRDRHFLSA-N 418.515 2.569 0 50 HFAA C[C@H](CNC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)Oc1cccc(F)c1 1444910251 ZPSGJCDSYQPRLT-PZPSRYQVSA-N 401.356 2.520 0 50 HFAA Cc1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c(F)c1F 1857740311 MZXSLDUWCCCZQV-PMPSAXMXSA-N 404.461 2.629 0 50 HFAA CCOc1ccc(-n2nc([C@H]3CCCO3)nc2-c2cn([C@@H]3COC[C@@H]3F)nn2)cc1 1875349288 SKUHJVHPXQSLSL-CGTJXYLNSA-N 414.441 2.685 0 50 HFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc3nnc([C@@H]4CCCO4)n3n2)C1 2325728897 BHJFDAQFYBWFJP-HOTGVXAUSA-N 411.441 2.515 0 50 HFAA O=C(Nc1ccc(-n2cncn2)nc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 2325739330 XIMWVMCRJYJLAY-UHFFFAOYSA-N 409.416 2.589 0 50 HFAA NCc1nc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)co1 2356141224 YNTBFPWKAWEZEB-SEONNTABSA-N 412.509 2.830 0 50 HFAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1OC 4536356 FGAFIVCDSYNCEG-BEFAXECRSA-N 404.463 2.834 0 50 HFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc(C)cc1 4594061 UAHQONPZDJREDC-QGZVFWFLSA-N 407.488 2.985 0 50 HFAA CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)cc1 6999809 DIFMXBQEZFEBBB-UHFFFAOYSA-N 408.462 2.631 0 50 HFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)C1 11763110 JMVQGRIDXXSBGQ-INIZCTEOSA-N 403.914 2.700 0 50 HFAA COc1ccc(CC(=O)NC[C@@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cc1 11789107 KPLCOYFNZZGPQT-QFIPXVFZSA-N 409.530 2.963 0 50 HFAA COCC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 11842574 OYNLJCFDKREOGF-IBGZPJMESA-N 418.534 2.734 0 50 HFAA O=C(NCCc1ccccc1F)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003279 ADUDDSCXCXTTIX-UHFFFAOYSA-N 410.854 2.518 0 50 HFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCc2cc(-c3ccccc3)on2)c1=O 14993245 ZKTBKKBBTODVSF-UHFFFAOYSA-N 422.485 2.839 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCOCC1 16649807 REHPHMRXACXFQY-UHFFFAOYSA-N 410.492 2.821 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1 55042290 HEKRIJMGGPLBEH-KRWDZBQOSA-N 402.470 2.686 0 50 HFAA c1cc2c(cc1N[C@H]1CCCN(Cc3cnc(N4CCOCC4)s3)C1)OCCO2 55196167 LAHRNWGYBKBHFZ-KRWDZBQOSA-N 416.547 2.827 0 50 HFAA CC(C)n1c(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nc2ccccc21 95383474 UJAKKVCYKBKUSE-CTNGQTDRSA-N 400.567 2.912 0 50 HFAA COc1ccc(N2C(=O)C[C@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c(OC)c1 100790852 ZZNPFABBMANWPH-IAGOWNOFSA-N 400.475 2.600 0 50 HFAA CC1(C)[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[C@H]2CCO[C@H]21 230274760 NKYGDCHEYRWFFU-DJIMGWMZSA-N 406.914 2.909 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 239402599 QVFPOBYRKSJEMP-FRQCXROJSA-N 424.563 2.815 0 50 HFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)c1 247860931 VYZDKHNTTOUGJU-IPELMVKDSA-N 422.547 2.663 0 50 HFAA COc1ccc2[nH]cc(CCNC(=O)C[C@H]3N=C(O)N(Cc4ccccc4)C3=O)c2c1 252523136 BYNWPUZTNZADQJ-HXUWFJFHSA-N 420.469 2.550 0 50 HFAA O=C(Cc1cccs1)N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1 334158223 YTNHAUYYNIYYAR-OAHLLOKOSA-N 401.513 2.574 0 50 HFAA C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1323077553 KMWWSAWDWZRNSF-MCMMXHMISA-N 410.449 2.709 0 50 HFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)CCCc2nc(-c3ccncc3)no2)C1 1506425954 HTBHFYZXKVHCSY-QGZVFWFLSA-N 405.458 2.971 0 50 HFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H](CC(C)C)NC(=O)c1cccs1 1704313886 MWMCKOZHIHSHCW-INIZCTEOSA-N 405.568 2.515 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(S(=O)(=O)c3c(C)noc3C)CC1)OCC2 1704344723 XIHXUGPGBQDBGG-UHFFFAOYSA-N 422.503 2.561 0 50 HFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)cn12 1940195546 WRKXSRKXHOUXJM-GOSISDBHSA-N 406.446 2.741 0 50 HFAA Cc1ccc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(C)c1 2082945789 XKYYKOAUEIWSIN-MRXNPFEDSA-N 410.495 2.608 0 50 HFAA COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 1147408 PWQLLRATXSSDNO-UHFFFAOYSA-N 410.879 2.840 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 6096537 KSVKECXWDNCRTM-GOTSBHOMSA-N 402.494 2.748 0 50 HFAA biogenic COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnc(C)cn2)CCO3)C1 11975103 ZEAGDDXQARNTBW-LJQANCHMSA-N 410.518 2.678 0 50 HFAA COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1 19760134 RJGBHGHOJQCKGP-UHFFFAOYSA-N 421.497 2.981 0 50 HFAA OCC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CCN1Cc1cccs1 20204679 YUVWROUGOGHZCQ-OAQYLSRUSA-N 400.592 2.676 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 20450605 JOTRJVXGRKVZBP-CYBMUJFWSA-N 401.417 2.699 0 50 HFAA COc1cc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc(OC)c1 43135978 XMIMJNPQKLLHEE-OAQYLSRUSA-N 416.566 2.694 0 50 HFAA COCCN(C)CCN1CC2(CCN(c3nc4ccccc4s3)CC2)OC1=O 77339224 YFWXYROUIBPVIB-UHFFFAOYSA-N 404.536 2.666 0 50 HFAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)N3CCCC3)CC2)C1 82107998 QXAUABNZCHPPBB-NRFANRHFSA-N 412.578 2.738 0 50 HFAA O=C(C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1)c1ccccc1 95388000 XXMFEGBRVWCZKZ-VLCRHTCISA-N 404.466 2.687 0 50 HFAA COc1cc([C@H](C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1OC 100695803 YJVHSWXCBZHYQR-SFHVURJKSA-N 416.382 2.648 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2Cl)CC1 101920370 RYIIXDGTPQQLAA-ZFWWWQNUSA-N 412.939 2.767 0 50 HFAA CCc1cc2nc3c(c(CC)c2cc1O)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC 148394502 BQAJEBSARMNUPK-DEOSSOPVSA-N 420.465 2.910 0 50 HFAA in-vitro C/C=C\C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(=O)OCC 254479762 LXQZGVXJWQYGIB-QLGVYERUSA-N 423.307 2.816 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(F)c(O)c(F)c1 436637526 YXMZKQCRKZMIPU-UHFFFAOYSA-N 410.442 2.904 0 50 HFAA C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)cc2)NC(=O)NC1=O 439173362 XDNDUTGLVZZFGL-WUMKDDEVSA-N 403.482 2.652 0 50 HFAA C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ncnc(O)c2C1 476979370 DXLULFMODXUARV-SECBINFHSA-N 412.671 2.950 0 50 HFAA CCn1c(=O)c2ccccc2n(CC(=O)NC2(Cc3cccc(F)c3)CCC2)c1=O 775993333 BQJXGCRDNVCNPZ-UHFFFAOYSA-N 409.461 2.604 0 50 HFAA CCOc1ccccc1C(=O)NC[C@H]1[C@H]2CN(Cc3cc(C)no3)C[C@]23CC[C@H]1O3 1857728028 KDOUAXSTUKPFFP-KLJZETAQSA-N 411.502 2.791 0 50 HFAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cccc(Cl)c3F)C[C@H]2CO1 1857729819 UBDGNBLRXVXKCF-ILXRZTDVSA-N 406.889 2.835 0 50 HFAA O=C1CO[C@H](Cn2ccnc2-c2cccc(O)c2)CN1CC1CCN(CC2CC2)CC1 1857733502 MMGMEEWSWFHHQG-JOCHJYFZSA-N 424.545 2.605 0 50 HFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)c1OC(C)C 1075288 LWMZIZYHRKJGML-KDOFPFPSSA-N 404.463 2.833 0 50 HFAA COc1ccccc1N(C[C@H](O)CN1CCCCC1)S(=O)(=O)c1ccccc1 1215017 OFHDPDLDFGBLEM-GOSISDBHSA-N 404.532 2.737 0 50 HFAA CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCN(C(=O)OCC)C2 4335081 QHTHNMDJMKFXPP-UHFFFAOYSA-N 411.524 2.720 0 50 HFAA CCOCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 5060310 QRAJZJLVTRJGND-QGZVFWFLSA-N 420.531 2.648 0 50 HFAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C(=O)N1CCOCC1 7360467 NNEXPBSGEHMYGJ-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 9727321 RTLMBZFFZSPYRS-UHFFFAOYSA-N 409.833 2.859 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)C1 11763102 JMVQGRIDXXSBGQ-MRXNPFEDSA-N 403.914 2.700 0 50 HFAA CCc1ccc(-c2cn3c(C(=O)NC[C@@H]4CCS(=O)(=O)C4)csc3n2)cc1 12314294 QQHNYQVMFLLDQP-AWEZNQCLSA-N 403.529 2.790 0 50 HFAA CCc1ccccc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O 12413587 BCQZPROVSWCIAZ-UHFFFAOYSA-N 400.438 2.749 0 50 HFAA O=C(/C=C\c1cccc(F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 14996028 KZXGEOGAJARJLS-FPLPWBNLSA-N 411.481 2.920 0 50 HFAA CN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 14999359 QLMAXQZVUYPPGK-UHFFFAOYSA-N 414.513 2.693 0 50 HFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 44892598 OPXQFKZVIDAHEJ-UHFFFAOYSA-N 410.424 2.537 0 50 HFAA CCCCN1CCN([C@@H](C(=O)N2CCC3(CCCC3)C2)c2ccccc2)C(=O)C1=O 77541597 MTNLXTVGRSBNCK-HXUWFJFHSA-N 411.546 2.991 0 50 HFAA O=C(c1ccc(F)c(F)c1)N1CCC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777783 WIXHXPZZVOLVCW-ZDUSSCGKSA-N 400.389 2.961 0 50 HFAA C[C@]1(C(=O)NCc2ccc(N3CCOCC3)nc2)CC(c2ccccc2Cl)=NO1 225798599 GQWYGNKEHPNCIQ-OAQYLSRUSA-N 414.893 2.771 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239165182 NQNYDNRDUOUPNV-ZOCXKQACSA-N 422.481 2.634 0 50 HFAA Cc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263616153 HJRNFHXOADPZDJ-OAQYLSRUSA-N 421.476 2.960 0 50 HFAA Cc1ccc2cc(CN3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)ccc2n1 328605036 MBBHDSXNHCDIFN-IRLDBZIGSA-N 419.529 2.508 0 50 HFAA O=C(NC1(c2ccc(F)cc2)CCOCC1)C1CCN(C(=O)N2CCCC2)CC1 410009088 CVGOLPDSVHKFPO-UHFFFAOYSA-N 403.498 2.875 0 50 HFAA CCc1noc(C[C@]2(O)CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)n1 856565782 YNIBWODURXGWPI-JOCHJYFZSA-N 406.490 2.547 0 50 HFAA CCc1nc2cc(NC(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3)ccc2n1CC 952962497 FPDUKMHTRPFLNL-NRFANRHFSA-N 419.529 2.948 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N2CCC(CCNC(C)=O)CC2)cc1Cl 1506421867 NMQVWUPBFPERDA-UHFFFAOYSA-N 409.335 2.929 0 50 HFAA CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cc(OC)cc(OC)c1 1848444027 CXYIBAAYWCEYBP-AZUAARDMSA-N 401.415 2.673 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)c(=O)n1C 1857667439 CMPVHOFYHAJLBA-HSZRJFAPSA-N 410.518 2.607 0 50 HFAA COc1ccc2[nH]c(C(=O)N3CCC4(CCC[C@H]4NS(C)(=O)=O)CC3)cc2c1 1857697039 IKDQFRGKOPDZSB-GOSISDBHSA-N 405.520 2.501 0 50 HFAA CCCc1nnc(N2C[C@H](C(=O)NCCc3cccc(OC(C)C)c3)CC2=O)s1 1857722779 NQMUSTMGMSDUSM-MRXNPFEDSA-N 416.547 2.990 0 50 HFAA O=C([C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857733266 BZRUJZSZGZMVAY-KXOCWROSSA-N 400.910 2.906 0 50 HFAA C[C@@H](C(=O)Nc1ccccc1Br)N1CCN(c2cnccn2)[C@H](C)C1 2325824716 NTZZFBHRMNSLGY-KGLIPLIRSA-N 404.312 2.777 0 50 HFAA O=C(/C=c1/nc(O)/c(=C/c2cnn(CC(F)(F)F)c2C2CC2)s1)c1ccco1 2325854496 HAQHZOSGOGGZHA-LRSUZXNRSA-N 409.389 2.570 0 50 HFAA COc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC 1075869 XSXOMPDMOZMTQZ-UHFFFAOYSA-N 416.858 2.901 0 50 HFAA Cc1cc(=O)oc2cc(NC(=O)c3c(I)cnn3C)ccc12 2782168 GJEQOPBXTLRVNT-UHFFFAOYSA-N 409.183 2.692 0 50 HFAA COCCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 2817388 IXMMBYNPKISGKQ-UHFFFAOYSA-N 404.532 2.960 0 50 HFAA C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 3874552 RWQKHEORZBHNRI-MEBBXXQBSA-N 403.818 2.573 0 50 HFAA biogenic,in-vitro CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4064444 AZCNJEFLSOQGST-SEYGEAQASA-N 404.503 2.641 0 50 HFAA biogenic CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(Cc3ccccc3)s2)C1 6747504 VSNFHYDZFSZMMM-INIZCTEOSA-N 422.576 2.909 0 50 HFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)Cn1nc(C)nc1C)O2 11871414 VVLPHLOBZTZMKU-LJQANCHMSA-N 404.470 2.884 0 50 HFAA Cn1c(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)nc2ccccc21 12305773 AFUJNTHGLNAPBP-UHFFFAOYSA-N 409.578 2.872 0 50 HFAA COc1ccc(CNCCn2cccn2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12471617 NCZQVZYSEHRHHR-NRFANRHFSA-N 416.566 2.687 0 50 HFAA Cc1nonc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12588097 BQVSSCBWJCBRJH-JOCHJYFZSA-N 424.545 2.879 0 50 HFAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@H](N(C)C)C2)c1=O 14952574 UONKOPXWKBKQEP-SFHVURJKSA-N 416.566 2.660 0 50 HFAA Cc1c(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc2c3c(c(=O)oc12)CCC3 16041983 WIEAECBLYFKUAS-LJQANCHMSA-N 421.449 2.781 0 50 HFAA biogenic CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccnc1 169301644 BRQQPZMKNJUDNH-WBYLCXCBSA-N 405.491 2.805 0 50 HFAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)cc(OC)c1OC 169765729 BKLXFOMAOTVYPM-IBGZPJMESA-N 411.458 2.977 0 50 HFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC[C@@H]3c3ncon3)cc2C[C@@H]1C 170594506 VDMBKHSFTWDGCN-SCLBCKFNSA-N 404.492 2.673 0 50 HFAA C[C@@H](NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1cccs1 222106853 UIXUMROHZKUNHC-BDJLRTHQSA-N 410.337 2.846 0 50 HFAA CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 229540799 BLKBCYNOKZLOQH-FYYLOGMGSA-N 420.557 2.535 0 50 HFAA O=C(NCc1cccnc1)c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2 263615509 CTGWHBDPPSUHFD-MRXNPFEDSA-N 414.263 2.637 0 50 HFAA O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)[C@H]2N1 334161835 JMNDZEYPZARKOQ-GGPKGHCWSA-N 416.522 2.918 0 50 HFAA CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2nc3cccc(Cl)c3n2C)C1 475702704 UPYPJINQYUYENU-AWEZNQCLSA-N 405.930 2.921 0 50 HFAA Nc1c(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cnn1-c1ccccn1 498211412 HOVDJKKLLYNCIC-GFCCVEGCSA-N 400.845 2.651 0 50 HFAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCNC(=O)[C@@H]1CCO 828743239 RGTGWGZCJFRGLZ-IBGZPJMESA-N 408.454 2.643 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(Cl)cc2OC)cc1OC 1529190665 LKFNJHUSMMKPOY-WOJBJXKFSA-N 421.877 2.940 0 50 HFAA Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)n1 2792014 IQUNDGBFAUYGOM-UHFFFAOYSA-N 403.291 2.764 0 50 HFAA C[C@@H](CNC(=O)CCC(=O)N(C)C)Oc1cccc(CN(C)Cc2ccoc2)c1 11909558 XSKORGPUOJFUPZ-KRWDZBQOSA-N 401.507 2.664 0 50 HFAA O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N(CCO)Cc1ccccc1 12714971 XZKKVOFUEGFUOW-UHFFFAOYSA-N 404.392 2.980 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCC1 16649127 IKZJMOBXWJUSMC-UHFFFAOYSA-N 419.528 2.544 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)c1c(C)n(C)c2ccccc12 19799764 JVKLHQSYMXSBHW-UHFFFAOYSA-N 413.547 2.905 0 50 HFAA Cn1cnnc1[C@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 20599827 NGNQDINMHTZDRH-HNNXBMFYSA-N 413.551 2.530 0 50 HFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 26100994 ZFFPUEDLJGJAJO-UHFFFAOYSA-N 408.546 2.793 0 50 HFAA CCCN(CCO)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82097053 STNBDKBABWLLTD-SFHVURJKSA-N 414.550 2.740 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(C)ccc3C)nn2)nc1 82230283 HAVHOZXROKXJLQ-UHFFFAOYSA-N 412.519 2.931 0 50 HFAA COc1ccc(CN(C)Cc2ncc(C)[nH]2)cc1OC[C@H](O)CN1CCCCC1 95518651 AZMOMLPAKRHQMW-LJQANCHMSA-N 402.539 2.584 0 50 HFAA CN1[C@H](c2ccccc2F)[C@H](CNC2CCN(Cc3ccccn3)CC2)C[C@@H]1CO 248078392 ZZOFGSIOARUDHV-VNZMSGEBSA-N 412.553 2.829 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 263585274 GYPZCSZYZUCJAX-JAXLGGSGSA-N 413.562 2.779 0 50 HFAA biogenic COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)c2n[nH]c4c2CCC4)CC3)c1 299756040 BUNYWIMHMLTKKS-LJQANCHMSA-N 422.529 2.508 0 50 HFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc(N2CCCC2=O)c(F)c1 487999285 LWKALBMQSPVIEC-KRQTWPAJSA-N 411.477 2.583 0 50 HFAA Cc1nccn1Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 952985311 GISDYPNVXFXYCV-JOCHJYFZSA-N 417.513 2.569 0 50 HFAA O=C(c1cncc(Cl)c1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1277412409 BANOIUADZYJSEN-ZJUUUORDSA-N 403.710 2.949 0 50 HFAA COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)cc2)c1 1704326050 USEAKTQOPHAQAJ-GMAHTHKFSA-N 411.498 2.869 0 50 HFAA Cc1ccc(C(=O)N2C[C@H]3CN(c4nnc(C)s4)C[C@]3(CCC(=O)O)C2)cc1 1772812366 GPWDIXCXHFPLNC-JXFKEZNVSA-N 400.504 2.598 0 50 HFAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857729217 AJPIWHLXZHPTAB-QPPBQGQZSA-N 414.465 2.860 0 50 HFAA CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2)C1CCOCC1 1875306262 YNFRHAHGQSKUHQ-JVGYHMDPSA-N 410.555 2.754 0 50 HFAA O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1cn(-c2cccnc2)nn1 1875362357 BKBSUQGLJNADRL-UHFFFAOYSA-N 400.427 2.981 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 715240 QVGNNPYQHRKFLA-HDMKZQKVSA-N 408.332 2.519 0 50 HFAA Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2nsc(-c3ccccc3)n2)c1 2862148 CFTVOWGVTPLOIX-UHFFFAOYSA-N 402.501 2.739 0 50 HFAA COc1cc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc(OC)c1OC 4810744 DMSLFFXHLKSCOO-UHFFFAOYSA-N 413.474 2.633 0 50 HFAA CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6334666 KKNDYTPYJFGXKQ-UHFFFAOYSA-N 405.545 2.789 0 50 HFAA Cc1cccc(C)c1O[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 8163372 YJBXSHSKNATVHS-HKUYNNGSSA-N 416.518 2.664 0 50 HFAA CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 13135552 JGJYVIGWLAJVFX-ARGWCVDVSA-N 415.490 2.564 0 50 HFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 19838633 OPVHDHOLWNXRPD-GOSISDBHSA-N 419.957 2.840 0 50 HFAA O=C(Cn1ccnc1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55166119 HVVXTCGNFKNMKC-IBGZPJMESA-N 421.467 2.715 0 50 HFAA CC(C)CCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82170924 VKMGTSZKJSHMFK-FQEVSTJZSA-N 400.567 2.837 0 50 HFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CC(=O)N(c2ccccc2C)[C@@H](C)C1 101907614 SZFAIVXBJFWPFM-YJBOKZPZSA-N 407.470 2.693 0 50 HFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2I)CC1 169725179 UUVNIFHBJQNQSO-UHFFFAOYSA-N 416.259 2.984 0 50 HFAA CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239338608 KUYCXVIVTIVWJU-AHAVJDSTSA-N 421.493 2.879 0 50 HFAA O=C(C[C@H]1N=C(O)N(c2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 252482642 DLOBMOIROWFOLB-TYOLEZHBSA-N 418.497 2.564 0 50 HFAA O=C(CN1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1)N1CCCCC1 426444619 OZXIXTGZRZKTSB-JOCHJYFZSA-N 405.489 2.792 0 50 HFAA Cn1nc(C(F)F)c2cc(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)sc21 684210482 AZJXCOYQNXYARB-JTQLQIEISA-N 419.457 2.680 0 50 HFAA COc1cccc(OCCN2CCN(C(=O)[C@H](c3cccc(F)c3)N(C)C)CC2)c1 824785257 SAVGZGXPIKPREQ-QFIPXVFZSA-N 415.509 2.660 0 50 HFAA COc1ccc(F)c(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1857683564 JPLXUWMDHZCJKU-CQSZACIVSA-N 404.467 2.860 0 50 HFAA Cc1nn(CCC(=O)N[C@@H]2CC[C@H](NC(=O)c3cnc4ccccc4n3)C2)c(C)c1C 1857686803 ILZDGXNIQSYMIS-MSOLQXFVSA-N 420.517 2.609 0 50 HFAA O=C(O)CCc1cn([C@H]2C=CC[C@H](C(=O)N3Cc4cc(F)c(F)cc4C3)C2)nn1 1875324667 HYJZOXCDKKXIPY-LRDDRELGSA-N 402.401 2.623 0 50 HFAA Cc1cccc(C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)c1 4691594 KFJJEXGOQRVWEN-UHFFFAOYSA-N 423.542 2.505 0 50 HFAA Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)[C@@H]3CCC(=O)N3)nc12 12039766 JOUSARFHLCXEFZ-KRWDZBQOSA-N 407.449 2.584 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1nonc1C 12229024 MICPVXUWHFYADW-LJQANCHMSA-N 400.523 2.732 0 50 HFAA COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1 12307683 CWGKNLMFTNEMNO-UHFFFAOYSA-N 403.504 2.910 0 50 HFAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 12317124 GWVCRVBPQDLBSD-IBGZPJMESA-N 403.486 2.631 0 50 HFAA COc1ccc(OC)c(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c1 14992551 HRNROHOAVQXMRG-IBGZPJMESA-N 415.538 2.577 0 50 HFAA O=C(c1ccc(-c2cccc3c2OCC3)nc1)N1CCCN(c2ncccn2)CC1 71614367 ARFJFARKACPKLX-UHFFFAOYSA-N 401.470 2.826 0 50 HFAA Cc1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239274709 APKHLRUSDPHXPT-OVYBAWALSA-N 404.388 2.901 0 50 HFAA Cc1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)c2c(c1)[C@H](C)CCN2 241470617 NWNMSQQPCQEBOM-CYBMUJFWSA-N 402.472 2.601 0 50 HFAA O=C(CN1CCC[C@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 252680144 WNNJNXUVTLDDFL-SFTDATJTSA-N 422.566 2.791 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(OC)c(OC)c4)c3CO2)cc1 263615306 BRRKSRCRAFZLMD-LJQANCHMSA-N 410.430 2.828 0 50 HFAA Cc1ccc(-c2cc(C(=O)NCCN(C)C(=O)c3cc(-c4ccc(C)o4)[nH]n3)n[nH]2)o1 438376379 OWFSWZZXQFUGOW-UHFFFAOYSA-N 422.445 2.772 0 50 HFAA CSc1cccc(NC(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 952980723 QEJOXGCZADAJBR-UHFFFAOYSA-N 412.581 2.679 0 50 HFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)CCN3CCCCCC3=O)O2)CC1 952990339 IAQSQPKSHCTGIW-FQEVSTJZSA-N 405.583 2.875 0 50 HFAA COc1ccc2cc([C@@H](C(=O)O)N3CCC(CN4CCN(C)CC4)CC3)ccc2c1 1506398277 JWHZVNLRBYRMPE-QHCPKHFHSA-N 411.546 2.934 0 50 HFAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)Nc4cccc(F)c4)C[C@]3(CO)C2)c(C)o1 1772813020 VBSALFJLIYDSCB-VFNWGFHPSA-N 401.438 2.634 0 50 HFAA Cn1ncnc1CCNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857701406 USZYEVWHHZTUOI-CYBMUJFWSA-N 402.886 2.575 0 50 HFAA CCCc1nnc(N2C[C@H](C(=O)NCCCc3ccc(OC)cc3)CC2=O)s1 1857736874 PHRQLJLKIWRKHA-OAHLLOKOSA-N 402.520 2.601 0 50 HFAA CN(CCn1cc(CC2(C(=O)O)CCCCC2)nn1)C(=O)C1([C@H]2CCCCO2)CC1 1875355493 LKPRMVKHKBFACT-GOSISDBHSA-N 418.538 2.663 0 50 HFAA Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c1 2325872277 PPVLIFZIMGEAMW-UHFFFAOYSA-N 420.469 2.991 0 50 HFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C2)n1 2356147459 XGMJOEWILVBVGO-MRXNPFEDSA-N 400.548 2.800 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356164716 DJICYHOIVWOOQT-SPEDKVCISA-N 403.523 2.511 0 50 HFAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC 792007 CMPZLIISRQCHHK-UHFFFAOYSA-N 422.478 2.882 0 50 HFAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O 1004623 FVKGPFDIWHIHLI-UHFFFAOYSA-N 403.847 2.701 0 50 HFAA CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nccs1 2860525 HFIOLYXTHGIXML-UHFFFAOYSA-N 422.561 2.519 0 50 HFAA CN(C)c1ncc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 12004118 MYNPAANGRACJDE-QGZVFWFLSA-N 408.593 2.541 0 50 HFAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NCCc1ccc(OC)c(OC)c1)C2 12455887 ZTOMREXHPNCYAU-INIZCTEOSA-N 414.502 2.654 0 50 HFAA CCn1cc(CN2CCC(Oc3cccc(C(=O)NCCOC)c3)CC2)c(C)n1 12704646 AXVOGXMKGLXZAK-UHFFFAOYSA-N 400.523 2.631 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(OC)c1)C2 14538742 PWBDBGJWUFSIBE-QGZVFWFLSA-N 414.575 2.748 0 50 HFAA CCCN1CCN(C(=O)c2c(CC3CCCC3)n(CCOC)c(C)cc2=O)CC1 14881102 ZCGFRFWCFDEZKG-UHFFFAOYSA-N 403.567 2.704 0 50 HFAA O=c1c(CNCCn2ccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 15068952 QSKBWDSXJCOIFU-UHFFFAOYSA-N 420.444 2.904 0 50 HFAA CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CN(C)C(=O)N1)nn2Cc1ccccc1 72419775 UVDHMAYWOLDGIO-INIZCTEOSA-N 407.474 2.834 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)n1 104333486 OLCJOYWUQBVCLB-OAQYLSRUSA-N 409.509 2.784 0 50 HFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCN(c3ncnc(C)c3C)CC2)no1 215225280 HNIWEOVKASRYQF-UHFFFAOYSA-N 401.902 2.766 0 50 HFAA CC(C)[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C 223213056 KEBXADVDAGARGR-OAQYLSRUSA-N 403.486 2.876 0 50 HFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 247712033 KITFLUPKNCCQLY-UAFMIMERSA-N 404.466 2.589 0 50 HFAA CC(C)C[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C 252492615 MQNYHPQPXJZHPQ-QGZVFWFLSA-N 419.485 2.858 0 50 HFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 253387481 WHBNDQWQXQPIKV-GTAWCEEGSA-N 422.506 2.853 0 50 HFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(=O)N(CCN2CCCCC2)CC1 299791779 FTRFQHXPGRTBDK-SFHVURJKSA-N 421.969 2.963 0 50 HFAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1scc2c1CCCC2 670471133 QXDBLTYGCVODLP-IGSLEHJCSA-N 407.583 2.924 0 50 HFAA Cc1cccc(-n2c(S)nc3cc(C(=O)NC[C@@H](C)N(C)C)ccc3c2=O)c1C 920453514 AYVKTYMVOFYGSN-CQSZACIVSA-N 410.543 2.971 0 50 HFAA CCN1CCC(N(CCc2ccccn2)S(=O)(=O)N(C)Cc2ccccc2)CC1 952860829 TZGNSEUCWKYMFS-UHFFFAOYSA-N 416.591 2.787 0 50 HFAA Cc1cc(NC(=O)CN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)ccc1Cl 1529099933 IKOMYDMKYFJLIG-RBBKRZOGSA-N 402.922 2.875 0 50 HFAA COc1cccc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1OC 1857693620 FCMNAIXTFPBJMC-OAHLLOKOSA-N 416.503 2.729 0 50 HFAA O=C(NCCn1ncc2ccccc2c1=O)NC[C@@H](O)c1cc2ccccc2s1 1875261074 FRALLBHXYKLZJC-QGZVFWFLSA-N 408.483 2.644 0 50 HFAA COC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C)nn1Cc1ccc(OC)c(OC)c1 2100477128 IEKBZUGWHQWVLW-INIZCTEOSA-N 416.478 2.816 0 50 HFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccccc2Cl)c1 4412475 UHQMTRNOHZZUEO-UHFFFAOYSA-N 417.893 2.896 0 50 HFAA CNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)cc1C 4844785 UHLWUGHPHIKMTJ-UHFFFAOYSA-N 402.925 2.690 0 50 HFAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 4954518 YTDZKSCQSJXIAA-ZBFHGGJFSA-N 401.536 2.532 0 50 HFAA CCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C(N)=O)c1C 5470730 JHWGYMXPKVKBOH-UHFFFAOYSA-N 419.503 2.907 0 50 HFAA O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1ccc(F)c(Cl)c1 12377132 RUSDJVIANAEGLZ-UHFFFAOYSA-N 424.819 2.979 0 50 HFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 12744883 ZOSRYYCIMUAGMA-ZDUSSCGKSA-N 401.440 2.983 0 50 HFAA COc1ccccc1CCc1nnc(CCC(=O)NCc2ccc3c(c2)OCO3)o1 12759878 SMEXNRVVKFYFGR-UHFFFAOYSA-N 409.442 2.841 0 50 HFAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCCc1ccccn1)C2 14538766 OFHAHGQTGFKCAW-NRFANRHFSA-N 415.541 2.703 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cc(Cl)ccc3Cl)CN2C1=O 14753943 XZJSDFRLJTYHRR-CQDKDKBSSA-N 413.305 2.629 0 50 HFAA CN(C)CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72418479 DDQYTLJOTMDTRU-UHFFFAOYSA-N 413.909 2.518 0 50 HFAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCc3nccs3)nc2c1=O 72421765 XDJPXWDUWAIPIL-UHFFFAOYSA-N 413.890 2.782 0 50 HFAA NC(=O)c1cccnc1N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95506202 YVZSCZQQHTUAQS-AWEZNQCLSA-N 402.445 2.772 0 50 HFAA COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@]34CCC(=O)O4)[C@@H]21 137343895 ZYDNRZOTRVTMRC-PEPJFTHPSA-N 416.514 2.964 0 50 HFAA CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 138905724 RYGSSSGJAXNPNZ-MWDDYTRKSA-N 403.431 2.725 0 50 HFAA O=C(COc1ccc(F)cc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777436 RRTWKIUYQJFIHE-UHFFFAOYSA-N 412.425 2.587 0 50 HFAA Cc1noc([C@@H]2COCCN2C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)n1 170594399 HKGHSHQOMGRQTG-HNNXBMFYSA-N 414.853 2.703 0 50 HFAA COc1ccc(CCNC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)cc1OC 170624728 VCSILFXXHXNIGQ-ZDUSSCGKSA-N 408.454 2.814 0 50 HFAA CC(C)[C@@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 223223438 LIMAAOFNAMMPIJ-HXUWFJFHSA-N 404.474 2.962 0 50 HFAA O=C(O)COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1 299785821 NVJASHBGNCOPGB-UHFFFAOYSA-N 404.470 2.929 0 50 HFAA CSCC[C@H](C(=O)Oc1ccc2c(c1)CCC(=O)N2)N1C(=O)c2ccccc2C1=O 817767388 USXDGAQILMDZGW-GOSISDBHSA-N 424.478 2.895 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(C4CCOCC4)C3)cc2)CC1 823765109 VQWAEPAFXRLCRA-SFHVURJKSA-N 401.551 2.989 0 50 HFAA Cc1nc(CC(=O)NC[C@H]2CCCN(C(=O)COc3ccccc3C)C2)cs1 952872270 MFGYKPBDBIMJIJ-QGZVFWFLSA-N 401.532 2.736 0 50 HFAA CCOc1ccc(C(=O)CCC(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cc1C 952966152 VRHPCDPLMLQAHP-HXUWFJFHSA-N 415.578 2.843 0 50 HFAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N(CCO)Cc1cccs1 952971807 LHTKIDKZPKSDSO-UHFFFAOYSA-N 421.422 2.933 0 50 HFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1469078211 HZKHAISDVQYELQ-UHFFFAOYSA-N 415.335 2.866 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3Cl)no2)cc1 1506402418 YAQVGUIGMHKFMW-UHFFFAOYSA-N 405.863 2.833 0 50 HFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccc(C)o3)C[C@@H]2O)n[nH]1 1529159901 UKSQULVAANSWJP-BEFAXECRSA-N 408.458 2.547 0 50 HFAA COc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c2c1CCCC2 1704337224 SWTMPDJHTCTBRX-APWZRJJASA-N 402.516 2.505 0 50 HFAA CN=c1ncc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)c[nH]1 1857698999 DRLDSXRKWLHPFO-NRFANRHFSA-N 423.561 2.652 0 50 HFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857722901 OQXHSZRFHVPUTP-YKSBVNFPSA-N 405.498 2.813 0 50 HFAA NS(=O)(=O)c1cccc2c1CCN(Cc1nc(-c3cccc(Cl)c3)no1)C2 1875302918 NEPVHIIIPFAYSR-UHFFFAOYSA-N 404.879 2.596 0 50 HFAA CN(C)c1noc(C2CCN(C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)n1 1875358836 LHUYVYQCLGEUCG-SWLSCSKDSA-N 409.412 2.998 0 50 HFAA CCCCn1nccc1C(=O)N(C)C1CC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 2325829787 SHXJQAQRIHFDGK-FWTVCXRTSA-N 410.518 2.967 0 50 HFAA Cc1cc(C)n2ncc(CN3CCC[C@]34CCCN(Cc3ccccn3)C4=O)c2n1 2356163436 CSQBVMVTRCYWKR-QHCPKHFHSA-N 404.518 2.898 0 50 HFAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(C(N)=O)CC4)c3n2)cc1 815320 SWDSGDGVVQUDPV-UHFFFAOYSA-N 413.428 2.980 0 50 HFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(C)cc1 4594052 HJFSROJXSJUUPO-OAHLLOKOSA-N 405.501 2.973 0 50 HFAA CCc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 4942137 YZDAMRCOEKWCOS-UHFFFAOYSA-N 403.891 2.823 0 50 HFAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(c2ccc(Cl)cc2)=NN1Cc1ccccc1 5297821 LWVZYDBPBMVLGB-UHFFFAOYSA-N 420.860 2.501 0 50 HFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C(F)(F)F)s2)cc1C 9295447 ULKGCDMOZVJVHF-UHFFFAOYSA-N 415.426 2.880 0 50 HFAA CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1Cl 12413256 IOROUWPNSIBXAA-AWEZNQCLSA-N 419.894 2.866 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 12716642 XSNYFLMQUPULKK-CYBMUJFWSA-N 412.895 2.772 0 50 HFAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)Nc1ccc2c(c1)OCCO2 16648804 DLMYNVHBDWPLDP-OAHLLOKOSA-N 404.426 2.918 0 50 HFAA COc1ccc(CN(CCO)Cc2ccccc2)cc1OC[C@H](O)CN(C)C(C)C 19146917 FOOWJMHHSASREZ-JOCHJYFZSA-N 416.562 2.770 0 50 HFAA O=C(N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19333974 NDLHVEJJQWWOTD-JQWIXIFHSA-N 420.145 2.543 0 50 HFAA CCOC(=O)CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 39442778 SZIKSHMPNGASDQ-UHFFFAOYSA-N 422.529 2.952 0 50 HFAA COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C(C)C)CC4)c3C)n2)c1 55167149 SXZFZGMGFQAPCN-UHFFFAOYSA-N 420.517 2.813 0 50 HFAA COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1OC 169781379 SOTHMDLYVQKOCM-AWEZNQCLSA-N 412.450 2.556 0 50 HFAA O=C(O)CC[C@@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 170620096 DSTVMMVIIDVYFB-QFIPXVFZSA-N 402.410 2.630 0 50 HFAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cccc(-c2nnco2)c1 747309918 VOQBSBUXIIAWSA-UHFFFAOYSA-N 422.260 2.547 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 772856198 HIZOGCCHYPKULJ-CVEARBPZSA-N 401.507 2.959 0 50 HFAA NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 804410947 AMGOVEVBZYIHQT-OAQYLSRUSA-N 410.495 2.710 0 50 HFAA C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)N2CCO[C@H](c3ccccc3)C2)C1=O 888105501 FTFXLSHTRDFDME-GBXCKJPGSA-N 406.482 2.693 0 50 HFAA O=C1C[C@H](C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)CN1Cc1ccccn1 952873085 UHAVCFGEEYFVIY-FQEVSTJZSA-N 416.481 2.760 0 50 HFAA CC(=O)N(C)c1ccc(NC(=O)CN2CCCN(C3Cc4ccccc4C3)CC2)cc1 1506396649 VUUFSVKRLBFCDE-UHFFFAOYSA-N 420.557 2.783 0 50 HFAA O=C(O)COc1ccccc1CN1CCC2(CC1)OCCc1cc(C(=O)O)sc12 1857686721 DKJXPHVBPDYSGM-UHFFFAOYSA-N 417.483 2.974 0 50 HFAA O=C(c1nc(O)nc2ccccc12)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857736683 WGOMPYYXSUAMEN-FOIQADDNSA-N 400.438 2.559 0 50 HFAA O=C(N[C@@H](CO)CCO)c1cc(-c2ccncc2)nc2ccc(Br)cc12 1875350038 YMUHYRSKJVFSMI-CQSZACIVSA-N 416.275 2.532 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CC1 1875369557 VWLCKRRYGKKZMN-HNNXBMFYSA-N 403.910 2.673 0 50 HFAA COc1cc(-c2onc(N3CCC[C@]4(CC3)CNC(=O)O4)c2C(=O)O)ccc1F 2356145244 HUFOPGYIPIYPIJ-IBGZPJMESA-N 405.382 2.656 0 50 HFAA O=C(Cn1c(=O)n(CC(=O)NC2CCCCC2)c2ccccc21)NC1CCCCC1 838337 ZHYAEEHFAZHCLM-UHFFFAOYSA-N 412.534 2.701 0 50 HFAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 1076541 IZTMGRLWYFVGAE-SKDRFNHKSA-N 422.890 2.519 0 50 HFAA Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCOCC4)cc3C[C@H]2C)cc1 10327070 HAVNWFKKRQSZMZ-MRXNPFEDSA-N 400.500 2.607 0 50 HFAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCN(Cc3cccs3)CC1)C2 12051729 OBTGVVYYOVVRIN-KRWDZBQOSA-N 415.559 2.684 0 50 HFAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O 12207272 OPTQECLEVFDSNN-FDDCHVKYSA-N 416.518 2.520 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 12594039 RJHZMVVTMMFTPF-LJQANCHMSA-N 420.550 3.000 0 50 HFAA O=C(CC[C@@H]1CCCN(CCCn2cccn2)C1)N1CCN(c2ccccn2)CC1 19938832 JVUSMBKSBBKMGP-NRFANRHFSA-N 410.566 2.509 0 50 HFAA Cc1ncoc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 20599477 IZKRRRKNBPMJSU-OAQYLSRUSA-N 424.545 2.960 0 50 HFAA O=C(CCc1ccc(=O)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72420483 SDTYMJJPRUKFPE-UHFFFAOYSA-N 402.498 2.636 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)on1 77323202 WIQBROAJGPEKTE-BLRYILKCSA-N 421.497 2.540 0 50 HFAA CCc1n[nH]c2c1CN(C(=O)c1cnc(C34CC5CC(CC(C5)C3)C4)[nH]c1=O)CC2 91518826 CZRNNLCGQQLKCX-UHFFFAOYSA-N 407.518 2.722 0 50 HFAA COC(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1 225444896 NVNRXTLSRXMUIS-AWEZNQCLSA-N 406.276 2.817 0 50 HFAA Cc1nnc(CCNC(=O)c2csc(N3CCN(c4ccccc4)CC3)n2)s1 426399433 QHKYSQOMBMKRSG-UHFFFAOYSA-N 414.560 2.602 0 50 HFAA CN(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1CCCOC1 497472750 SQWNFDZMSVMULC-ZFWWWQNUSA-N 401.385 2.511 0 50 HFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1ccc(-c2noc(C3CC3)n2)cc1 670472683 WYIHOUFBTLPORP-HXUWFJFHSA-N 419.485 2.812 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)c3cn(CC[C@H]4CCCCN4)nn3)cc2)CC1 952971689 KXTGNLJIOKIUPG-QGZVFWFLSA-N 412.538 2.536 0 50 HFAA C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)C(=O)Nc1ccccc1 1265082079 RJTOMSUFHRLMMJ-GFCCVEGCSA-N 422.453 2.906 0 50 HFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 1506401759 FZRLSYYUPQNQEE-KRWDZBQOSA-N 419.485 2.786 0 50 HFAA CN1C[C@@H]2C[C@H](N(C)Cc3ccccc3OCC(=O)N3CCCCC3)C[C@@H]2CC1=O 1704337924 IFQCVPRSWHGVMV-QHAWAJNXSA-N 413.562 2.767 0 50 HFAA O=C(NCc1cscn1)[C@H]1CC[C@@H](O)[C@H](Nc2cccc(C(F)(F)F)n2)C1 1857683430 SXBQUYOIPYDAOT-CYZMBNFOSA-N 400.426 2.815 0 50 HFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356135257 WIQHRWKFKFYVAR-IBGZPJMESA-N 402.491 2.707 0 50 HFAA O=C(NC1(c2cc(F)cc(F)c2)CC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356163313 XWVAOAAFDSNDEM-UXHICEINSA-N 413.424 2.596 0 50 HFAA O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@H](C(F)(F)F)C1 953375 UZPCPGDQVBNEHJ-ZDUSSCGKSA-N 410.483 2.950 0 50 HFAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1211599 AVWGGFRYGBQBJS-SFHVURJKSA-N 415.490 2.863 0 50 HFAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 2871857 OTLKPERVKBBOJL-UHFFFAOYSA-N 410.879 2.761 0 50 HFAA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)cc2C1=O 9805627 WEHRMOWTHNLCTD-UHFFFAOYSA-N 424.409 2.977 0 50 HFAA COC(=O)CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11818161 IJOHNGCUMQFWQQ-GOSISDBHSA-N 422.529 2.918 0 50 HFAA COc1ccc(-c2noc(CN3CCC(CCNC(C)=O)CC3)n2)c(OC)c1OC 11842655 RITSKJCEOHMOAI-UHFFFAOYSA-N 418.494 2.501 0 50 HFAA Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@H]3CCCO3)c12 12038782 NBCCHHNQDHFVGE-OAHLLOKOSA-N 403.552 2.806 0 50 HFAA O=C(NCCCn1cccn1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12439787 YFANOFPPRWNWCG-MRXNPFEDSA-N 408.424 2.847 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CSc2ccccc2)CC1)[C@H]1CCOC1 12715940 JGHRESVUNPFSCU-INIZCTEOSA-N 414.531 2.814 0 50 HFAA Cc1cnc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)cn1 14534351 HTIGNEWBAXXTFN-OAQYLSRUSA-N 422.529 2.988 0 50 HFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3C[C@@H](C)NC(=S)N3)CC2)c1 14970306 MWFCPCXYFNFYKK-QAPCUYQASA-N 402.564 2.577 0 50 HFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](N(C)Cc1ccsc1)C2 19143719 KCDHGXGGGZZKIQ-SFHVURJKSA-N 415.607 2.732 0 50 HFAA CCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(Br)cc31)C2=O 19323347 FGKLSZBHDRJVDZ-UHFFFAOYSA-N 418.335 2.585 0 50 HFAA biogenic Cc1cc(C)c(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 19367200 AYCYOSZYAUIZTP-OAQYLSRUSA-N 412.530 2.898 0 50 HFAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 23114625 WDAZWFOXFYUQQV-QPJJXVBHSA-N 411.453 2.826 0 50 HFAA COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3F)ccc1=O)CC2 40287090 GUFDORJCRCXEKD-UHFFFAOYSA-N 423.444 2.652 0 50 HFAA NC(=O)NCCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67640989 MDEDLAVPAZHVLY-UHFFFAOYSA-N 404.470 2.798 0 50 HFAA Cc1ccccc1OCCCC(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 170599052 BSZMALPLRXIPLT-GOSISDBHSA-N 407.470 2.865 0 50 HFAA COc1cc(OC)cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c1 170615182 CYLBKAVHUSJPFL-GOSISDBHSA-N 406.232 2.879 0 50 HFAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 225714008 OKCUEOYXSHXUMC-NCOADZHNSA-N 413.301 2.516 0 50 HFAA Cc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 253430468 ZPPJAAMIFVMJJR-WMZOPIPTSA-N 410.470 2.912 0 50 HFAA O=C(NCc1ccncc1)c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2 263615337 BVJGYKZRGBRQFD-MRXNPFEDSA-N 414.263 2.637 0 50 HFAA COc1ccc(-c2cc3n(n2)[C@H](NCCc2ccc(OC)c(OC)c2)CNC3=O)cc1 263619505 YZDBYQKTTXNNSQ-QFIPXVFZSA-N 422.485 2.650 0 50 HFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cn5cccnc5n4)C3)C2=O)c1 426374104 AQNVAWCBETTXCD-HSZRJFAPSA-N 403.486 2.693 0 50 HFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436555026 HXKLZRAZAXWTDV-MAODMQOUSA-N 412.486 2.564 0 50 HFAA CCN(CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C1 464963059 VQWDAOYYDWFRDE-RTBURBONSA-N 418.607 2.881 0 50 HFAA Cc1ccc(OCc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1C 951726551 AVYXQQNTCFATKK-CQSZACIVSA-N 421.548 2.521 0 50 HFAA Cc1cc(N2CCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)nc(-c2ccccc2O)n1 952971234 GBLKOKTWWWWJTL-IBGZPJMESA-N 409.490 2.607 0 50 HFAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(C(=O)N2CCOCC2)cc1 952979933 QAOGGBHMIFQIMI-IBGZPJMESA-N 410.470 2.969 0 50 HFAA CSCC(=O)N1CCC[C@@]2(CN(Cc3ccc4c(ccn4C)c3)CC[C@H]2O)C1 1857707144 GGCUREATTVYFDR-IFMALSPDSA-N 401.576 2.717 0 50 HFAA C[C@H](NC(=O)CCCCCCCn1cc(-c2ccc(N(C)C)cc2)nn1)C(=O)O 1875354049 PHJIPZCFDKCGRX-INIZCTEOSA-N 401.511 2.941 0 50 HFAA CCn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726744 NGZBPYRUYOZVPW-UHFFFAOYSA-N 422.504 2.842 0 50 HFAA COC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cnc([C@@H](C)O)s2)CCC(C)(C)CC1 2325828903 UYJGVISNTWPWJS-ILXRZTDVSA-N 421.563 2.607 0 50 HFAA O=C(O)c1cccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c1 2325870950 WGQRRRJJTKEHSG-UHFFFAOYSA-N 406.360 2.888 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 2325889557 WKKXGEMIHORLAX-DZGCQCFKSA-N 407.312 2.717 0 50 HFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCCC1 2356139701 HZEPHLHOXBJIQP-QMBPOEKNSA-N 406.530 2.600 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 1123451 AJPIBZYQVBZVJE-UHFFFAOYSA-N 402.472 2.520 0 50 HFAA CC(=O)Nc1ccc(NC(=O)Cn2nc(C)c(I)c2C)cc1 1430023 RUNYIVBSVQFNND-UHFFFAOYSA-N 412.231 2.702 0 50 HFAA CC[C@@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1c(C)cccc1C 2461696 DLEQVZAFIKPPRD-HSZRJFAPSA-N 407.470 2.823 0 50 HFAA COc1ccc(/C=C/C(=O)NC(=S)NCCOc2ccccc2OC)cc1OC 2826519 AMQDILDUFRNSTM-PKNBQFBNSA-N 416.499 2.795 0 50 HFAA COc1ccc(N(C(=O)c2ccccc2OC)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4035794 NRSLJLBOTSBTLC-AWEZNQCLSA-N 403.456 2.670 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccncc1 11822070 VBDPWMICINRXDB-QHCPKHFHSA-N 414.509 2.756 0 50 HFAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 12158488 YXAWNALQSURKRS-AOMKIAJQSA-N 404.482 2.650 0 50 HFAA O=C1CN(C(=O)C2(c3ccccc3)CC2)C[C@H](OCC2CC2)CN1Cc1cccnc1 14531069 KKEAUSMTYZKPTK-JOCHJYFZSA-N 419.525 2.779 0 50 HFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC 14744805 NYFKZXMWCXKTGZ-KRWDZBQOSA-N 403.523 2.739 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCc1ccc(F)cc1)C3 14878823 FHVLCCHPIDTUHA-QGZVFWFLSA-N 414.550 2.848 0 50 HFAA Cc1nc(CN2CCN(C(=O)c3cn(CCCc4ccccc4)nn3)CC2)cs1 15064049 QYYQBPBJULMRHP-UHFFFAOYSA-N 410.547 2.634 0 50 HFAA O=C(Cn1cccn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 15067950 ALTQXYFTSSZNFC-OAQYLSRUSA-N 414.525 2.942 0 50 HFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 21795252 CENDGWQFHZPTJS-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA CCOC(=O)C1=C(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)NC(=O)N[C@H]1C 242338997 ZECJKVIUPNJVAA-VPKRNGSRSA-N 410.898 2.626 0 50 HFAA COC(=O)c1cn(CC2(Cc3nnc4ccccn34)CCCCC2)cc2c(=O)[nH]nc1-2 263587344 FXAKROJAXHBJBM-UHFFFAOYSA-N 420.473 2.699 0 50 HFAA Cc1cc(=O)c(OCC(=O)NCC2(Cc3nnc4ccccn34)CCCCC2)co1 409413044 ALFWLEKMTCNZJE-UHFFFAOYSA-N 410.474 2.679 0 50 HFAA Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)nc2nc(O)nc(O)c12 468913026 HYXQPQGDEBMMCH-UHFFFAOYSA-N 415.409 2.994 0 50 HFAA O=S(=O)(NC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1)c1ccccc1 521171656 VWMYVFZEISKBKH-SJORKVTESA-N 408.545 2.502 0 50 HFAA Cc1nc(C(=O)N[C@H](C)Cc2ccccc2Cl)nn1-c1n[nH]c(C(F)(F)F)n1 747360893 ZIHIMGCCGXVHPQ-MRVPVSSYSA-N 413.791 2.727 0 50 HFAA CC[C@](O)(C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC)c1cccc(Cl)c1 800524488 JZTDXPDHZWAIGZ-YLJYHZDGSA-N 409.841 2.814 0 50 HFAA CCS(=O)(=O)N1CCN(C(=O)[C@](C)(Nc2ccccc2)c2ccccc2)CC1 952972573 HEVQPZJHLVDESC-OAQYLSRUSA-N 401.532 2.508 0 50 HFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)c1 952972588 TWMOBEUMKLCFQQ-INIZCTEOSA-N 400.523 2.615 0 50 HFAA CC(C)(C)c1oc(C(N)=O)cc1CN1C[C@@H]2[C@H](CN3CCCC3)[C@H]3CC[C@]2(C1)O3 1704315519 IIYOAWOLXGUSKN-PMECCGAFSA-N 401.551 2.751 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1 1875370403 NRCBGKVYDRAAPI-UHFFFAOYSA-N 418.925 2.831 0 50 HFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc(OC)cc3c2OCC3)C1 1875383339 PMIHEYLLGGBGNG-OWWJJEGGSA-N 406.482 2.763 0 50 HFAA O=C(NCCN(C(=O)c1cnc2c[nH]nc2c1)C1CC1)c1cncc2sccc12 2325839718 CBTWETYHLHPQKD-UHFFFAOYSA-N 406.471 2.602 0 50 HFAA CNC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]3CF)[C@@H](C)C2)c1 2325872564 DNAZXNZLUNLTHY-OXXUSNJHSA-N 404.486 2.543 0 50 HFAA CCOc1c(Cl)cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1Cl 2827893 UFHCIPVNYWSJCL-GHXNOFRVSA-N 403.287 2.965 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1 12076702 UYNCVRQWIRCAFV-MRXNPFEDSA-N 415.490 2.983 0 50 HFAA O=C(Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccc2c(c1)OCO2 12194289 WXPZIEBRTIRDQP-UHFFFAOYSA-N 424.457 2.787 0 50 HFAA O=C(c1cn(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1)N1CCOCC1 12278743 QDFISCSYRQVLTJ-UHFFFAOYSA-N 423.439 2.606 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCOCC1 19229226 PLRHHYXHZIVTNV-NRFANRHFSA-N 405.558 2.651 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 20176544 IOZNYFFOOLOPHF-NRFANRHFSA-N 421.497 2.612 0 50 HFAA O=C(Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1cccnc1 40395865 ITJLWHWSOPZBBF-UHFFFAOYSA-N 417.816 2.539 0 50 HFAA O=C(c1ccc(F)c(F)c1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780153 JKNNTAXIBXPVCA-UHFFFAOYSA-N 400.389 2.961 0 50 HFAA CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 252516483 STDQPPOMFNGHQX-ZQYRFBGISA-N 419.525 2.865 0 50 HFAA biogenic COc1ccc(OC)c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 328593017 HLNUOWKOJDPIRV-UHFFFAOYSA-N 406.504 2.645 0 50 HFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)C1 952989870 YQFQIDBQCZQKKX-SECBINFHSA-N 423.438 2.569 0 50 HFAA CCc1[nH]nc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c1C 1857671318 UCHPLVRDXOUXHX-HSZRJFAPSA-N 418.501 2.958 0 50 HFAA CS(=O)(=O)CCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857705129 UDIHFAHMTIUFLR-HXUWFJFHSA-N 422.591 2.520 0 50 HFAA COc1ccc2c(c1)[C@H](C(=O)O)CN(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)C2 1875322741 FAZDEKVZYVLKCE-MRXNPFEDSA-N 417.845 2.873 0 50 HFAA O=C(O)c1cccc(-c2cn(C[C@@H]3CCCN(C(=O)Cc4cccs4)C3)nn2)n1 1875355718 OFBDSTGXXGNFEO-CQSZACIVSA-N 411.487 2.581 0 50 HFAA Cn1nc(COc2ccc(-c3cccnc3N3CCOCC3)cc2)c2c1CNCC2 1875387776 WTUASYKFRQLQSH-UHFFFAOYSA-N 405.502 2.543 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 2356142877 LNMCOJYDGMRBGW-UHFFFAOYSA-N 405.541 2.785 0 50 HFAA Cn1c(=O)c2c(nc(Oc3cccc(C=O)c3)n2Cc2ccccc2Cl)n(C)c1=O 1132766 QTRQUEBEEUCTDU-UHFFFAOYSA-N 424.844 2.740 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 1204049 SXAWDFMRSVYCLB-UHFFFAOYSA-N 420.487 2.667 0 50 HFAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC(C)=O)c(OC)c3)N2C1=O 2246264 KNWAKBGUWLXKFF-RDJZCZTQSA-N 418.471 2.832 0 50 HFAA Cc1occc1C(=O)Nc1cnn(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 11790653 SGZPPPACFYAOAG-IBGZPJMESA-N 423.473 2.640 0 50 HFAA COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cn3cncn3)no2)c2ccccc12 11813840 XGCOOYJVMBCNGV-AWEZNQCLSA-N 407.430 2.825 0 50 HFAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 12204080 LTJLIYUOONYTSQ-ZDUSSCGKSA-N 423.439 2.822 0 50 HFAA COc1ccc(CC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1OC 12322256 FIFNXIBBZYOFNZ-UHFFFAOYSA-N 407.470 2.712 0 50 HFAA COc1ccccc1OCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 12744066 IXFJCDHZXGTFJL-INIZCTEOSA-N 400.450 2.882 0 50 HFAA COCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1nccc(-c2ccco2)n1 14882164 BZWWFMONLWEBSK-UHFFFAOYSA-N 404.430 2.702 0 50 HFAA COC(=O)CCC(=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 15065847 UYCVRRRTVGAZPG-OAHLLOKOSA-N 406.910 2.680 0 50 HFAA CCOC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1 20451844 APVNAFDMDKFNST-JOCHJYFZSA-N 400.567 2.894 0 50 HFAA O=C(c1ccc(O)nn1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 20536303 NSTKKYGINSKATR-HNNXBMFYSA-N 402.445 2.835 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1C(=O)C12CC3CC(CC(C3)C1)C2)OCc1ccccc1 72437419 NOWARRZCWIPVCC-WNZYQOIOSA-N 410.514 2.663 0 50 HFAA COC[C@H](C)n1c(CCCC(=O)N2CCC3(CCN(C)CC3)C2)nc2cccnc21 77436427 KZOMOJGDZKSCGY-SFHVURJKSA-N 413.566 2.906 0 50 HFAA CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccccc3N3CCN(C)CC3)c(=O)[nH]c21 900834717 NSGQXBMYDDXBOE-CMDGGOBGSA-N 420.517 2.709 0 50 HFAA O=C(CN1CCc2ccccc2C1)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615965519 NBOQIOSBERZRQP-URXFXBBRSA-N 401.510 2.655 0 50 HFAA O=C(CCc1cc(O)no1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356161732 HEKYILVEWACGQI-LQWHRVPQSA-N 419.481 2.904 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 979718 WZGFEYQNBHRFKR-OAHLLOKOSA-N 406.504 2.565 0 50 HFAA CCCCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)cc2C1=O 2862475 FAHFZUYINQTGAN-UHFFFAOYSA-N 410.382 2.731 0 50 HFAA COc1cc(C(=O)Nc2ccc(I)cn2)cc(OC)c1OC 2885182 WYILWQFJLDZLQB-UHFFFAOYSA-N 414.199 2.964 0 50 HFAA CC(=O)Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 6703808 WZTUFYVWKXWAEP-UHFFFAOYSA-N 415.515 2.993 0 50 HFAA COc1cccc(CN2CCC[C@H](NC(=O)c3ccccc3N3CCOCC3)C2)c1 11668023 LIXFCVCZBYRJGK-FQEVSTJZSA-N 409.530 2.926 0 50 HFAA COC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 16626365 JBMDEXZMWBNWPP-AWEZNQCLSA-N 400.566 2.594 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528137 AQYFRKFUOSMMGO-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67603824 FUIZSQTZBOCPEK-UHFFFAOYSA-N 403.273 2.932 0 50 HFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccccc3Br)nn2)n1 67614083 NHCJHSKZIXIHQG-UHFFFAOYSA-N 415.295 2.884 0 50 HFAA CCCO[C@H]1CCCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)C1 67641453 GYKLAAPOWFEVIM-KRWDZBQOSA-N 419.595 2.565 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)CC1 104630454 MQZBRTCLPFIBOV-HSZRJFAPSA-N 411.594 2.818 0 50 HFAA COC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 170608881 XEDGVNDEXMPZFK-FQEVSTJZSA-N 416.543 2.801 0 50 HFAA COc1ccccc1NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 170625653 BXMISHWSNJAQQH-SFHVURJKSA-N 406.442 2.668 0 50 HFAA O=C1CO[C@@H](CNc2nccc3ccccc23)CN1CC1CCN(CC2CC2)CC1 299799468 GOPXHBXEVOSERO-NRFANRHFSA-N 408.546 2.996 0 50 HFAA COc1ccc(F)cc1C(=O)N1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1 328603176 FIGJXURRZOIFRW-MRXNPFEDSA-N 402.470 2.713 0 50 HFAA COC(=O)c1cc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)n(C)n1 904600551 OGIVIWCSXGMCMO-UHFFFAOYSA-N 403.826 2.575 0 50 HFAA CN1C(=O)[C@]2(CCCN(C(=O)CCc3nc(-c4ccco4)no3)C2)c2ccccc21 952969549 JBHNHXRAWFBSOK-QFIPXVFZSA-N 406.442 2.799 0 50 HFAA COCCN(Cc1cccc2ccccc12)S(=O)(=O)N1CCC[C@H](COC)C1 1506398318 ONLZTWBOZJMCBE-SFHVURJKSA-N 406.548 2.891 0 50 HFAA O=S1(=O)C[C@H]2NCCN(Cc3ccccc3OCc3c(F)cccc3Cl)[C@H]2C1 1615747171 FZCFRSRKUBORJI-MOPGFXCFSA-N 424.925 2.629 0 50 HFAA O=C1COc2cc(Br)cc(C(=O)N3CCC(c4ccncn4)CC3)c2N1 1857531126 PRSFZERQRXNYSR-UHFFFAOYSA-N 417.263 2.590 0 50 HFAA Cc1cnc(CN2CCC3(CC2)OCCc2sc(C(=O)NCC4CC4)cc23)[nH]1 1857684348 KFMHAWOWMBEZIY-UHFFFAOYSA-N 400.548 2.983 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCc5nocc5C4)CC3=O)sc2c1 1857739005 IMKRHDWJGFQZDM-GFCCVEGCSA-N 412.471 2.621 0 50 HFAA CC[C@@H]1CCc2c(sc(=O)n2CN2CCC(C(=O)Nc3cnccn3)CC2)C1 1875254203 DJELHNKZIBRYHB-CQSZACIVSA-N 401.536 2.523 0 50 HFAA O=C(O)COc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100556474 AUTCQBGQSQPUDV-QHCPKHFHSA-N 409.486 2.702 0 50 HFAA CCN1CCN(c2cc(-c3nc(-c4n[nH]c5ccc(F)cc45)n(C)n3)ccn2)CC1 2325879617 AXCOZOPZCOSPGS-UHFFFAOYSA-N 406.469 2.701 0 50 HFAA Cc1cc(Br)ccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 661002 DDSCAOFOCIRKDS-UHFFFAOYSA-N 423.288 2.931 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NC1CC1 1093498 RCKPDUCOHNYHQB-UHFFFAOYSA-N 423.332 2.919 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1 3612342 JIMZWEHZRXKCQC-UHFFFAOYSA-N 412.309 2.701 0 50 HFAA COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(Br)cc1 4543062 LQVGIJJUNDESIA-UHFFFAOYSA-N 417.215 2.901 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1O 4591759 IOJHDRPICYLNGH-QUCCMNQESA-N 402.516 2.686 0 50 HFAA Cc1c(I)[nH]c(I)c1/C=C/[N+](=O)[O-] 4831040 XBVJSDPCYKFRBD-NSCUHMNNSA-N 403.945 2.780 0 50 HFAA Cc1cc(C)n(CCC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1 11754029 RQVJCOPOPXUWCF-UHFFFAOYSA-N 400.527 2.935 0 50 HFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 11872810 PGEHFXFNVBFVTB-WOJBJXKFSA-N 424.497 2.784 0 50 HFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1)c1ccccc1 12298579 TVGVIFXHFMTKJJ-OAQYLSRUSA-N 408.506 2.780 0 50 HFAA CC(=O)N1C(=O)N(Cc2ccccc2)[C@H]2[C@H]1N(Cc1ccccc1)C(=O)N2C(C)=O 12379360 HFCSCBYVVGQYDQ-BGYRXZFFSA-N 406.442 2.607 0 50 HFAA CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCc2ccc(OC)cc2)C1 13322695 BFKGOOJJIMZADY-OAHLLOKOSA-N 410.565 2.721 0 50 HFAA O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 14952362 RNZYVHGTLKDTCC-KRWDZBQOSA-N 419.934 2.513 0 50 HFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CCC(C(N)=O)CC2)nc1 15062739 HPMAEXHUMRJVSY-UHFFFAOYSA-N 403.486 2.604 0 50 HFAA Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1C 15941954 XTGVISIPEFUMSH-UHFFFAOYSA-N 424.548 2.737 0 50 HFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc(CC(C)C)s2)n1 49550428 AHFCRWAOOZFXPP-UHFFFAOYSA-N 417.466 2.747 0 50 HFAA OCCN1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CC1 72418163 PPJGLPWHZQSUSM-UHFFFAOYSA-N 419.407 2.932 0 50 HFAA COc1cccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)c1 82230672 RXMYEYHDZIGGTA-UHFFFAOYSA-N 406.490 2.559 0 50 HFAA CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)N(C(C)(C)C)C(=O)N=C3O)[C@@H]2C1 227058282 GAPJEHCZNLQGOM-MGPUTAFESA-N 404.898 2.720 0 50 HFAA Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 253387497 ZHUIUFXUGYVAPI-OSTWSGHESA-N 422.525 2.974 0 50 HFAA CN([C@@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 253415566 ILWVQYQKOJFUDW-OAQYLSRUSA-N 414.483 2.677 0 50 HFAA Cc1ccc(C2(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)CCOCC2)cc1 478741066 UCXMLYCLXSHBSV-INIZCTEOSA-N 402.516 2.568 0 50 HFAA CC(C)c1noc([C@H](C)NC(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)n1 670457215 NHPZIBWRETZAJC-AWEZNQCLSA-N 424.457 2.787 0 50 HFAA CC(C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)n1 821483327 FPYXFADQCHZBFP-ZDUSSCGKSA-N 405.480 2.820 0 50 HFAA Cc1cccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 828290460 HYMOAIIIDCMMJD-QGZVFWFLSA-N 416.499 2.696 0 50 HFAA Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cnn3cccnc23)C1 1857710508 AHBKAVNIERHVDR-QHCPKHFHSA-N 413.485 2.767 0 50 HFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccs4)cc3)C2)n1 1857799136 OVOLXGMXPJESFS-CYBMUJFWSA-N 418.500 2.870 0 50 HFAA CC(C)c1cc(=NCc2ccnc(N(C)C)c2)[nH]c(=NCc2ccnc(N(C)C)c2)[nH]1 1875260530 MAHNHUXNMPFQCL-UHFFFAOYSA-N 420.565 2.590 0 50 HFAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)nc12 1875350424 MKIAHWLKSIIMPN-SNVBAGLBSA-N 407.352 2.503 0 50 HFAA COc1ccc(C2=CC(=C(O)N=c3cc(C)[nH]n3[C@@H]3CCS(=O)(=O)C3)N=N2)cc1 2083582971 XIWRGKJGIKIDHI-CQSZACIVSA-N 415.475 2.628 0 50 HFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O 812920 IBCSITVKRADQAN-LJQANCHMSA-N 412.398 2.501 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)C(=O)N[C@H](CCSC)C(=O)OC 3471486 FKBIMYKSGZVXQT-CZUORRHYSA-N 421.515 2.842 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3547373 ZUYHSUUMVXCGPZ-UHFFFAOYSA-N 412.870 2.634 0 50 HFAA NC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cs1 6681488 HGVMCIHLHUXWJO-UHFFFAOYSA-N 401.469 2.900 0 50 HFAA COC(=O)CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12439183 HYYVGDZZGNLQRN-OAQYLSRUSA-N 408.445 2.649 0 50 HFAA COCC[C@H]1CCCCN1C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1 15067720 MHHZATFZAPCKQR-GOSISDBHSA-N 424.563 2.521 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1 15162405 ZOYSFMJTYSDFNN-LJQANCHMSA-N 408.545 2.672 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1 20914714 OYBFPPRSHCRIIY-NRFANRHFSA-N 419.569 2.997 0 50 HFAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1CC1)CC2 77489927 GYCICSNSSYJBTP-UHFFFAOYSA-N 405.545 2.649 0 50 HFAA N[C@](C(=O)Nc1ccn(Cc2ccncc2)n1)(c1cc(F)cc(F)c1)C(F)(F)F 225705506 HXXYGAVRCUVQFI-KRWDZBQOSA-N 411.334 2.960 0 50 HFAA CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 428121103 MFSLBIDYXMXODT-IVAFGUPBSA-N 407.458 2.902 0 50 HFAA Cc1sc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1-c1ccc(F)cc1 445773433 KLYNWZSTSGUQAR-UHFFFAOYSA-N 401.507 2.899 0 50 HFAA CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)n1 2760793 ICGSHNYCCPLOHQ-UHFFFAOYSA-N 400.460 2.965 0 50 HFAA COCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(OC)c(OC)c3)nc12 2811533 XWCWJQORLDZJPW-UHFFFAOYSA-N 424.379 2.809 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 11820496 RANQSXNRTFHOMZ-OAQYLSRUSA-N 410.537 2.972 0 50 HFAA Cc1nonc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 11842693 XJZDJIZZNDUKOA-LJQANCHMSA-N 403.571 2.961 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1)C1CC1 12431069 VBNZMVIZYYISOD-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA CN1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3cccc(Cl)c3)cc2)CC1 19222756 LLZFSLKGSYJBTQ-JOCHJYFZSA-N 417.981 2.959 0 50 HFAA Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)cc1 20367950 IRAPMHDBKVSEKZ-UHFFFAOYSA-N 414.849 2.623 0 50 HFAA CCCN1CCC(N[C@@H]2C[C@@H](C(=O)NCC)N(Cc3ccc(Cl)cc3)C2)CC1 23361945 OFNQXRQVRCMRHS-RTWAWAEBSA-N 407.002 2.883 0 50 HFAA CCCCn1c(CN2CCN(C)C[C@@H]2c2ccccc2)cnc1S(=O)(=O)CC 23374338 TZWKFSGUNHLIOB-HXUWFJFHSA-N 404.580 2.966 0 50 HFAA COc1ccc(CCC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)cc1 244899318 ZHSJHRBUNOXAAN-HDICACEKSA-N 413.522 2.658 0 50 HFAA CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 427572892 IBYINHHQEDVWKL-HXUWFJFHSA-N 417.575 2.942 0 50 HFAA CN(C)C(=O)COc1ccccc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 469146995 UMSOSRRETOPPRB-UHFFFAOYSA-N 410.518 2.706 0 50 HFAA Cc1nc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)nn1-c1n[nH]c(C(F)(F)F)n1 474299185 XTRQMAFTDRAXNQ-SNVBAGLBSA-N 407.400 2.809 0 50 HFAA Cc1cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc2sc(N)nc12 827587942 WCACLETYOYBDAY-BRRVFRNMSA-N 409.519 2.651 0 50 HFAA O=C(Cc1ccc(CO)cc1)N1CC[C@H]2[C@@H](C1)CN2Cc1ccnn1-c1ccccc1 1775983549 ZPALTLKUYXMRDV-URXFXBBRSA-N 416.525 2.640 0 50 HFAA O=C(O)[C@@H]1COC[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1 1857783487 STAXZMVOKJMDQJ-NZQKXSOJSA-N 409.438 2.880 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 1875363341 OXXFDQDQNBZQAF-UHFFFAOYSA-N 403.280 2.998 0 50 HFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@]2(OC(=O)Nc3ccc(Cl)c(F)c32)[C@@H]1C 1875370759 CASHLPVACSGMBT-JEOXALJRSA-N 409.845 2.892 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3ccc(C(=O)N4CCCC4)cn3)C1)CC2 2356162867 RWEGCZOLDUYUIU-HSZRJFAPSA-N 406.534 2.658 0 50 HFAA COc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 1064007 GZUBFRUKQBOUMJ-YOEHRIQHSA-N 400.500 2.829 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 1127589 MWETYYAIQGBUMS-UHFFFAOYSA-N 424.544 2.979 0 50 HFAA CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 9260872 FDPLZYZRFOMJEO-IZZDOVSWSA-N 416.249 2.977 0 50 HFAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)c3cc(C4CC4)n[nH]3)c(C)o2)c1 11789806 MSIPONLXJPTRAX-UHFFFAOYSA-N 409.446 2.765 0 50 HFAA CCc1nn2c(ncc3c(=O)n(NC(=O)COC)ccc32)c1-c1ccc(Cl)cc1 40397541 LAFQSRMWQWFZAZ-UHFFFAOYSA-N 411.849 2.644 0 50 HFAA CCCCOCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 77341452 KAPDMBIYQLJRNO-UHFFFAOYSA-N 403.504 2.584 0 50 HFAA CCO[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C12CCC2 170638864 SPJTWLQSMLMFSF-HZPDHXFCSA-N 423.307 2.638 0 50 HFAA COc1ccccc1[C@@H]1NC(=O)N(Cc2ncc(C)c(OC)c2C)C2=C1C(=O)OC2 263616205 HPTLMKZDHIGBIV-IBGZPJMESA-N 409.442 2.793 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 426498781 WOYSISAONXWMSD-QFIPXVFZSA-N 402.539 2.778 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](CNC(=O)c3cncc(F)c3)C2)c1C 826630309 NOFUPGDOZKECBB-HNNXBMFYSA-N 400.454 2.650 0 50 HFAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676614 FYVRPBSHTIQHOC-LWYUSKRHSA-N 406.450 2.518 0 50 HFAA CCOCC(=O)N1CCC(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)CC1 952969907 QRPVCGVREIQSBT-FQEVSTJZSA-N 404.507 2.848 0 50 HFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 1704316005 SFNVITRFLOOQNQ-XOIINTDNSA-N 404.898 2.863 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc(C)c(C)s2)C1 1857685331 IERYNOVTBPQZOE-XQBPLPMBSA-N 420.623 2.589 0 50 HFAA COc1ccc2c(C(=O)N3CCC4(CCc5c(O)nc(=N)[nH]c54)CC3)cc(C)nc2c1 1857722784 NUPFRMUMFAYHGP-UHFFFAOYSA-N 419.485 2.580 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)CC1 1875372138 XQDATYNVLRUAPI-QZTJIDSGSA-N 413.518 2.669 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2)cc1OC 1147032 TVIBEOVLQLGYHB-UHFFFAOYSA-N 418.515 2.958 0 50 HFAA CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 6599043 HUDBDMRBIUWLRE-UHFFFAOYSA-N 414.574 2.567 0 50 HFAA O=C(CCC1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1)NCc1cccnc1 11753458 IWNKWXBFKKFBGD-NRFANRHFSA-N 420.513 2.591 0 50 HFAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2 12281686 GRPNJVCIBWRNRW-QGZVFWFLSA-N 423.492 2.732 0 50 HFAA CSc1ncc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cn1 12457924 OJXOXMOMKUYOAJ-QGZVFWFLSA-N 405.612 2.743 0 50 HFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@@H]4CCOC4)c3C)n2)c1 14990398 LYLYYKYXXICFAV-OAHLLOKOSA-N 423.473 2.516 0 50 HFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1 15079260 VJWOCGYMHQJYIU-SFHVURJKSA-N 405.543 2.582 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccncc1 16527284 OCIXFMOMGRUEBU-UHFFFAOYSA-N 423.922 2.651 0 50 HFAA Cc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 16579801 OJKWLEDHWMSLEV-OAHLLOKOSA-N 404.488 2.868 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C(C)=O)OCO4)cc(OC)c1OC 17142515 VHXQZFORACMZMV-URVUXULASA-N 416.426 2.879 0 50 HFAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 54274328 ZRJHYGJUKRICSL-UHFFFAOYSA-N 421.505 2.537 0 50 HFAA O=C(NCCc1cscn1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55109263 LATGNSXNHJIJOR-UHFFFAOYSA-N 415.494 2.565 0 50 HFAA CCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCOCC1 82106626 VJIODIXCKHAQSS-OAQYLSRUSA-N 414.594 2.786 0 50 HFAA COc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)c(OC)c1 169777264 WDZJBDSKSWGZSN-UHFFFAOYSA-N 410.474 2.889 0 50 HFAA CCOc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(OC)cc3)CC2)cc1 170618620 AWYAZKDUDBUPKS-UHFFFAOYSA-N 412.486 2.894 0 50 HFAA Oc1c([C@H](c2ccc(Br)s2)N2CCOCC2)sc2ncnn12 252485551 GYPUPAVUNLXRJZ-JTQLQIEISA-N 401.311 2.742 0 50 HFAA Cc1cnccc1CCNC(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 463890224 CKAHXFBHYXWLNB-JOCHJYFZSA-N 407.474 2.979 0 50 HFAA CC[C@H](NC(=O)CN1CCOc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1 952982808 QZXYEYDGFAQJPZ-IBGZPJMESA-N 402.516 2.552 0 50 HFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857676325 FPNNBOQDYKXGDQ-HSZRJFAPSA-N 402.454 2.966 0 50 HFAA CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875315605 AYAVVYRJEOATBU-UHFFFAOYSA-N 407.261 2.830 0 50 HFAA C[C@H](NC(=O)[C@@H]1CC[C@H](Cn2cnc3c(N)ncnc32)O1)c1cccc2ccccc12 2325854047 LUKXAIQXZZBOSM-GMBSWORKSA-N 416.485 2.987 0 50 HFAA COC(=O)c1ccc2c(c1)[C@H](N=c1nc(O)c3cnn(-c4ccccc4)c3[nH]1)CCO2 2325874494 OPVWFYCNTPLKIM-QGZVFWFLSA-N 417.425 2.665 0 50 HFAA O=C(c1cnc2ccccc2n1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356168095 PDJFGUIEEQEVCM-HSZRJFAPSA-N 401.470 2.822 0 50 HFAA COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 1118851 FALMDGAICPMGQA-UHFFFAOYSA-N 411.487 2.736 0 50 HFAA Cn1nc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)ccc1=O 11661033 IVMAZKWGJFQRBP-KRWDZBQOSA-N 401.466 2.767 0 50 HFAA CSc1ncc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 11879775 PGFINLFIYRJDIP-AWEZNQCLSA-N 400.504 2.569 0 50 HFAA COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@@H](C(C)=O)C3)CCC(=O)N2)c(F)c1 11973936 RBCOPJIZSDLEIA-VGSWGCGISA-N 404.482 2.633 0 50 HFAA CSCC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 12075806 KPVGNOXBEYNKAW-FQEVSTJZSA-N 403.592 2.759 0 50 HFAA Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)[C@H]1CCCN(C)C1)C2 12131839 WHKJJPJQTORPQR-INIZCTEOSA-N 412.559 2.608 0 50 HFAA CCN1CCC(N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(F)c3)C2)CC1 14732951 HQXVTCUGNXEGRC-QFIPXVFZSA-N 405.558 2.995 0 50 HFAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NCC[C@@H](C)O)cnc21 14751924 YBCWDCRJDDEDIR-CQSZACIVSA-N 420.510 2.637 0 50 HFAA CCOc1cc(CN2CCN(C(=O)COc3ccc(OC)cc3)CC2)ccc1OC 19972662 RNVDNVMVIOZLSW-UHFFFAOYSA-N 414.502 2.826 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)no1 77287147 STYPJDDTMOPAOV-XARGGIHNSA-N 421.497 2.540 0 50 HFAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc[nH]n1)CC2)c1ccccc1 77379339 IKSBUQXDDDXLSJ-OAHLLOKOSA-N 410.499 2.648 0 50 HFAA O=C(NCc1ccncn1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82127380 CEUKSRSKPYBDNA-NRFANRHFSA-N 407.562 2.512 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(F)ccc3C)nn2)nc1 82230237 SUECCJJQUNMLMC-UHFFFAOYSA-N 416.482 2.762 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 100033999 OQBMOLNUXUAYSH-SFHVURJKSA-N 414.303 2.903 0 50 HFAA CCc1noc(-c2cccn3c(CNC(=O)CCc4cccc(OC)c4)nnc23)n1 169776019 OUNXPHYFQDWKHA-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA CCOc1ccccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12 169776092 YTACPITYAZBGPF-UHFFFAOYSA-N 404.430 2.985 0 50 HFAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCCc1nc2ccccc2[nH]1 252510162 ZCQZIARRXBVAET-QGZVFWFLSA-N 408.502 2.883 0 50 HFAA Cc1noc(C)c1CNC(=O)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 253407595 DILPKFKGIACLSW-UHFFFAOYSA-N 424.432 2.615 0 50 HFAA O=S1(=O)CC[C@@H](NCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)C1 299802859 RFUWXGXDMOHFLM-OAHLLOKOSA-N 402.497 2.969 0 50 HFAA COCCN1C(=O)C[C@@H](CNCc2ccc(COC)o2)[C@@H]1c1cnn(C(C)C)c1 328602332 BDNKWYZOXQYGEC-HRAATJIYSA-N 404.511 2.529 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc1F 328606281 QXWMPAQVAHXLNP-QGZVFWFLSA-N 416.497 2.642 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)cs1 670442335 CFXNTYJWWCHMKV-UHFFFAOYSA-N 422.507 2.528 0 50 HFAA Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)cc2)c1 1447363237 MAJROIUSEONNJE-HXUWFJFHSA-N 414.527 2.574 0 50 HFAA Cc1c(C(=O)N2CCC[C@@H](c3nc(CC(C)C)no3)C2)sc2[nH]cnc(=O)c12 1506428467 QMUDTOXRPNPJCT-GFCCVEGCSA-N 401.492 2.894 0 50 HFAA O=C(O)[C@@H]1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)CC12CCOCC2 1800410897 DAWLIPOWMSIXPI-FQEVSTJZSA-N 400.519 2.629 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3ccc(-n4ccnc4)cc3)C1)CC2 1857733699 VBYJWPOJVSINMD-HSZRJFAPSA-N 404.518 2.914 0 50 HFAA O=C1COc2cc(NC(=O)c3cc(NC(=O)c4cn[nH]c4)ccc3Cl)ccc2N1 1875365272 HHTNDRYAJNQCEV-UHFFFAOYSA-N 411.805 2.899 0 50 HFAA CCCS(=O)(=O)Nc1ccc(C(=O)OCCCOc2cncc(Cl)n2)cc1 2325707717 JMGFLHYMUSRWMS-UHFFFAOYSA-N 413.883 2.908 0 50 HFAA O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCOCC1 848479 OTUYWMIVVYGFIY-UHFFFAOYSA-N 402.376 2.986 0 50 HFAA CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc12 1129592 AAERUHOIRJZXIR-UHFFFAOYSA-N 420.421 2.865 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 7708251 XXNHHISUAPVPHM-UHFFFAOYSA-N 406.460 2.640 0 50 HFAA CC(=O)Nc1ccc([C@@H]2C[C@H]3CN(C4CCN(C)CC4)C(=O)[C@]34CCCN24)s1 12050226 FXIVSWAUTAQHGG-WJPUGNRLSA-N 402.564 2.539 0 50 HFAA CSCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 12054731 RZWJSJKERSRUCO-IBGZPJMESA-N 403.592 2.759 0 50 HFAA Cc1cc(=O)c(C(=O)NCCc2ccccn2)c(C)n1C[C@@H]1COc2ccccc2O1 12218920 JQFYYPOIAHVIRG-LJQANCHMSA-N 419.481 2.673 0 50 HFAA COC(=O)c1ccc(-c2noc(CN3CCC([C@@H](O)c4cccnc4)CC3)n2)cc1 12308401 YPDRAAOIGWHZIY-HXUWFJFHSA-N 408.458 2.864 0 50 HFAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(c2ccc(O)cc2)CC1 12449245 UTXFAXOPDJNRBZ-UHFFFAOYSA-N 415.856 2.787 0 50 HFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3c(Cl)cccc3Cl)CN2C1=O 14752304 ZPPZDOAOFJNGPU-NUZBWSBOSA-N 413.305 2.629 0 50 HFAA CCN1CCN(C(=O)c2ccc(N3CCC(N4CCC(OC)CC4)CC3)cc2)CC1 14996085 FHEKTJWHIOWFRW-UHFFFAOYSA-N 414.594 2.544 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)CC1 55167599 GOWDQODSWVRJBH-OAQYLSRUSA-N 408.546 2.836 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N[C@@H](C)CO)nc2c1=O 72423655 FEYNWIQZYJSKED-AWEZNQCLSA-N 414.893 2.893 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)cc1 77503459 HHKLBZYFSANODB-SRYPRDQNSA-N 407.470 2.743 0 50 HFAA COc1cccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1 91694202 KKLZYKSMLQNVCW-NRFANRHFSA-N 402.535 2.958 0 50 HFAA COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cnc4ccccc4n3)C2)c(F)c1 225505872 ZXJKDMCYQBQVDP-IBGZPJMESA-N 400.435 2.888 0 50 HFAA COc1cccc2c1OC[C@@H](NC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2 824801349 NJYRNLHHFIYUTD-IBGZPJMESA-N 412.461 2.806 0 50 HFAA C[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)c1cc(F)ccc1N1CCC(O)CC1 1331905727 CQXHUGYRZFUJPP-CQSZACIVSA-N 413.449 2.572 0 50 HFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1616102119 BOVWNLWOZSMFEB-SJORKVTESA-N 400.523 2.554 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)CC[C@H](C)N3CCOCC3)CC1)OCC2 1704338481 CHNZAZYHQTYSJO-SFHVURJKSA-N 402.535 2.587 0 50 HFAA O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)C1 1857672799 IJZVRLZIDGIXSI-SIXLDLHFSA-N 412.452 2.810 0 50 HFAA Cc1cccc(-n2cc(CN3CCC4(CCC[C@@H]4NS(C)(=O)=O)CC3)cn2)c1 1857681416 DJVYCDOQVDZUOP-FQEVSTJZSA-N 402.564 2.865 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c(F)c1 1857685709 QPJDVSDQCORFHT-AWEZNQCLSA-N 404.467 2.860 0 50 HFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3-c3cnn(CCCC(=O)NC)c3)cc2c1 1857692486 HCBLJALYLKCFFG-UHFFFAOYSA-N 420.473 2.502 0 50 HFAA CC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCCc2ncc[nH]2)C1 1875244645 XNSLDIRXCUMQCP-QHCPKHFHSA-N 410.566 2.790 0 50 HFAA CCCn1c(=O)n(Cc2nnc(-c3ccco3)o2)c(=O)c2c1ncn2CCC(C)C 1875339523 NLWQCWXVHIHIGW-UHFFFAOYSA-N 412.450 2.507 0 50 HFAA O=C([C@@H]1CSC(c2ccccc2)=N1)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 2325793830 IZSKYUBETGZVBD-HRCADAONSA-N 402.422 2.878 0 50 HFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4cccc(C5CC5)c4)ccc3C2=O)C(=O)N1 2325901767 WZHIVZSBMCHJNE-LJQANCHMSA-N 418.453 2.969 0 50 HFAA CC(C)(C)c1oc(C(N)=O)cc1CN(c1cccc(-n2cccn2)c1)S(C)(=O)=O 2356158116 XFNNRHYJPXUYKH-UHFFFAOYSA-N 416.503 2.828 0 50 HFAA CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 622971 MTSSBRHBJNMJOW-UHFFFAOYSA-N 413.459 2.563 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1/C=C/c1ccccc1 829115 VIDXMUZHQADPFJ-RCEKVUMWSA-N 406.463 2.666 0 50 HFAA O=CN1CCN(C(=O)C[C@H](c2ccccc2)c2cc(Br)ccc2O)CC1 2841047 VOTYFDBXRIDQFU-QGZVFWFLSA-N 417.303 2.977 0 50 HFAA O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCN(C(=O)c1cn[nH]c1)CC2 11880802 WZQMSHKTEKOHIC-INIZCTEOSA-N 406.408 2.987 0 50 HFAA COc1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1OC 12371181 QXFXPSPBFYFJOK-NSIKDUERSA-N 418.272 2.632 0 50 HFAA O=C(NCc1ccc(C(F)(F)F)cc1F)c1cc(CN2CCC[C@@H](O)C2)on1 12706395 NIUBCNKXEMOQOZ-CYBMUJFWSA-N 401.360 2.719 0 50 HFAA O=C(NCCCn1cccn1)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12708738 MMFNGQVWVCCVBW-JOCHJYFZSA-N 409.578 2.766 0 50 HFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](CCC(=O)N2CCOCC2)C1 12835429 GAYHJALQNXTLNQ-KRWDZBQOSA-N 408.926 2.905 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008839 BRPOWEUNDPBHML-UHFFFAOYSA-N 402.380 2.644 0 50 HFAA CCn1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)cn1 14535721 QZHZDQNNOHARDG-LJQANCHMSA-N 416.497 2.568 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 14744690 YJDPCCOBRWNGCV-OAHLLOKOSA-N 406.502 2.534 0 50 HFAA CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CN[C@@H](C)COC)CC1 15008109 CIVFZCXKSKWHIE-KRWDZBQOSA-N 400.523 2.946 0 50 HFAA COCCN(Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC)C(C)C 15072268 SDIICCJXYWMAPY-UHFFFAOYSA-N 415.600 2.740 0 50 HFAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccccn1 16527307 YHZSUMNWKGVJLC-UHFFFAOYSA-N 423.922 2.651 0 50 HFAA O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19932152 IIWJQIHSCUEOOJ-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20109795 UTSVKARJDSUYDS-GOSISDBHSA-N 406.910 2.919 0 50 HFAA CCN1CCN(CC(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 20905506 MXHAZGSWMSFJMZ-DEOSSOPVSA-N 404.643 2.909 0 50 HFAA CCCN1CCN(Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)CC1 22918446 JHSXBGUUULHIRA-UHFFFAOYSA-N 418.607 2.837 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1 104324745 NWKOWRFSIXISLT-HXUWFJFHSA-N 400.519 2.868 0 50 HFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nn2)n1 169777407 BQGYFZGACIIFJB-UHFFFAOYSA-N 409.494 2.824 0 50 HFAA O=C(CCCOc1cccc2ccccc12)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 170591861 FRXXYFMJJDTDCA-GCJKJVERSA-N 417.527 2.851 0 50 HFAA COC(=O)c1cccc(F)c1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 170602906 SOYNLPUVPWLXBQ-GFCCVEGCSA-N 416.405 2.621 0 50 HFAA Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 230513311 JVVGPHZFULPQQG-UHFFFAOYSA-N 408.907 2.884 0 50 HFAA CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2O1 252695013 TTZOCWWUKXKDJB-JOCQHMNTSA-N 405.447 2.522 0 50 HFAA biogenic COc1ccccc1CNC(=O)CCN1C=Cc2cc(OC)c(OC)cc2CC1=O 253399469 CYNQPTUFESAPPY-UHFFFAOYSA-N 410.470 2.774 0 50 HFAA biogenic CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC 253487682 NYRGXQKQJYLSSV-SAWYMBPVSA-N 409.530 2.557 0 50 HFAA Cn1c(CCNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)nc2c(F)cccc21 461095007 OHTIQYIZHMTRBU-OAQYLSRUSA-N 414.456 2.584 0 50 HFAA Cc1cccc(Nc2nnc(S[C@H]3CCN(c4cc(C)nn4C)C3=O)s2)c1 463027396 GYMILMYFGMMRMX-AWEZNQCLSA-N 400.533 3.530 0 50 HFAA COc1cccc(SCC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 464044764 BRABGDQNIJSEOL-CQSZACIVSA-N 409.533 2.599 0 50 HFAA COc1ccc(NC(C)(C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1 824679442 DPBIWUUOBLYDPA-MBWAJUJLSA-N 410.522 2.737 0 50 HFAA COc1cccc(OCCN2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)c1 824785256 SAVGZGXPIKPREQ-JOCHJYFZSA-N 415.509 2.660 0 50 HFAA Cc1cc(Br)c2[nH]nc(NC(=O)c3cnc4nc(O)nc(O)c4c3)c2c1 1301701742 KGBDVMYLPMCEKN-UHFFFAOYSA-N 415.207 2.636 0 50 HFAA COc1nc2c(cc1C(=O)Nc1nnc([C@H](C)OC)s1)C(=O)N(C1CCCC1)C2 1529144247 UYZDDESTLDLDNE-JTQLQIEISA-N 417.491 2.800 0 50 HFAA O=C(NCCc1cnn[nH]1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2Cc1ccccn1 1857709047 BBIDEVOIQCDXNI-GPXNEJASSA-N 416.529 2.524 0 50 HFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(Cc3ccnn3-c3ccccc3)C1)CC2 1857728708 NAJKKXDTFWGDEE-QHCPKHFHSA-N 404.518 2.914 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1139676 GEDHQNDROGFBFL-VOTSOKGWSA-N 406.460 2.926 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 9185188 IYTUMIKSIUXZTI-UHFFFAOYSA-N 419.850 2.753 0 50 HFAA Cc1nnc2ccc(SCC(=O)N3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)nn12 12244716 DMJJRUMAHWAWGU-HNNXBMFYSA-N 411.466 2.904 0 50 HFAA O=S(=O)(c1cccc2nsnc12)N1CCC[C@](CO)(Cc2ccccc2)C1 12594875 PSCUYYIZKZSKGI-IBGZPJMESA-N 403.529 2.697 0 50 HFAA C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 14538740 VHGSOLMCWZLTKB-HXUWFJFHSA-N 421.541 2.909 0 50 HFAA Cn1ccnc1CNCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 15074324 RHWAGROPXXSDHB-JOCHJYFZSA-N 406.530 2.508 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1)CC2)c1ccc(F)cc1 19743617 DSTXAWMPDNBBIA-UHFFFAOYSA-N 411.456 2.587 0 50 HFAA O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCN1CCOCC1 22608969 FRJXHQZNUPJVOW-UHFFFAOYSA-N 403.460 2.512 0 50 HFAA COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 53122805 JFNKXGOEOQCXDM-UHFFFAOYSA-N 407.514 2.777 0 50 HFAA in-vivo O=C(c1ccccc1Br)N1CCN(c2ccnc(N3CCCC3)n2)CC1 82230650 RNBKANAGTHQHIV-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(F)cc3F)C2)CN1CCc1c[nH]cn1 95500184 UONXPBPHYAYMCX-OAQYLSRUSA-N 402.445 2.775 0 50 HFAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC1CCCCC1)CC2 95528686 CAPHXNGDWCMPMY-UHFFFAOYSA-N 402.539 2.619 0 50 HFAA C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 248381196 SKCGVHLGLOJEMI-KBVRGVHISA-N 408.502 2.572 0 50 HFAA C[C@]1(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCc2ccccc21 751093518 CGHRVAIRJMGWTE-QHCPKHFHSA-N 423.538 2.574 0 50 HFAA CC(=O)c1ccc2c(c1)CCN(CN1C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)C1=O)CC2 799139741 VXGXFFFTOCDFIS-KEPQXFQLSA-N 421.541 2.994 0 50 HFAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 823086421 VUJQJVGQHKYEHI-UHFFFAOYSA-N 406.508 2.703 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccc3cc[nH]c23)cn1 1857692077 NKCZZPUXCFVQIF-UNMCSNQZSA-N 407.518 2.970 0 50 HFAA COc1ccccc1Cc1nc([C@H]2CC[C@@H](N)[C@H](O)C2)n(-c2ccccc2OC)n1 1857716732 QEMJZBIKVXDWFG-YQVWRLOYSA-N 408.502 2.831 0 50 HFAA O=C(CCc1cc(Cl)no1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857731248 DNYVOIUGWUTPIP-YRNRMSPPSA-N 401.850 2.562 0 50 HFAA O=C(NC[C@@H]1CC2(CC2)CN1C(=O)c1cc(O)cc(Cl)c1)c1cccc(O)n1 1875331359 XBGSTAZLLDUIFM-AWEZNQCLSA-N 401.850 2.571 0 50 HFAA C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(CCO)C(=O)O 2325851533 BHVOLRKVHMKTNJ-ZMZPIMSZSA-N 412.895 2.959 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 640377 XMOBZOZSBZIJOT-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 839909 SPFGKDSDHMOMBX-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 3482613 ILRKISZBVKDQOD-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6702919 YBEVSIOFJIIISS-IBGZPJMESA-N 409.511 2.952 0 50 HFAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nnnc1CN1CCCC1 11873505 TXYFIXOXJHNBKU-QFIPXVFZSA-N 407.522 2.532 0 50 HFAA COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N4CCCCC4)C3)c2C1=O 11913485 AFDUSZBGTWCEKU-QGZVFWFLSA-N 413.518 2.548 0 50 HFAA CC[C@@H]1CN(CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 11997452 ACOUOZIBUDBRNN-OAHLLOKOSA-N 422.576 2.737 0 50 HFAA CCn1cc(CN2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)c(C)n1 12308391 VEKRZKXAPAIDDT-UHFFFAOYSA-N 424.593 2.599 0 50 HFAA COC(=O)CC[C@@H](C)N1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 12429639 UGEVUGZQQRFGJB-OAHLLOKOSA-N 404.507 2.772 0 50 HFAA O=C(CN1CCN(Cc2cccc(F)c2)CC1)Nc1ccc(Br)cn1 22752708 DSIOWKPSSWKGQU-UHFFFAOYSA-N 407.287 2.740 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCc3ccccc3C2)c1=O 23311879 LSXYFMRSQCASRC-UHFFFAOYSA-N 415.493 2.845 0 50 HFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1Cl 169762698 UCUVPXWEVGQCAC-UHFFFAOYSA-N 402.857 2.874 0 50 HFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)C1=CC[C@H]2C1=CC(=O)OC1 257349269 MXFWAFDRZXOGBT-LHWCDSJOSA-N 402.487 2.589 0 50 HFAA CCc1nc(CC(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)cs1 328607939 XPVJDELFNZKBLQ-INIZCTEOSA-N 403.552 2.513 0 50 HFAA C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H]1CC[C@H](N2CCCCC2)C1 408516790 YSLJVPMRIJLSGH-NXMSCROESA-N 424.545 2.509 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N(Cc2cccc(C)c2)C[C@H]2CCCO2)cs1 823836853 MAUFHQGHINBKBM-MRXNPFEDSA-N 408.545 2.786 0 50 HFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 888088704 MRIFEQJWJRWZHC-UWVAXJGDSA-N 409.534 2.639 0 50 HFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)CC2 1506420773 BAXRICPGUVSORM-OAQYLSRUSA-N 411.546 2.542 0 50 HFAA Cc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3ccc4c(c3)OCO4)C2)s1 1857686101 IAEXUEDATWBRFO-IIBYNOLFSA-N 400.500 2.550 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 1875253027 MYQHTFCOLVGTLR-HXUWFJFHSA-N 401.470 2.759 0 50 HFAA O=C(N=c1nc2cccc(Br)n2[nH]1)N1CCc2c(F)ccc(F)c2C1 1875345031 TUAZBCCGUMWLAX-UHFFFAOYSA-N 408.206 2.782 0 50 HFAA CC[C@H]1CN(C/C=C/CN2CCN(CC(F)F)[C@@H](CC)C2)CCN1CC(F)F 2325717129 KRYJJOSYDVSFBH-ZBKUBXTQSA-N 408.528 2.865 0 50 HFAA CO[C@@H](C(=O)NCC(=O)Nc1ccc2c[nH]nc2c1)c1ccc(Br)s1 2325861729 ZARFDNJCHXXKME-OAHLLOKOSA-N 423.292 2.829 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 4119242 VGTYDUCMRFYZMO-UHFFFAOYSA-N 417.575 2.920 0 50 HFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1csnn1 11844574 MTJDEDQJMVXVPQ-MRXNPFEDSA-N 405.543 2.593 0 50 HFAA CC(C)(CO)CNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11999415 ARHMXARCTDRXRT-SFHVURJKSA-N 408.546 2.983 0 50 HFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@H]2OCCc3ccccc32)c1=O 15071365 AYULCVQCWIHBAB-OAQYLSRUSA-N 423.513 2.757 0 50 HFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CNC(=O)C2)CC1 95531206 UQFAUZKHBPPTRI-HXUWFJFHSA-N 401.551 2.528 0 50 HFAA O=C(N[C@@H](CO)Cc1ccccc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 252478098 ADGCGQMXNJKKBS-XVAXZDLZSA-N 419.525 2.923 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cncc3ccccc23)C1 328606767 SXZMPJHAUMPGRY-HXUWFJFHSA-N 419.529 2.590 0 50 HFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 409415020 RGZYSWNNGTWUCA-PZJWPPBQSA-N 413.566 2.954 0 50 HFAA biogenic CCN(Cc1ccccc1CS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1506395817 HVALAPURTPDKJK-LJQANCHMSA-N 407.557 2.670 0 50 HFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@H]2CN(S(C)(=O)=O)CCO2)s1 1857685431 JAHHUZSAEBXRKV-HNNXBMFYSA-N 418.544 2.642 0 50 HFAA N=c1[nH]c(CCNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cs1 1857709929 YWEPAIJVWBMKQX-NSHDSACASA-N 405.911 2.926 0 50 HFAA CN(CC(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(=O)c1ccc(F)cc1 1875254410 KWEUSMDCNUWPOG-UHFFFAOYSA-N 401.419 2.917 0 50 HFAA CC(C)(C)OC(=O)N=c1ccn(C(C)(C)c2nc(-n3nnc4ccccc43)no2)[nH]1 1875351360 SXFCHAKOIBEOJZ-UHFFFAOYSA-N 410.438 2.552 0 50 HFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3C)CC2)OCC(=O)N1C 1940198087 MLGHTTZRRGZNEQ-PKTZIBPZSA-N 407.514 2.551 0 50 HFAA COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2Cc2ccccc2)cc1 874171 IQQOOBVQYPPAJD-UHFFFAOYSA-N 424.526 2.953 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 1173752 ROAIYUVWFLHJQS-UHFFFAOYSA-N 420.487 2.667 0 50 HFAA CC(C)CCn1c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C 11663730 KFEYPUIIULSUOH-KRWDZBQOSA-N 412.600 2.600 0 50 HFAA COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(CC(C)C)CC2 11881852 CPOKRUCVYKROQI-UHFFFAOYSA-N 402.466 2.867 0 50 HFAA COc1ccc(C(=O)N(C)CCc2cnn(C)c2)cc1OC1CCN(C(C)C)CC1 12373262 AHYGMWXZROFMNQ-UHFFFAOYSA-N 414.550 2.995 0 50 HFAA CCOC(=O)c1cnc2ccc(Br)cc2c1NCCN1CCOCC1 19792119 BYJDLEJARJGNIJ-UHFFFAOYSA-N 408.296 2.918 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)n1 19840513 OLCJOYWUQBVCLB-NRFANRHFSA-N 409.509 2.784 0 50 HFAA O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O 19881513 DCVGDTCQGDQKSA-LBPRGKRZSA-N 407.245 2.967 0 50 HFAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1 20538798 KFJHKJAZZXUXDU-UHFFFAOYSA-N 415.563 2.638 0 50 HFAA CCn1cc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)c(C)n1 20614258 IMTZDSBSXVNAPP-UHFFFAOYSA-N 405.499 2.518 0 50 HFAA CN1Cc2ccccc2C[C@H]1CNC(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 20906910 GVNZYZXYYPWRPG-SFHVURJKSA-N 420.469 2.571 0 50 HFAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239135352 LCTXSWVICRZEPS-HCTIHVIFSA-N 421.493 2.799 0 50 HFAA COc1cc(CNC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cc(OC)c1 328607787 XDOCFEIIYLYIHR-HRAATJIYSA-N 400.523 2.915 0 50 HFAA CC[C@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(=O)N(C)C 426490306 MNRJKSIFAFIVKL-KRWDZBQOSA-N 404.536 2.508 0 50 HFAA CCCN1C[C@H](NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)CC1=O 670447669 YYRXQURKFFSGDU-SNVBAGLBSA-N 423.438 2.711 0 50 HFAA Cc1cc(C(=O)N(C)CCn2cc(Br)cn2)ccc1N1CCOCC1 1436600355 RTMRQOWHZOODCL-UHFFFAOYSA-N 407.312 2.563 0 50 HFAA COc1nc2c(cc1C(=O)N1C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C1)CCC2 1529144256 VBWUWZLKUUFOBF-VGOFRKELSA-N 403.482 2.803 0 50 HFAA OC[C@]12CN(CCCn3cccn3)C[C@@H]1CN(c1nc(-c3ccccc3)cs1)C2 1772812994 USEBSOKOTKHRLK-DENIHFKCSA-N 409.559 2.827 0 50 HFAA Cc1nn(C)cc1CN1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)CCO2 1857706110 AGJKCHRBYDJSEI-UHFFFAOYSA-N 400.498 2.651 0 50 HFAA CN(C)CC(=O)N1C[C@H]2[C@@H](NC(=O)CCc3nc4ccccc4s3)CCC[C@H]2C1 1857709442 XYMZCEKRIXXIQQ-BBWFWOEESA-N 414.575 2.534 0 50 HFAA Cn1cc(S(=O)(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c(O)nc1=O 1875343922 YIRFDISPJGKBHR-UHFFFAOYSA-N 424.438 2.627 0 50 HFAA Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](N)C(=O)O)cc2)sc1Br 2325789130 SWWBWTRNGAHYTD-NSHDSACASA-N 419.322 2.574 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)[C@H](C)c2ccc(Cl)cc2)cc1 2325842099 OFXOQSUFSSRPKC-CYBMUJFWSA-N 424.906 2.612 0 50 HFAA CCOc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 821559 MGRFMHTYVZEQHJ-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 916208 SNTUIMQFLMFKJO-CYBMUJFWSA-N 406.460 2.607 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 4662706 PFFGSBIVHXEFOP-UHFFFAOYSA-N 416.496 2.666 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697634 FDWQGJAZDJUMSN-UHFFFAOYSA-N 404.474 2.976 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2ccnn2C)O3)n1 12455566 PUXMALCPFXSEKE-CYBMUJFWSA-N 415.906 2.986 0 50 HFAA Cc1c([C@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cnn1C 14979549 IJIXKHRNZOSLDN-HNNXBMFYSA-N 410.518 2.999 0 50 HFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccccc2F)c1=O 14993303 SYQHSBSRNQMKAF-UHFFFAOYSA-N 421.472 2.910 0 50 HFAA CCOC(=O)C[C@H]1COCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C 19228427 YAVDUDIHXZJAMR-KRWDZBQOSA-N 402.447 2.591 0 50 HFAA O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CN2CCOCC2)cc1 20567865 AOCCTVHGXBWVGW-HXUWFJFHSA-N 423.513 2.680 0 50 HFAA O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1 36366227 UUEHQCHQSSDSJY-UHFFFAOYSA-N 401.517 2.820 0 50 HFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)nc(C)n2)n1 65361797 WBFLTNAAKHRYKE-SFHVURJKSA-N 420.517 2.704 0 50 HFAA Cc1cc(C)cc(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 72119111 GNLMCJGKJAKGRX-UHFFFAOYSA-N 415.559 2.657 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 72433937 VRDHYLNOQSASJR-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCC1)CC2 77555438 BPVADQYPDXEKHB-IBGZPJMESA-N 406.548 2.561 0 50 HFAA O=C(O)CC[C@]1(CCC(=O)N2CCC(Cc3ccccc3F)CC2)CCC(=O)N1 223755296 YDGBDTCOUMXAOR-JOCHJYFZSA-N 404.482 2.901 0 50 HFAA CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cn1 426901617 VGQARZCOBCFHCO-UHFFFAOYSA-N 404.470 2.753 0 50 HFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC2(CCCC2)c2ccccc21 434064584 XNUTWMREVPUJOL-UHFFFAOYSA-N 403.490 2.594 0 50 HFAA CC1(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4cc(C5CC5)no4)[C@H]4CC[C@]3(C2)O4)CCCC1 1857734158 LXGCWIUCZCYBPY-MERUMYRGSA-N 413.518 2.868 0 50 HFAA COC(=O)c1coc(CN2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)n1 2356158496 MMYNPWFBAPKDDU-UHFFFAOYSA-N 402.447 2.542 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 658924 FGTGLNZSAZIHHU-AWEZNQCLSA-N 422.503 2.896 0 50 HFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nn1c(S)nc2ccccc2c1=O 2791208 LWJFLMPFGWSPMW-UHFFFAOYSA-N 409.393 2.548 0 50 HFAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cccnc1)CC2 11791092 BHCIYRONLKGULN-CQSZACIVSA-N 412.444 2.501 0 50 HFAA CN1C(=O)C[C@](CC(=O)N2CCC(c3ccncc3)CC2)(c2ccccc2F)C1=O 11971669 RRQMFKOFTSIPTN-QHCPKHFHSA-N 409.461 2.644 0 50 HFAA COc1ccc(OC)c(Cc2nnc(CCC(=O)N[C@@H](C)c3nccs3)o2)c1 12586159 DSGIOBOWAYUOIY-LBPRGKRZSA-N 402.476 2.944 0 50 HFAA Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13682047 QFDFZRFRKYHSRG-HNNXBMFYSA-N 404.488 2.868 0 50 HFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 14540745 VGUMLWJYHIORCO-GOSISDBHSA-N 417.550 2.780 0 50 HFAA Cc1ccc(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)o1 14755803 NKPMNNGIZHMFMG-KRWDZBQOSA-N 408.502 2.826 0 50 HFAA Cn1c(C(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc2ccccc21 15065577 HOAKSYFDLNUKKA-KRWDZBQOSA-N 421.501 2.827 0 50 HFAA CCn1ncc(CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1C 17082737 PTRJMCKUSANAHZ-LBPRGKRZSA-N 403.552 2.567 0 50 HFAA CC(=O)N1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 19720321 MBRZHMBDCDOOSJ-FQEVSTJZSA-N 421.950 2.524 0 50 HFAA Cc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55053688 AAOOZQHWNVQFDP-LJQANCHMSA-N 403.885 2.794 0 50 HFAA Cc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67604179 UADWHQYDWCVQKP-UHFFFAOYSA-N 401.532 2.633 0 50 HFAA CC(=O)N[C@@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 71759411 FMUNPEQXAHMGMB-MRXNPFEDSA-N 403.552 2.513 0 50 HFAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@H](C)O)nc2c1=O 72436201 UVUYAESTXOUMAP-AWEZNQCLSA-N 414.893 2.893 0 50 HFAA Cc1ccn(-c2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)ncn2)n1 72441612 JJRBWJRRWPLZAX-UHFFFAOYSA-N 400.845 2.726 0 50 HFAA CN1C(=O)C2(Cc3ccccc3N3CC[C@H](c4ccccc4)[C@H]32)C(=O)N(C)C1=S 229914789 IQOVOUHZEWCXTA-MJGOQNOKSA-N 405.523 2.807 0 50 HFAA CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 252007933 QBDJJGBHPUPEBW-QKNQBKEWSA-N 414.594 2.746 0 50 HFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC[C@H]3c3ncon3)cc2C[C@H]1C 252512731 VDMBKHSFTWDGCN-ACJLOTCBSA-N 404.492 2.673 0 50 HFAA CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](CC)CN1CC(C)(C)O 252533101 FVMMINMOUJMXMZ-KBPBESRZSA-N 405.465 2.923 0 50 HFAA O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@@H]1CCCN(c2ccccn2)C1 299800395 WEKOGMHVWGFBSF-MOPGFXCFSA-N 415.497 2.875 0 50 HFAA COC(=O)[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1 470684610 VQNCSHPZXMPXFW-NRFANRHFSA-N 406.438 2.696 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(C4CCOCC4)C3)cc2)CC1 823765108 VQWAEPAFXRLCRA-GOSISDBHSA-N 401.551 2.989 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCCOc2cccc3cccnc23)CC1=O 824819748 HCSFGNGIURSVED-IBGZPJMESA-N 419.481 2.787 0 50 HFAA CCc1nc2cc(NC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3)ccc2n1CC 952962503 FPDUKMHTRPFLNL-OAQYLSRUSA-N 419.529 2.948 0 50 HFAA C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1[C@H](O)c1ccccn1 1297426236 ISAUAARTUDMZJB-QKKBWIMNSA-N 415.453 2.797 0 50 HFAA CSc1nn2c(=O)cc(CN(C)Cc3cc(-c4ccncc4)no3)nc2s1 1506422803 RHZMPAQHJCHLTJ-UHFFFAOYSA-N 400.489 2.555 0 50 HFAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCC(Oc2ccccc2F)CC1 1529151137 FSHMUSXNOHNSFK-UHFFFAOYSA-N 400.450 2.992 0 50 HFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccc(Cn3cccn3)cc2)C[C@H]1O 1704315888 QENSLPUJIYNLBG-ISKFKSNPSA-N 405.498 2.812 0 50 HFAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1C[C@@H]2COCC[C@]2(CO)C1 1772707066 SKQVJTDQYJPNDP-UZUQRXQVSA-N 405.454 2.875 0 50 HFAA CN(C)C[C@@H]1OCCN(C(=O)c2cnc(-c3ccncc3)nc2)[C@H]1c1ccccc1 1857722452 IRFAXFZWWKQBDA-SFTDATJTSA-N 403.486 2.683 0 50 HFAA Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1 807412 PUFRVAXJGCICDW-UHFFFAOYSA-N 423.542 2.973 0 50 HFAA CN1C(=O)c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2C1=O 1152102 UDRJFOIYWJBRBD-UHFFFAOYSA-N 418.272 2.802 0 50 HFAA Cn1ccc(CNC(=O)c2ccn(COc3ccc(Br)cc3Cl)n2)n1 2797864 AHDPRVVQBOICNJ-UHFFFAOYSA-N 424.686 2.999 0 50 HFAA COC(=O)CCCn1nc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 4771347 HCZBLPFSOXPESK-UHFFFAOYSA-N 405.451 2.731 0 50 HFAA COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2C2=NN(c3ccccc3)C(=O)C2)cc1 5527084 MADLDRDRFLWQSC-XMMPIXPASA-N 419.505 2.891 0 50 HFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 11816909 BGGNVEFAJWGBKQ-KRWDZBQOSA-N 408.506 2.925 0 50 HFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCOCC1 11874630 WXPFLWQTBYSCLW-IBGZPJMESA-N 405.558 2.855 0 50 HFAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 12073221 FYNISAASYINGJU-HSZRJFAPSA-N 405.542 2.858 0 50 HFAA COc1ccc(C[C@]2(CCC(=O)NCCCc3cccnc3)CCC(=O)N2)c(F)c1 12164553 FGGXTYCKTITRSS-QHCPKHFHSA-N 413.493 2.950 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)nn1 12326672 ILESZBKBZHIJQW-KRWDZBQOSA-N 401.511 2.614 0 50 HFAA COc1ccc(CN(C)CCc2c(C)n[nH]c2C)c(OC[C@H](O)CN2CCCC2)c1 12479359 UKQXHHTZYIPARM-HXUWFJFHSA-N 416.566 2.545 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(OC)c1OC)C2 14754023 HUAGPPUSDVEAHO-KRWDZBQOSA-N 412.534 2.803 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 18137140 QWXFXTUWBKZIKH-SFHVURJKSA-N 414.303 2.903 0 50 HFAA Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc12 19909117 JFIRXVDEZJPDCW-IBGZPJMESA-N 412.461 2.802 0 50 HFAA O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CN(Cc2ccccc2)CCCO1 225827293 ZDWAIQFVARNWRI-DVECYGJZSA-N 421.497 2.507 0 50 HFAA CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)NCCS(=O)(=O)C(C)(C)C 253417577 AZCQONJGAVASKV-AWEZNQCLSA-N 404.573 2.742 0 50 HFAA CC(C)(C)OC(=O)NCCCN1CCN(Cc2nc(-c3cccs3)no2)CC1 253430830 MAXQCTZJDKWYCI-UHFFFAOYSA-N 407.540 2.831 0 50 HFAA Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)cnn1-c1nccc(-c2ccco2)n1 299764664 BUBWJNHQLFGNBN-HNNXBMFYSA-N 417.425 2.801 0 50 HFAA Cc1nnc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c2ccccc12 299797293 NIHVMLDMIKCPIG-FQEVSTJZSA-N 423.561 2.700 0 50 HFAA O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H](Oc1ccccc1)c1ccccc1 440870286 BSICFGMWVBLMSE-NRFANRHFSA-N 414.527 2.880 0 50 HFAA O[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1N1CCCCC1 828896808 UOJQFJDPVMDJRZ-GOTSBHOMSA-N 403.530 2.965 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCCc1cnn[nH]1 952887962 HLWWDODHARLFSE-HXUWFJFHSA-N 408.506 2.589 0 50 HFAA COc1ccc(-c2nc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)c(C)o2)cc1O 1857711901 PJJNMVSYWRIBDM-AWEZNQCLSA-N 400.431 2.856 0 50 HFAA C[C@H](NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1)c1n[nH]c(=N)s1 1857716045 UCRQQCQFLLNSAR-VIFPVBQESA-N 406.899 2.839 0 50 HFAA CC(=O)N[C@@H](C)CC(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857735694 GXYMOVIURFMEQO-HNNXBMFYSA-N 408.502 2.570 0 50 HFAA O=C(NC1CCC(C(=O)OCc2cnc(-c3cncnc3)nc2)CC1)C1CCCC1 1875353326 OWCJQFOTUXVHKO-UHFFFAOYSA-N 409.490 2.842 0 50 HFAA CCC(CNC(=O)Cc1ccc2c(c1)COC2)CNC(=O)Cc1ccc2c(c1)COC2 2325725725 VHUSULNOSCGDOJ-UHFFFAOYSA-N 422.525 2.791 0 50 HFAA C[C@H]1c2ccccc2[C@H](C)N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901364 AVLCVNKXQWCXAW-YRVVQQKDSA-N 417.465 2.726 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(C)cc1 631410 OPHOEGXFDSYCQF-GTVARFKMSA-N 408.479 2.700 0 50 HFAA COc1ccc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc1 1093948 RVNVSCVIOPHECC-UHFFFAOYSA-N 417.483 2.939 0 50 HFAA CN(C)CCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10111667 RZVHVLZLMNGCOU-UHFFFAOYSA-N 409.939 2.598 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccccc1F 11754006 UAEWIGGBVTWJTK-JOCHJYFZSA-N 405.473 2.986 0 50 HFAA CN(C)C(=O)c1ccc(N2CCC(NCCCn3nnc4ccccc43)CC2)cc1 12451580 NOYSRYYOURGFCH-UHFFFAOYSA-N 406.534 2.782 0 50 HFAA CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12865224 CBGUIIDFTJUBEU-UHFFFAOYSA-N 409.552 2.598 0 50 HFAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cncs2)CC1=O 14534998 QSTRXJBVUHPRRI-QGZVFWFLSA-N 405.495 2.808 0 50 HFAA Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)n1 14965696 RHFZNIJOHXCILZ-UHFFFAOYSA-N 408.424 2.862 0 50 HFAA CC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 19840060 XUXCBLYSVKWKFE-JOCHJYFZSA-N 404.986 2.937 0 50 HFAA CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc(C)c1C 20027107 TUECAJWPODQVGZ-UHFFFAOYSA-N 402.520 2.697 0 50 HFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CNC(C)=O)C3)cc2)c1 20858517 AQODCAOPEPHZLY-LJQANCHMSA-N 409.486 2.675 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)ccc1O 36056506 HAOXMWGSLQOXDJ-JTDSTZFVSA-N 424.375 2.813 0 50 HFAA Cc1nc(CN2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)cs1 55099057 HNEJULVRTGIWBD-UHFFFAOYSA-N 422.518 2.712 0 50 HFAA CCS[C@H](C)c1noc(CN(C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)n1 252517129 AMPVVUGJEKJGMP-IAGOWNOFSA-N 417.579 2.958 0 50 HFAA Cn1ncc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1Cc1ccccc1 446296818 WZRUQUQULQFIQZ-HXUWFJFHSA-N 418.497 2.860 0 50 HFAA COc1ccc(C2(CNC(=O)[C@H]3CN(C)C(=O)c4ccccc43)CCOCC2)cc1 468997486 PUFDUJKJJXNMCH-NRFANRHFSA-N 408.498 2.729 0 50 HFAA COCCCCS(=O)(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 476515568 WWMPVXAYPSMRSO-FQEVSTJZSA-N 421.563 2.678 0 50 HFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c3ccccc3n2)o1 744626708 SSDBAGHEHIHCLJ-LFVRLGFBSA-N 418.453 2.911 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCCN(C)C4(CCN(C)CC4)C1)(C3)C2 1506400501 WAKLRAITVABRCW-NQRVTCLYSA-N 403.611 2.726 0 50 HFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(N4CCCC4)c(Cl)c3)C[C@@H]12 1704298941 MKMMULODEQCZDB-NQIIRXRSSA-N 405.926 2.951 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704302713 RPDXAUDRPHLMOB-JZWVFAODSA-N 413.539 2.997 0 50 HFAA CN(CC(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1)Cc1ccc(F)cc1 1704339171 FJDORBGWNMBVAK-QHCPKHFHSA-N 411.525 2.620 0 50 HFAA O=C(CCn1ccnc1)Nc1cccc(NC(=O)c2nnc(O)c3ccccc23)c1 2325712552 BRQFRPSQZPVULF-UHFFFAOYSA-N 402.414 2.813 0 50 HFAA CO[C@H]1CC[C@@H](C)N(c2nnc(-c3cc(F)ccc3C)n2CCC(=O)N(C)C)C1 2325840012 LQAPZCKKZNDGFG-WBVHZDCISA-N 403.502 2.875 0 50 HFAA COc1ccccc1OCc1nc(-c2cnc(-c3ccccc3)n2C)n(CCO)n1 2356156934 XIXQRAPOTWHIED-UHFFFAOYSA-N 405.458 2.926 0 50 HFAA COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1 875766 WCUORLDEYZTEFD-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccnc1 1093775 KPHCBGGAQGLOAQ-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 2841997 OVKOPZMAKSFCLW-UHFFFAOYSA-N 416.858 2.756 0 50 HFAA CCn1cc(NC(=S)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)c(C(N)=O)n1 2856920 BDBAUBGIBKHBKD-SECBINFHSA-N 421.548 2.784 0 50 HFAA Cc1cc(C)cc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)c1 6527780 LHJCJLCOKORHGE-SFHVURJKSA-N 414.359 2.957 0 50 HFAA COC(=O)C1=C(C(=O)OC)[C@H](c2cc(Cl)ccc2O)c2sc(=O)[nH]c2S1 9185122 MTISMAGUQKTMPF-VIFPVBQESA-N 413.860 2.633 0 50 HFAA Cc1nc2ccc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)cc2[nH]1 11935683 KCENWGXLXJOAPV-UHFFFAOYSA-N 411.550 2.713 0 50 HFAA CC(C)c1nc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cs1 12576266 ZAJTWXPJCPYQQY-CQSZACIVSA-N 417.535 2.915 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCc1cccs1)C2 14540923 LDZVAKTZRSUONO-OAHLLOKOSA-N 404.605 2.843 0 50 HFAA O=C(Nc1sc2c(c1C(=O)NCCCN1CCOCC1)CCCC2)c1ccco1 19792854 SSSKULVZPJAZBL-UHFFFAOYSA-N 417.531 2.924 0 50 HFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(OC)c1OC 20993271 GEJQMFVWKKFXSX-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC(N2CCNC(=O)CC2)CC1 20997962 GGVJHTFUGDWKAX-UHFFFAOYSA-N 404.461 2.715 0 50 HFAA Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)ccc12 30769031 KXRNPWQFQBVVOA-HXUWFJFHSA-N 408.498 2.659 0 50 HFAA Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1 169752454 ABYZMAGOXFZZLS-UHFFFAOYSA-N 406.417 2.742 0 50 HFAA NC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 245256548 QZDYIQDBDYTFAK-JCNLHEQBSA-N 415.515 2.509 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 248317510 MZSUUEUZRZOAQA-ROUUACIJSA-N 402.491 2.539 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccc(OC)c4OC)c3CO2)cc1 263618459 TWYTUIUCXJSMTA-IBGZPJMESA-N 424.457 2.505 0 50 HFAA Cc1ccc2ncc(C(=O)N3C[C@H]4CCC[C@@]4(c4nc(C(C)C)no4)C3)c(=O)n2c1 328602501 BUBOJWDXLJXWDO-IVZQSRNASA-N 407.474 2.703 0 50 HFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H](c1cccnc1)N1CCOCC1 670462254 TVFSBPBZWWWELQ-HXUWFJFHSA-N 413.909 2.734 0 50 HFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 952868169 CGUWJQLUXQWEHA-NWLMGIFWSA-N 420.561 2.592 0 50 HFAA CN(Cc1cccn1S(=O)(=O)c1ccccc1)C[C@H]1CC(=O)N(C2CCCC2)C1 952973331 CKGNROURBSHOHU-GOSISDBHSA-N 415.559 2.948 0 50 HFAA Cc1cccc(-c2noc(CN(C)CC(=O)Nc3nnc([C@H]4CCCO4)s3)n2)c1 1529197600 SWIVUNUDQPYUOI-CQSZACIVSA-N 414.491 2.819 0 50 HFAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCc2nnc3ccccn23)CC1 1775942363 DYAHPFJUOMPIOH-QAQDUYKDSA-N 403.486 2.808 0 50 HFAA COc1cc(-c2nccn2-c2ccc3ncn(C)c3c2)cc(Cl)c1OCC(N)=O 1775983277 VEHZIWIXNOJCJA-UHFFFAOYSA-N 411.849 2.952 0 50 HFAA Cc1c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cnn1-c1ccccn1 1875250670 VXSHLSILFZJJEU-SVFBPWRDSA-N 403.486 2.520 0 50 HFAA CCCCn1c(COC(=O)c2cnc(C(C)C)[nH]2)nc2cc(S(N)(=O)=O)ccc21 1875253262 CQWIKPKBHFYXRD-UHFFFAOYSA-N 419.507 2.687 0 50 HFAA Cc1[nH]nc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)c1-c1ccccc1F 1875335721 DNZPQQSNYSEAAF-UHFFFAOYSA-N 405.455 2.940 0 50 HFAA CN1CCN(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3Cl)s2)C1=O 2100556850 KJOUXHVSCZVAEZ-UHFFFAOYSA-N 400.291 2.742 0 50 HFAA Cc1nc(O)nc(O)c1CC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 2325824675 MCTHPTINQAQXDZ-GOSISDBHSA-N 404.470 2.955 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 1073189 YJSZTVYWSFUPAR-OAHLLOKOSA-N 420.462 2.652 0 50 HFAA Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 2782801 CELGHOUTOLYGCZ-UHFFFAOYSA-N 402.878 2.777 0 50 HFAA COc1ccc(Cl)cc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 2869015 OOJGUELRTJMLSI-UHFFFAOYSA-N 410.879 2.956 0 50 HFAA CCCCS(=O)(=O)C[C@H](COC(=O)c1ccc(C)cc1)S(=O)(=O)CCCC 5102290 XEWDPZQZXORALP-SFHVURJKSA-N 418.577 2.950 0 50 HFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NCc2csc(C)n2)c1 12149970 FEQZRSNCKXKXOT-UHFFFAOYSA-N 413.503 2.544 0 50 HFAA CSc1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380931 WXIHUMDEMQGBQA-CYBMUJFWSA-N 422.528 2.973 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnn(C)c4C)C3)C2=O)c1 12714030 MUSBZDLDXRUCGU-JOCHJYFZSA-N 400.498 2.891 0 50 HFAA CNS(=O)(=O)c1ccc(NC(=O)c2cc3nccc(-c4cccs4)n3n2)cc1 13644373 FQTXBYUGBLKGCW-UHFFFAOYSA-N 413.484 2.618 0 50 HFAA COc1ccc(OCc2nc(C(=O)N3CCN(c4cccc(C)n4)CC3)co2)cc1 14948204 HPCDXKBANYJTDS-UHFFFAOYSA-N 408.458 2.928 0 50 HFAA CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)N1CCOCC1 16624897 UCGXWSHUYANTNX-UHFFFAOYSA-N 406.529 2.990 0 50 HFAA CC(C)N1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)CC1 19839876 PVSWTVOZVHMQHD-UHFFFAOYSA-N 422.570 2.779 0 50 HFAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 49550307 ZBZUUBGIWYAATL-UHFFFAOYSA-N 414.918 2.974 0 50 HFAA COc1ccc(-c2coc3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc23)cc1 217642485 XKGSFHXPVDGLPL-HNNXBMFYSA-N 415.467 2.791 0 50 HFAA biogenic CC[C@@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 225397465 OKQDFLUYYKRLBH-HNNXBMFYSA-N 422.894 2.838 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1OC 426677929 GKIUJBYJDXBLGL-QHCPKHFHSA-N 410.518 2.690 0 50 HFAA CC(=O)N1CCN(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC12CCCCC2 448062577 CUEBMUADBXCJSC-KRWDZBQOSA-N 403.527 2.713 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)c1C 1772708764 JPOGYUQGTLIFGC-QPPBQGQZSA-N 408.546 2.773 0 50 HFAA O=C(CCc1cnccn1)N[C@H]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 1857694685 UMQNRLRIGWYTNI-AEFFLSMTSA-N 405.502 2.996 0 50 HFAA CCN1CCC[C@H](Nc2ncncc2C(=O)N[C@H](CF)c2ccc(OC)cc2)C1 1875361165 SMJJQTLIYHRYPU-QFBILLFUSA-N 401.486 2.822 0 50 HFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@]2(CCc3c[nH]c(=N)nc32)C1 2356137110 FWKYOQFATORMTF-HSZRJFAPSA-N 403.486 2.902 0 50 HFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 12719088 ZTWGTTUOYWAKRO-SFHVURJKSA-N 402.514 2.537 0 50 HFAA CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(CCOc3ccccc3)n2)n1 16652163 SIVXHDXZLBGENV-UHFFFAOYSA-N 411.466 2.552 0 50 HFAA O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccncc1 40396644 WFRSRFLNISCPDZ-UHFFFAOYSA-N 400.373 2.629 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC(=O)NC[C@H]4C)co3)cc2c1 67884281 MDQUXYTYLHCVIQ-CQSZACIVSA-N 409.442 2.766 0 50 HFAA CC(C)Cn1cncc1CN1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71405749 VOTBBBCARCKTJB-FQEVSTJZSA-N 401.599 2.838 0 50 HFAA O=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCSCC1 91724619 MVJFNKDDMRYQQZ-NRFANRHFSA-N 413.631 2.906 0 50 HFAA COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(F)cc4)nn23)c(OC)c1 169778399 KBQKHJZBJILKJZ-UHFFFAOYSA-N 407.405 2.878 0 50 HFAA CCCn1c(CN2CCCC[C@H](COC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 170597087 PYIFVKHWSPMNQD-KRWDZBQOSA-N 422.595 2.945 0 50 HFAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)c2C(N)=O)C1 239173971 PAJFERHLFUXCEV-IKNRFXQBSA-N 406.504 2.569 0 50 HFAA COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(=O)oc2c1OC 252693018 ABORBXNFRAQBPR-HDJSIYSDSA-N 417.458 2.668 0 50 HFAA biogenic CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc21 253424973 NCHDDJYMLMOHOO-UHFFFAOYSA-N 415.450 2.711 0 50 HFAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 328607951 XRFDNTOAXCHUHP-PMPSAXMXSA-N 410.474 2.584 0 50 HFAA O=C(CC1(n2cccc2)CCSCC1)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088911 XDBXYMJJYMDXLO-GBESFXJTSA-N 401.576 2.960 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1CCC[C@H]1c1nc(-c2cccnc2)no1 952973027 JSUSCIIECGTALJ-IBGZPJMESA-N 405.458 2.946 0 50 HFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952988248 PGHDQBQQGRFABM-UHFFFAOYSA-N 400.504 2.664 0 50 HFAA CSCC(=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CCC(=O)O)C1 1772813736 RGVBSEFQXWZIIL-KKSFZXQISA-N 402.516 2.921 0 50 HFAA O=C(CNc1cccnc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698798 IOZTUFDJSXENOA-HSZRJFAPSA-N 416.485 2.558 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3)CC(=O)N2[C@H]1c1ccccc1 1857731650 NQDSIALBCBIEHY-FIKGOQFSSA-N 400.425 2.912 0 50 HFAA CCO[C@@H]1C[C@@H](NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2 1875330531 SDRWBSOLNQHGGT-ZIAGYGMSSA-N 401.429 2.942 0 50 HFAA O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1nn(-c2ccc(F)cc2)cc1Br 2325820586 FDNHTQGTOMVZSM-JTQLQIEISA-N 424.148 2.909 0 50 HFAA Nc1ccc(Cl)nc1C(=O)N1CC[C@@H]2[C@@H](NC(=O)/C=C/C=C(Cl)Cl)[C@@H]21 2325872615 GJYDVPKQNPHRRN-FDHFRADQSA-N 401.681 2.522 0 50 HFAA COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(OC)c1 792217 RTAPFZXOLWMKAT-UHFFFAOYSA-N 409.490 2.505 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC(c1ccccc1)c1ccccc1 2344355 NWDZPPCOKPCIAS-UHFFFAOYSA-N 402.450 2.980 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nncn4CC)CC3)C2=O)cc1 2885256 HWACEYURBBJMBL-IBGZPJMESA-N 411.506 2.598 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)NCCc3c[nH]cn3)CC2)CC1 12433794 XAVPOTDCAIDKNN-UHFFFAOYSA-N 409.578 2.753 0 50 HFAA CN1CCCC[C@@H]1C(=O)NCCc1nnc(SCc2cccc(Cl)c2)n1C 14964069 CLCASGKNVONIDN-MRXNPFEDSA-N 407.971 2.904 0 50 HFAA Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2C)cc(N2CCOCC2)n1 72434134 YIBVQAWIUXOHMK-UHFFFAOYSA-N 404.902 2.817 0 50 HFAA O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(-c2ccccc2)cc1 72437996 GJRHJOACTASGLD-UHFFFAOYSA-N 403.486 2.822 0 50 HFAA COC[C@H](C)n1c(CCCC(=O)N2CC(n3nc(C)cc3C)C2)nc2cccnc21 77471223 SOJMSYPVMNQQCE-KRWDZBQOSA-N 410.522 2.858 0 50 HFAA C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229510923 RHNLCSAJEYDXQE-LDDOYCOJSA-N 400.475 2.545 0 50 HFAA O=C(c1cnn(-c2ccc(Cl)cc2)n1)N1CCC(c2nnc3ccccn23)CC1 751560407 NJGFLOUCUMFTPI-UHFFFAOYSA-N 407.865 2.983 0 50 HFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)c1ccccc1N1CCOCC1 952986071 WNUGHKNGABERAU-UHFFFAOYSA-N 400.385 2.781 0 50 HFAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC2(CCNCC2)CC1 1704312670 HUUQNJRISXJPQG-UHFFFAOYSA-N 410.518 2.784 0 50 HFAA CCn1nc(C)cc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671643 NDJGZQKQBVWNBF-HSZRJFAPSA-N 418.501 2.889 0 50 HFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)C2 1857677427 BGNHTNXWBYOHIF-JOCHJYFZSA-N 405.458 2.536 0 50 HFAA C[C@H](C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1)c1ccccc1 1857723961 FDCQSDPMKSKWFF-KRWDZBQOSA-N 422.529 2.629 0 50 HFAA CN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1 1875350284 HSWIRAPATXOOGW-UHFFFAOYSA-N 403.417 2.907 0 50 HFAA COc1cc(-c2cn(C[C@H]3CCN(C(=O)C[C@H](C)CC(=O)O)C3)nn2)ccc1Cl 1875354240 RYOBXMNEADMRDI-KBPBESRZSA-N 420.897 2.957 0 50 HFAA CC(C)(C)[C@@H](CNC(=O)Cc1nc(C2CC2)cs1)NC(=O)[C@@H](O)c1ccccc1 1875361074 PDUKNZJBJOYWPJ-XLIONFOSSA-N 415.559 2.944 0 50 HFAA COc1cc(CC(=O)O)c(Cc2cc(OC)c(OC)cc2CC(=O)O)cc1OC 1189225 AHTLWEDDKQKDOW-UHFFFAOYSA-N 404.415 2.566 0 50 HFAA biogenic COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Br 2980834 HDVDLDIYCNDVRW-UHFFFAOYSA-N 421.276 2.754 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)CCC2CCOCC2)CC1 12594022 QBXGYJNGMGSZQG-UHFFFAOYSA-N 418.534 2.592 0 50 HFAA O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)NCCc1ccccc1 13523784 VPWYETIRVMJYLO-UHFFFAOYSA-N 405.483 2.560 0 50 HFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCC1(O)CCCCC1)CC2 14536792 OKSBNIRNYFNIEO-SFHVURJKSA-N 402.583 2.965 0 50 HFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ccc(O)cc1)CC2 14754172 AJUPYPQRKUYBCY-UHFFFAOYSA-N 400.523 2.569 0 50 HFAA COc1ccccc1CN1CCN(C(=O)c2cn(Cc3ccccc3C)nn2)CC1 14958652 YIORARQIUKUSHZ-UHFFFAOYSA-N 405.502 2.601 0 50 HFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C(=O)c1ccccc1 14959569 ITJMJRGNTMGKJH-JOCHJYFZSA-N 415.578 2.541 0 50 HFAA Cc1c(CC(=O)N[C@H]2CCCCNC2=O)c2c(n1Cc1ccccc1)CCCC2=O 14959867 UDZWFHZMMYWAGY-IBGZPJMESA-N 407.514 2.691 0 50 HFAA CSCCCNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20454121 XLANMVVLJSGZBU-WEVVVXLNSA-N 414.575 2.989 0 50 HFAA CC(C)Cn1c(CN2CCC[C@H](OCc3cccnc3)C2)cnc1S(C)(=O)=O 55098790 AHEHKNUHHJIDBQ-IBGZPJMESA-N 406.552 2.519 0 50 HFAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 248149602 VFSPTJATRPQFKQ-WMZHIEFXSA-N 405.454 2.880 0 50 HFAA C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 252457512 NZAPRDHFUZSVPG-YYIAUSFCSA-N 408.502 2.833 0 50 HFAA COCCn1c([C@H](C)NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 252492682 MSDTUDTZQOANRB-JKSUJKDBSA-N 406.486 2.904 0 50 HFAA C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H]1CC[C@@H](N2CCCCC2)C1 408516788 YSLJVPMRIJLSGH-HOOSLVGPSA-N 424.545 2.509 0 50 HFAA COc1ccc(-n2nc(C(=O)N[C@H](C)c3nc(N)n[nH]3)cc2-c2ccccc2)cc1 426511835 WJLUKQWSTHPICF-CYBMUJFWSA-N 403.446 2.739 0 50 HFAA O=C1CCCCN1c1ccc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)cc1 670452591 BZSMKJYDBUPVJE-UHFFFAOYSA-N 402.520 2.674 0 50 HFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc2ccccc2cc1O 1565507791 JSUHPJSCXQCRDV-QAPCUYQASA-N 402.454 2.712 0 50 HFAA OCCNc1cc(N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)ncn1 1704335307 MWMFQYMBESUDTM-HSZRJFAPSA-N 402.502 2.822 0 50 HFAA Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704349963 IZRSDWYLKRRTKZ-WZONZLPQSA-N 400.482 2.955 0 50 HFAA O=C(CCc1cccnc1)N[C@H]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 1857693258 OPHJBCYLWDWOPK-FCHUYYIVSA-N 417.513 2.726 0 50 HFAA COc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cccnc4C)[C@H]4CC[C@]3(C2)O4)cc1 1857719848 VVHPZGVDBOLMIP-JVNMPXIPSA-N 407.514 2.808 0 50 HFAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 1166109 AZHBWIZQNJFDFT-CQSZACIVSA-N 422.503 2.896 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 4854129 YKFIFRDOVCABKT-SFHVURJKSA-N 402.516 2.802 0 50 HFAA COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 12034247 INOZSPCKTNVZEK-ZGRWHYIRSA-N 421.501 2.942 0 50 HFAA COC(=O)c1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 12219109 WNLXCKVPCAMHAM-IBGZPJMESA-N 411.506 2.528 0 50 HFAA COc1ccc(CCNC(=O)c2cn(Cc3cccc(Cl)c3)nn2)c(OC)c1 12228134 CWPTWSRBVJEDIK-UHFFFAOYSA-N 400.866 2.970 0 50 HFAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 14542766 SUOQNTDFKAHARK-UHFFFAOYSA-N 423.561 2.978 0 50 HFAA Cc1ccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3ccc(F)cc3)n2)cc1 19300798 OPGUWOQSMLYJLB-UHFFFAOYSA-N 421.520 2.980 0 50 HFAA NC(=O)C(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 77537242 OTILLFKIYNOQAK-FQEVSTJZSA-N 413.477 2.625 0 50 HFAA O=C(NCCN1CCNC1=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 200558265 VGOVAPAOIMRDND-UHFFFAOYSA-N 423.420 2.837 0 50 HFAA C[C@H](NC(=O)CC[C@H]1N=C(O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C 252497334 QDYOUUWZYRYOQN-WMLDXEAASA-N 405.458 2.860 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)NCC3(N(C)C)Cc4ccccc4C3)CC2=O)cc1F 741601309 QBLVFUIFUHEUDI-IBGZPJMESA-N 409.505 2.702 0 50 HFAA CNc1ncc(C(=O)NCc2cccc(CNC(=O)c3cnc(NC)s3)c2)s1 765402054 BXPRWGMNBDNBIK-UHFFFAOYSA-N 416.532 2.543 0 50 HFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCC([C@H](O)c2nccn2C)CC1 1506403481 BTXNUVMAYTUASC-IBGZPJMESA-N 404.898 2.683 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)C1CCN(c2nc3nc(C)ccc3o2)CC1 1857696980 HISPVHZUMDNOJP-INIZCTEOSA-N 400.479 2.692 0 50 HFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857721885 KLMKCVXQFXNKET-LLVKDONJSA-N 420.872 2.661 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)CCc3c(C)nc(O)nc3C)C2)c2cccc(=O)n21 2356145878 WVQOIASVHCNDOW-SCTDSRPQSA-N 410.518 2.880 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 786697 YWHWDDHASXJIKI-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 1146983 SCASZLCSYABLPV-UHFFFAOYSA-N 402.394 2.973 0 50 HFAA COc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)c(OC)c1 2298843 HLZFUSLLUUXKHO-NVNXTCNLSA-N 417.414 2.585 0 50 HFAA CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 2685637 HYWVNVGDBDEMKG-UHFFFAOYSA-N 424.529 2.702 0 50 HFAA COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 4905537 WXSYERVCFOCYFY-UHFFFAOYSA-N 406.504 2.732 0 50 HFAA COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3OC)NC(=O)N[C@]2(O)C(F)(F)F)cc1 6924861 LGAGAQGJDZRIPH-TXPKVOOTSA-N 424.375 2.808 0 50 HFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 17092278 NBOUAFWGZWAPKT-KGLIPLIRSA-N 420.531 2.929 0 50 HFAA CN1CCN(C[C@H](O)COc2ccc(CN(C)Cc3cccc(Cl)c3)cc2)CC1 19222760 LLZFSLKGSYJBTQ-QFIPXVFZSA-N 417.981 2.959 0 50 HFAA O=C(c1nc2sccn2c1CNCCCN1CCOCC1)N1CCCCCCC1 20455387 XKHFNOCCJUCWFR-UHFFFAOYSA-N 419.595 2.614 0 50 HFAA Cc1ccc(S(=O)(=O)NCc2nnc(NC(=O)Cc3ccccc3)s2)cc1 22590595 UYFHNYXPMNXGSB-UHFFFAOYSA-N 402.501 2.506 0 50 HFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610857 FTINSAGSIPJSIH-UHFFFAOYSA-N 407.923 2.593 0 50 HFAA CCn1nc(C)c([C@H](C)NCc2ccc(OCC(=O)N3CCOCC3)cc2)c1C 55244956 IIEDIYLTFIIGIH-INIZCTEOSA-N 400.523 2.608 0 50 HFAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758731 BWGQKIXDPSCXAF-HXUWFJFHSA-N 408.502 2.533 0 50 HFAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)cc1 169775896 BIWOLKXSYMPITO-UHFFFAOYSA-N 422.510 2.982 0 50 HFAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328602917 DCULFEIYDLSPKP-KRWDZBQOSA-N 405.458 2.586 0 50 HFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)c2)n1 477130748 YGQPWRMNUVLJPR-PJGMFUCSSA-N 418.497 2.659 0 50 HFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)CC3 491491273 DCJDQLRMYVLMAY-VOIUYBSRSA-N 416.481 2.818 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670461900 MHRXJNBNVSFXED-FQKSQLJCSA-N 414.553 2.784 0 50 HFAA CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCSCc3ccccc3)C[C@]2(CO)C1 1772702122 PODSAPLNRWOMLL-XMSQKQJNSA-N 404.576 2.635 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1C[C@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772819559 OYVHCJIMRWRSTA-VGOFRKELSA-N 410.543 2.510 0 50 HFAA O=C(COc1ccc2oc3ccccc3c2c1)N[C@H](C(=O)O)[C@@H](O)c1cccnc1 2325861517 SCZFQABNNPXWMX-SFTDATJTSA-N 406.394 2.663 0 50 HFAA C[C@H](OCC1CC1)C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2occ3c2CCC3)CC1 2332238660 HDCSELNFHHJQKY-MLNJSSBLSA-N 422.547 2.812 0 50 HFAA CCOc1cc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)ccc1OC(C)=O 638259 BRMUREHOPDCVCI-LDADJPATSA-N 407.451 2.690 0 50 HFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OCC)c1 2072985 CHRXYZTUZJRLMP-MRXNPFEDSA-N 412.870 2.994 0 50 HFAA CSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 8869003 QEJAFVSHYHLYGC-SNVBAGLBSA-N 417.965 2.743 0 50 HFAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc(C)c3)n2)CC1 9009916 FVZFBHZVIJFBLF-UHFFFAOYSA-N 405.506 2.837 0 50 HFAA O=C(c1ccc(N2CCC(NCCCc3cccnc3)CC2)cc1)N1CCC[C@@H](O)C1 11791201 UJJVSSXKMRQVKS-XMMPIXPASA-N 422.573 2.870 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)N(C)Cc2ccc3nonc3c2)CCC1=O 11841251 LGUGIBVYYJAKHL-KRWDZBQOSA-N 408.458 2.629 0 50 HFAA Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCCN3CCOCC3)c12 19939593 RRLIHFSGTBZWTN-CQSZACIVSA-N 403.552 2.616 0 50 HFAA CCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1Br 20177094 FGHVBQDDFXVWPR-UHFFFAOYSA-N 413.337 2.828 0 50 HFAA Cc1ccc(NC(=O)CCNC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc1 170616922 RJVCKRRUTTWNDJ-MRXNPFEDSA-N 419.526 2.760 0 50 HFAA O=C(O)[C@H]1CC(=O)N([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 328594460 LMGJWVOXVOWSTD-HOTGVXAUSA-N 420.465 2.943 0 50 HFAA C[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828269744 BMFWTFQKUJGOGN-DPJNIZKKSA-N 411.502 2.583 0 50 HFAA CCN1Cc2nc(OC)c(CNC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)cc2C1=O 952968118 JPTDDSLOXYWWKF-UHFFFAOYSA-N 405.458 2.694 0 50 HFAA CCN1Cc2nc(OC)c(CNC(=O)c3ccc([C@@H]4CCCO4)s3)cc2C1=O 952984988 DJSSUBYVYWMHPI-HNNXBMFYSA-N 401.488 2.909 0 50 HFAA Cc1ccc(N2CCC(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)CC2)cc1Cl 1506424603 KVVJIVOKRVHQFE-UHFFFAOYSA-N 404.942 2.976 0 50 HFAA COc1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@]3(CCC(=O)O)C2)c(C)c1 1772711605 ZUENWRLLJCOPII-CVDCTZTESA-N 402.535 2.781 0 50 HFAA CS(=O)(=O)N1CCC2(CCc3c(N4CCCC4)nc(-c4ccccc4)nc32)CC1 1857693690 HZICVHMLSQUOET-UHFFFAOYSA-N 412.559 2.983 0 50 HFAA CC(C)N[C@@H]1CN2CCCC[C@]2(C(=O)N2CCC(Cc3ccc(O)nc3)CC2)C1 1857696186 QLVVHKOUNGFVHL-NZQKXSOJSA-N 400.567 2.563 0 50 HFAA Cc1cn(CCNC(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)nn1 1857712735 FOSCCHUHMIYSOZ-AWEZNQCLSA-N 402.886 2.804 0 50 HFAA O=C(NCC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1)c1cc(Cl)ccc1Cl 2356153983 CRHXQFXXWBWZPP-IBGZPJMESA-N 407.301 2.953 0 50 HFAA Cc1c(N2C(=O)[C@H](C)S[C@@]23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C 4143897 XIUVWBJVLGVTJB-FPTDNZKUSA-N 420.494 2.758 0 50 HFAA CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 4806480 GVMOJJSNQMXKEJ-KPZWWZAWSA-N 424.881 2.652 0 50 HFAA CCn1cc(C2=NO[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c(C)n1 6802825 SDZZWEBMFIHKKN-IBGZPJMESA-N 401.898 2.707 0 50 HFAA COc1cccc(CCNC(=O)c2cn(Cc3c(F)cccc3F)nn2)c1OC 11933939 KAMURAKFEHSGPH-UHFFFAOYSA-N 402.401 2.594 0 50 HFAA O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 12123631 FUUYLDLPANRFRD-GOSISDBHSA-N 414.465 2.902 0 50 HFAA COc1cccc([C@@H]2CCCCN2C(=O)Cn2nnnc2CN2CCC(C)CC2)c1 12304296 KQTDHSILKAMCJJ-FQEVSTJZSA-N 412.538 2.667 0 50 HFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12320374 PMYVICPMRXERFZ-INIZCTEOSA-N 412.559 2.857 0 50 HFAA O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)[C@@H]1CC(=O)N1CCCCO1 13595481 RCHPPANVJFFOBC-OAQYLSRUSA-N 409.486 2.723 0 50 HFAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1 19838017 QJLWFOFLONOKLL-XMMPIXPASA-N 423.488 2.818 0 50 HFAA CN(CCCN1CCOCC1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 20996121 HIDNIXOOTCIIFS-UHFFFAOYSA-N 419.529 2.710 0 50 HFAA CC(C)Cn1cncc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71405750 VOTBBBCARCKTJB-HXUWFJFHSA-N 401.599 2.838 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)c1 169764152 AKFWBZWKQGNVEE-UHFFFAOYSA-N 414.437 2.510 0 50 HFAA COc1ccc(CNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1OC 169778360 AEDIPFOTMPSOQT-UHFFFAOYSA-N 424.501 2.566 0 50 HFAA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 241132877 JMQYCELZCRPHJR-DMSXTEQDSA-N 406.548 2.529 0 50 HFAA O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346769 BHRADLNCZJJIAN-APDHKMKFSA-N 419.525 2.941 0 50 HFAA biogenic COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@H](OCc4ccccc4)C(=O)[C@@H]3O2)cc1 252430954 VQDQWTWFTKEJMK-NBYDKTAJSA-N 400.427 2.635 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC 252517554 LJWIGFTUPIHQJP-OEPMTFCVSA-N 418.469 2.802 0 50 HFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCO[C@@H](c2ccccc2)C1 252522863 BICHRCLCXAJEDH-WOJBJXKFSA-N 407.470 2.692 0 50 HFAA COC(=O)c1cn(-c2cccc([C@@H](O)c3ccc(OC)cc3)c2)cc2c(=O)[nH]nc1-2 253412194 QEJONZHAJCAYKK-FQEVSTJZSA-N 405.410 2.542 0 50 HFAA C[C@@H]1Oc2ccccc2N(CCC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)C1=O 253417320 HNTKIUBYPKZRGG-QAETUUGQSA-N 414.502 2.912 0 50 HFAA Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328608170 YJUYOOAENIAQSZ-IBGZPJMESA-N 405.502 2.580 0 50 HFAA COc1ccc(-c2nc(NC(=O)CC3(n4cccc4)CCOCC3)n[nH]2)c(OC)c1 409414453 RCGGNYNBTXLTCK-UHFFFAOYSA-N 411.462 2.825 0 50 HFAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)c1ccc2c(=O)n3c(nc2c1)CCCCC3 683310066 PQYDILNTZCCQKZ-XMMPIXPASA-N 417.465 2.779 0 50 HFAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@]2(CCCc3ccccc32)C1 753311560 FIENICUUSYUYIY-IFMALSPDSA-N 411.527 2.613 0 50 HFAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@]2(CCCc3ccccc32)C1 753311562 FIENICUUSYUYIY-RBBKRZOGSA-N 411.527 2.613 0 50 HFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NC[C@@]1(c2ccccc2)CC1(C)C 824742854 DSAXBSFFHCKPHE-OAQYLSRUSA-N 403.500 2.969 0 50 HFAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952893509 MZTBOZDKXPNZMB-JXFKEZNVSA-N 403.498 2.875 0 50 HFAA Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Cn3cncn3)[nH]c2-c2ccccn2)cc1 952975129 MAXMNIOHGSIYSK-INIZCTEOSA-N 401.474 2.991 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCC(=O)N3CCCCCC3)C1)CC2 1704298879 FEHDCALTLGFCND-HSZRJFAPSA-N 413.566 2.532 0 50 HFAA COc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC)C2)cc1Oc1cc(F)cc(CN)c1 1857699758 XOCLBVMDJPNKAS-FZNQNYSPSA-N 402.422 2.767 0 50 HFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356139266 VIOCTCDUMZBSJF-HSZRJFAPSA-N 416.485 2.664 0 50 HFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1cc(OC)c(O)c(OC)c1 628620 CFERJKZQRNDJMA-BQYQJAHWSA-N 403.431 2.536 0 50 HFAA COc1ccc(OC)c(N2C(=S)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 1128436 BKQBTEWJKJIGSS-ROUUACIJSA-N 418.540 2.789 0 50 HFAA Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 2869409 HBVATUFHLZKLAQ-UHFFFAOYSA-N 404.532 2.933 0 50 HFAA COCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 4995620 NRWCEEGSIMUCCI-UHFFFAOYSA-N 410.923 2.996 0 50 HFAA COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)ccc2c1 11874158 TUDWIXMBIOLKON-SFHVURJKSA-N 407.470 2.878 0 50 HFAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 11952078 UDVYVLLJICYSCG-HSZRJFAPSA-N 423.557 2.552 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(c4cc(OC)ncn4)C3)C2=O)c1 12297862 KIBRFINZFROLNY-OAQYLSRUSA-N 400.454 2.652 0 50 HFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSc2ncccn2)C1 12459711 SQVQCNIOUJAYRN-SFHVURJKSA-N 414.575 2.990 0 50 HFAA COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C4CC4)n[nH]3)C2)cc1 15068379 RRFMXTHLQSRNNK-GCJKJVERSA-N 422.529 2.992 0 50 HFAA c1cc2c(cc1N[C@@H]1CCCN(Cc3cnc(N4CCOCC4)s3)C1)OCCO2 55196166 LAHRNWGYBKBHFZ-QGZVFWFLSA-N 416.547 2.827 0 50 HFAA O=C(CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)NC1CC1 77505790 BZHOEIDVLGMEBL-UHFFFAOYSA-N 410.518 2.727 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 169772827 SLJSAKJFPPDITL-INIZCTEOSA-N 417.469 2.696 0 50 HFAA Nc1nc(CN2CCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)nc2ccccc12 170597774 DOUHJQKFGXMEIH-UHFFFAOYSA-N 415.856 2.668 0 50 HFAA C[C@H]1CN(Cc2csc(NC(=O)Cn3ccc4ccccc4c3=O)n2)C[C@@H](C)O1 225730337 REHSUMMKYNKOOF-GASCZTMLSA-N 412.515 2.706 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 263588394 SXTNFRKHWYCBKM-SFHVURJKSA-N 405.458 2.818 0 50 HFAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 498745090 FZXGEGOEHVQNIF-GSEOLPGOSA-N 409.530 2.604 0 50 HFAA CC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)Oc2ccccc21 729459832 AVOUXBANGFXQMK-QFIPXVFZSA-N 407.514 2.924 0 50 HFAA O=C(N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1)C12CCCN1CCC2 952891915 CTGNLSWNKFASEX-GOSISDBHSA-N 421.423 2.792 0 50 HFAA Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)CC2=O)cc1 1230451214 LPTKAULJWAVSBF-LJQANCHMSA-N 424.476 2.688 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2c(F)cccc2F)C1 1857705123 UACFNJHXKLJNNU-IEGUWTFLSA-N 421.532 2.794 0 50 HFAA C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(-n2ccc(C(N)=O)n2)c1 1875262765 IQRKXMFEVIBFSE-YJYMSZOUSA-N 411.437 2.744 0 50 HFAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCOC2 1875383402 SFPMGETZCCVDNC-KNQAVFIVSA-N 422.529 2.569 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2Cc2ccccc2)cc1OC 2100556159 GGNUMMFQPLWURO-RTWAWAEBSA-N 408.458 2.581 0 50 HFAA C[C@@H](OC(=O)c1cnc2c(c1)CCC(=O)N2)c1nc2cc(Br)cnc2[nH]1 2325824196 SYAZWZRYTKWZCX-MRVPVSSYSA-N 416.235 2.918 0 50 HFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H](C)C3)c(C)c2oc1=O 1111632 DUXHLOHOSJTXSW-CYBMUJFWSA-N 401.459 2.763 0 50 HFAA COCCNC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1 3002578 RQRMOJOWJNHLBL-UHFFFAOYSA-N 424.379 2.809 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccccc1Cl 4807930 QJVJZJVYLMIOOF-IUYQLWOBSA-N 414.870 2.655 0 50 HFAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 6704250 GJLQQCHGHOMFCW-UHFFFAOYSA-N 400.928 2.762 0 50 HFAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 11873090 OQXOSKXFAULKMF-SFHVURJKSA-N 401.551 2.960 0 50 HFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2ccccn2)c1=O 12244609 JIFKURQWRHFGIP-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA CC(=O)c1cccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 20539995 ZUAYFHKYNQYLRI-DNQXCXABSA-N 411.521 2.786 0 50 HFAA CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCOCC1 65364176 QGQJLUSPEGVMFN-UHFFFAOYSA-N 406.529 2.706 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 67604176 HMKAWZQKOVTBNA-UHFFFAOYSA-N 412.881 2.595 0 50 HFAA O=C(O)c1cc(-n2nnc3ccccc32)cc(S(=O)(=O)N2CCCCCC2)c1 71754717 RGKNWFNMKZBHBK-UHFFFAOYSA-N 400.460 2.683 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)cc1 77376533 OGMVACLZIAPSLE-SRYPRDQNSA-N 407.470 2.743 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2csc(C)n2)[C@@H]3C1=O 77470403 CJYXLLAPOMRECR-OOSNJVJTSA-N 403.548 2.628 0 50 HFAA CCC(CC)C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82138563 LCMSMMVZIJYGGT-IBGZPJMESA-N 400.567 2.837 0 50 HFAA CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 225502263 SZTYCKIZXSWPGG-OPAMFIHVSA-N 407.555 2.741 0 50 HFAA CO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)CSC)C1)c1ccccc1 299782497 WZYKPUISWRJYPA-NRFANRHFSA-N 413.543 2.642 0 50 HFAA O=C1N[C@H](CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)Nc2ccccc21 334161153 VDMQJUIFJDMFTL-LJQANCHMSA-N 422.872 2.847 0 50 HFAA CCOc1ccc(N2C[C@H](C(=O)NCC3(N(C)C)Cc4ccccc4C3)CC2=O)cc1 741600939 JJWOEMQHBDZRSJ-HXUWFJFHSA-N 421.541 2.654 0 50 HFAA CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)cc1 790019155 RIAUFVZCNNRNBV-HXUWFJFHSA-N 418.515 2.563 0 50 HFAA C=CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)ccc1F 797033072 SUAOPGQDZCYSFC-PXAZEXFGSA-N 407.442 2.913 0 50 HFAA CC(C)(C)OC(=O)N1CC(OCC(=O)NC(C)(C)c2cc(C(F)(F)F)on2)C1 817041044 JABZBWXOYRUEPO-UHFFFAOYSA-N 407.389 2.681 0 50 HFAA CN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)c1ccc2c(c1)OCCCO2 952966585 XHDPLQPQFCSWJK-UHFFFAOYSA-N 401.444 2.719 0 50 HFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857709359 SODFJDMCONNOTH-GOSISDBHSA-N 407.396 2.922 0 50 HFAA CC(C)c1noc(C2CCN(C[C@]3(O)CCCN(c4ccncc4F)C3)CC2)n1 1857718415 IKEMIOMIOSOOIO-OAQYLSRUSA-N 403.502 2.938 0 50 HFAA Cc1ccc(-n2ccnc2SCC(=O)NCc2ccc(-n3cncn3)nc2)c(C)c1 1875253298 QXOVXFMIWCUUTJ-UHFFFAOYSA-N 419.514 2.873 0 50 HFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2cccc3[nH]ccc23)CC1 2100482666 PUBFNPQAYILXEN-UHFFFAOYSA-N 419.529 2.980 0 50 HFAA COc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c(Cl)c1 2325853038 BBDIVXCNMVIMBS-UHFFFAOYSA-N 413.883 2.594 0 50 HFAA Cn1cc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)cn1 2356134136 AATJFSWDOOBOML-WAGURGNTSA-N 414.575 2.526 0 50 HFAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@H]3C(=O)N3CCOCC3)ncnc21 2356149155 MYYQTJDUZHLUPF-SFHVURJKSA-N 414.554 2.653 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cc(C)[nH]n4)C3)[C@@H]3CCCC(=O)N23)c1 2356157814 SCJGEBCFPBYKQY-KSCDAYEDSA-N 422.529 2.811 0 50 HFAA Nc1nc(CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccccc3)CCCCC2)n[nH]1 970330 PCEUIFHEDSYPCH-UHFFFAOYSA-N 422.489 2.893 0 50 HFAA C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 2881272 BPSSLEBWIPXFPP-MRXNPFEDSA-N 421.950 2.843 0 50 HFAA COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 3017628 PXNZFDWTFZITSP-UHFFFAOYSA-N 407.879 2.947 0 50 HFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccccc1)NC(=O)c1ccco1 4976742 YCIJGUHRLATMSH-YWXUCKCNSA-N 404.422 2.863 0 50 HFAA CN(Cc1nccn1C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12433465 OSOJLZKBZCNDJV-OAHLLOKOSA-N 408.424 2.836 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccno2)n1CCCc1ccccc1 19854135 ZCKVMXIIOCLHKW-UHFFFAOYSA-N 402.520 2.930 0 50 HFAA CCCOc1ccc(-c2nc3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 26503097 HMWSCKJHNVIMJT-QGOAFFKASA-N 421.478 2.941 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1cccc(Cl)c1 32565224 XJZRWAPSQKVOTG-SFTDATJTSA-N 419.928 2.974 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 36056660 BLUSYAKAHOJHAT-WOSRLPQWSA-N 414.361 2.581 0 50 HFAA Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3ccc(C)c(C)c3)nn2)nc1 82230278 IAALKLHVIQCPOH-UHFFFAOYSA-N 412.519 2.931 0 50 HFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)NCCC1=CCCCC1 169752442 YEHRSQHYODCFTC-UHFFFAOYSA-N 424.476 2.801 0 50 HFAA COc1ccccc1CC(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12 169776284 CROQBSUCOXHYMZ-UHFFFAOYSA-N 404.430 2.524 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 170603533 MNKQRHUWFBDNEP-UGTRGGQESA-N 411.506 2.531 0 50 HFAA CCCn1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 170613243 YYZRQNOBXLEUCT-UHFFFAOYSA-N 410.439 2.670 0 50 HFAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)CCC2 241588458 PDIUNMRYBSRMKF-GDIGMMSISA-N 412.486 2.611 0 50 HFAA Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c(C)o1 299772275 USOUGUUWNMCKNR-HSZRJFAPSA-N 409.486 2.960 0 50 HFAA Cc1noc(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)c1-c1ccccc1 1506398147 LYCRIYUUHROTRK-IBGZPJMESA-N 404.470 2.979 0 50 HFAA Cc1c(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cnc2ccnn12 1857735026 DEZUKHRFAYVESM-UNMCSNQZSA-N 405.502 2.716 0 50 HFAA Cc1ccc([C@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CCO2)o1 1875253269 VUXBNQLQOUOKPB-YLJYHZDGSA-N 418.515 2.589 0 50 HFAA Cn1cccc(C(=O)N2CCN([C@@H](COc3ccccc3)c3ccccc3)CC2)c1=O 2100482799 ZUNFFCXAOVQLOO-QHCPKHFHSA-N 417.509 2.963 0 50 HFAA Cc1cccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C(=O)O)c1 2325851918 MTPKZCLQAOMQIT-FXAWDEMLSA-N 420.469 2.666 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccccc2-n2cnnc2)CC1 2356144743 KPNGNWJASDIIGW-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cnc(-c4ccncc4)nc3)C1)CC2 2356146331 BGXZBGXTWXIWDT-QHCPKHFHSA-N 415.501 2.515 0 50 HFAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCC4)c(N)c23)CO1 12384535 HBLRSZGIJWXEGI-UHFFFAOYSA-N 416.547 2.802 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1 12594035 RJHZMVVTMMFTPF-IBGZPJMESA-N 420.550 3.000 0 50 HFAA COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)c1OC 12746623 CPPFWGBOXGWDRY-KRWDZBQOSA-N 410.470 2.799 0 50 HFAA CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 14994420 XGNCZXYNUBFPRS-MRXNPFEDSA-N 409.490 2.819 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCN1CCCO1 15075220 NUFGJAHGNDZUQZ-OAQYLSRUSA-N 403.567 2.826 0 50 HFAA COc1ccc(CNCCC2=CCCCC2)cc1OC[C@H](O)CN1CCN(C)CC1 20536218 LXXHBLPKFICASK-JOCHJYFZSA-N 417.594 2.662 0 50 HFAA Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 20995581 UIDYYTORDHLHTG-UHFFFAOYSA-N 417.535 2.685 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3ccccc3Cl)C[C@H]2C(=O)NCC)CC1 20996220 XESQWNIXUICKQX-NQIIRXRSSA-N 407.002 2.883 0 50 HFAA O=S(=O)(Nc1ncn(Cc2ccccn2)n1)c1c(Cl)cc(F)cc1Cl 225495196 OONRZAJGNUKINN-UHFFFAOYSA-N 402.238 2.968 0 50 HFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1 252666629 CBXNPJYXVSBJPG-YRPNKDGESA-N 411.546 2.544 0 50 HFAA CCOC(=O)c1ncn(C2CCN(C(=O)Nc3ccc(OCC)cc3)CC2)c1N 253425325 SLOSTXVSPSKTPP-UHFFFAOYSA-N 401.467 2.910 0 50 HFAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 263588658 WUSUPMGMHFVEEA-INIZCTEOSA-N 414.849 2.515 0 50 HFAA COc1ccc(OC)c(CN2CCC3(CC2)C[C@@H]3C(=O)NCCCn2ccnc2)c1 299786072 PBFRLLGTWBEBEV-HXUWFJFHSA-N 412.534 2.709 0 50 HFAA O=C(c1ccccc1-c1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1 952984024 SRWUJECWAHCBPO-UHFFFAOYSA-N 411.521 2.707 0 50 HFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@@H](OCc2ccccn2)C1 952985784 DZZJTNMCDJHTEC-QGZVFWFLSA-N 404.488 2.613 0 50 HFAA COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 1260975197 OWNKRWIIJFIRIF-OAHLLOKOSA-N 408.907 2.932 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)c(=O)n1C 1857667440 CMPVHOFYHAJLBA-QHCPKHFHSA-N 410.518 2.607 0 50 HFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@H]2CN(S(C)(=O)=O)CCO2)s1 1857685432 JAHHUZSAEBXRKV-OAHLLOKOSA-N 418.544 2.642 0 50 HFAA O=C(O)[C@H]1CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)Cc2ccccc21 1875302964 PLTQCAUYBBDALN-INIZCTEOSA-N 403.364 2.865 0 50 HFAA Cc1ccc(=NCCCNC(=O)C[C@@H](CN)c2ccc(Br)s2)[nH]c1 2325851300 VWYNQROZRLVNIY-ZDUSSCGKSA-N 411.369 2.687 0 50 HFAA CCNc1scnc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1-c1ccoc1 2325872932 SBXOAIHGBHDFJK-STQMWFEESA-N 413.459 2.562 0 50 HFAA C[C@@H](OCC1CC1)C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2occ3c2CCC3)CC1 2332238659 HDCSELNFHHJQKY-IZPCHGGPSA-N 422.547 2.812 0 50 HFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N[C@H]1CC[C@H](C(=O)O)CC1 2356159976 XVBHVCATRVMYFZ-QAQDUYKDSA-N 405.454 2.823 0 50 HFAA O=C(COn1c(=O)n(COC(=O)c2ccccc2)c2ccccc21)c1ccccc1 660912 CNCVUAPMMWMMFC-UHFFFAOYSA-N 402.406 2.929 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 815589 XSWKDXTXUYRIEB-CRAIPNDOSA-N 404.488 2.550 0 50 HFAA Cc1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 1099355 KAMWDJDAXAGSSU-UHFFFAOYSA-N 411.321 2.840 0 50 HFAA COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 3112822 QDBNSZTVIBHSOV-UHFFFAOYSA-N 418.515 2.958 0 50 HFAA O=C(COc1ccc(I)cc1)Nc1ccc(O)cc1C(=O)O 8417714 WAJJDANYZUPTLP-UHFFFAOYSA-N 413.167 2.713 0 50 HFAA O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1 11873865 YNZYUCLGFPKHEN-UHFFFAOYSA-N 420.557 2.757 0 50 HFAA CCN(CC)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 11911495 GEDOADJDEZWPQS-UHFFFAOYSA-N 420.513 2.963 0 50 HFAA COCCn1c(CN(C)CC[C@@H]2CCCCO2)cnc1S(=O)(=O)CC(C)(C)C 12197714 QHUKOOVZUICJIK-SFHVURJKSA-N 415.600 2.740 0 50 HFAA CN(CC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 12431099 VSVVDHMAPCAWJT-KRWDZBQOSA-N 407.440 2.712 0 50 HFAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20029125 MFTIKCLEZCVXSV-HXUWFJFHSA-N 403.910 2.860 0 50 HFAA Cc1cc(C)n(CCN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1 23214912 UWYTVGWSCUFSDK-UHFFFAOYSA-N 400.552 2.967 0 50 HFAA NC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1 32073908 QZDYIQDBDYTFAK-UHFFFAOYSA-N 415.515 2.509 0 50 HFAA COC(=O)c1ccc(NC(=O)CCS[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 101160300 RECLLZNHVIBGBF-QGZVFWFLSA-N 412.467 2.867 0 50 HFAA C[C@H](C(=O)OCc1nc(-c2cccc(Cl)c2)no1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 249691103 KZFILQXEZGTBPA-KCPJHIHWSA-N 415.833 2.773 0 50 HFAA NC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1O 252501540 UHDRWYCWSHGTIG-INIZCTEOSA-N 422.428 2.940 0 50 HFAA CSCC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C 252549109 QVGDVRMEYYURTJ-MRXNPFEDSA-N 413.551 2.830 0 50 HFAA CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)cc1 790019154 RIAUFVZCNNRNBV-FQEVSTJZSA-N 418.515 2.563 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2)n1 825148992 XGHBOOYIKFBATO-CTNGQTDRSA-N 402.498 2.969 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCN(c2ccccc2)C(=O)C1 1506401767 LSAHLWPTXNBMOF-UHFFFAOYSA-N 403.485 2.749 0 50 HFAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cc1F 1857739211 MUHHHCJYSODTPO-SFTDATJTSA-N 400.498 2.936 0 50 HFAA COCCn1cc(CN(C(=O)C[C@H]2CCCc3ccc(C(=O)O)cc32)C2CC2)nn1 1875354070 PZFHDCIQMNUYKX-MRXNPFEDSA-N 412.490 2.624 0 50 HFAA Cc1cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)no1 1116909 DPOVSHJDZRYYNO-UHFFFAOYSA-N 414.281 2.782 0 50 HFAA O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 2863583 XPZPEUDAGUKRRQ-OAHLLOKOSA-N 416.718 2.823 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)cc1C 4413940 SLUGIIPCLXAYLH-KRWDZBQOSA-N 417.531 2.506 0 50 HFAA O=C(CCc1ccccc1)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11841162 PZQDOYBMPJKHSD-OAQYLSRUSA-N 407.514 2.984 0 50 HFAA CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccc(F)c(F)c1 11882131 VOVWCYVXZCXFMR-APWZRJJASA-N 420.529 2.773 0 50 HFAA COc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)cc1F 12093192 CCLFZBFJHMCIJN-UHFFFAOYSA-N 405.514 2.676 0 50 HFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12304682 RIHNNCKKUHFSIK-IBGZPJMESA-N 417.513 2.911 0 50 HFAA COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)cc1 12579493 IIEGZWLNOYKYMG-HXUWFJFHSA-N 410.514 2.844 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)CC2)CN1CC1CCCCC1 12702516 CYNLPQUYEKKDSU-HXUWFJFHSA-N 403.567 2.666 0 50 HFAA NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 13628257 IDTNNRVXVUPSGV-ZBFHGGJFSA-N 421.423 2.881 0 50 HFAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)NC4CCCCC4)CC3)c2c1 20213091 WDNAQDCSYFRROQ-UHFFFAOYSA-N 411.546 2.922 0 50 HFAA CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65365885 WQPRDKNZUZSCFC-GOSISDBHSA-N 418.501 2.844 0 50 HFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nn2)n1 67613408 APCXEEXCSLNNGJ-UHFFFAOYSA-N 406.465 2.954 0 50 HFAA CN(CCCN1CC2(CCN(C(=O)c3cccnn3)CC2)OC1=O)C1CCCCC1 77378452 HKEDFVXQJMPNCU-UHFFFAOYSA-N 415.538 2.558 0 50 HFAA CC(C)c1nc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)no1 82108738 PVNNCNLKOCZSJN-QGZVFWFLSA-N 412.538 2.585 0 50 HFAA CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 95531864 OHYQEXRZIBLYKP-FQEVSTJZSA-N 408.502 2.715 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780315 UQRVDFKOLZPWRP-AWEZNQCLSA-N 408.462 2.837 0 50 HFAA C[C@@H]1Oc2c(cccc2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)NC1=O 225600678 HPMDLCBNLCTAML-FBJOKTGGSA-N 400.475 2.990 0 50 HFAA CCc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)NCc3cccs3)C[C@@]2(CO)C1 1772816740 UAHIOUSXVXMYIB-VGOFRKELSA-N 413.543 2.587 0 50 HFAA CCCO[C@H]1C[C@@H](C(=O)NCc2c(C)noc2C)CC[C@@H]1NC(=O)c1ccc[nH]1 1857684178 BSZNMHWCFCHAKG-IEZWGBDMSA-N 402.495 2.630 0 50 HFAA Cc1ccc(F)c(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)NC4CC4)[C@@H]3CC(C)C)C2)c1 1857709236 MIBRUTDAUKIFNK-QRFRQXIXSA-N 415.509 2.500 0 50 HFAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc2n(n1)CCOC2 1875383403 SFPMGETZCCVDNC-SIKLNZKXSA-N 422.529 2.569 0 50 HFAA CN(CC(=O)N1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1)c1ncnc2[nH]cnc12 2325738793 ZHDNEVLYYAPJGV-INIZCTEOSA-N 420.452 2.682 0 50 HFAA CC1(C)C[C@H](CC(N)=O)N(c2ncnc3ccc(I)cc23)C1 2325854735 RWKMBQSLXPSOJY-NSHDSACASA-N 410.259 2.715 0 50 HFAA CO[C@H](C)c1n[nH]c(=Nc2cnc(SC)n(CCc3ccccc3)c2=O)s1 2356140024 QJXXTGCQZUPZHY-GFCCVEGCSA-N 403.533 2.932 0 50 HFAA O=S(=O)(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1 670888 PVOOKXDRNPGLIJ-UHFFFAOYSA-N 416.524 2.644 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 802514 BBJIKWAGMQZUDI-UHFFFAOYSA-N 404.488 2.642 0 50 HFAA COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 943835 KWQLPHONKKWVPD-LLVKDONJSA-N 412.467 2.894 0 50 HFAA Cc1ccc(CN(c2ccc(C(=O)NC[C@H]3CCCO3)cc2)S(C)(=O)=O)cc1 1112404 CTTBJYOIVVBZAE-HXUWFJFHSA-N 402.516 2.870 0 50 HFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1 2840816 ANCGVAMEMUUVEB-UHFFFAOYSA-N 406.504 2.888 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccncc1 11822071 VBDPWMICINRXDB-HSZRJFAPSA-N 414.509 2.756 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCn4cccn4)C3)C2)c1 12297613 SHXCAUYHWQSQAH-QFIPXVFZSA-N 400.498 2.936 0 50 HFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 19418977 AKNNEGZIBPJZJG-ROUUACIJSA-N 413.426 2.882 0 50 HFAA endogenous,in-man COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc2c1OCO2 39399062 ZPLYXMYCHHHAMT-OAQYLSRUSA-N 412.530 2.925 0 50 HFAA O=C1C[C@H](C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CN1 67817012 LTCYJRDCANQNRO-ZDUSSCGKSA-N 409.467 2.526 0 50 HFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1ccccc1 136909737 CQKSZOVZCBXIJV-OKZBNKHCSA-N 412.287 2.985 0 50 HFAA Cc1ccc(S(=O)(=O)N2CC3(C2)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C3)cc1 169811060 DTWAGXJADWMMCI-UHFFFAOYSA-N 423.531 2.669 0 50 HFAA in-vitro Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239174106 PHFVBFGLQBLXIV-FEKRXMNSSA-N 407.466 2.553 0 50 HFAA COCOc1ccc(OC)cc1CNc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 253429004 MFEAYDVSHFYQAI-UHFFFAOYSA-N 423.535 2.606 0 50 HFAA CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)ncn1 479525740 KQQISIXFORVVKE-QGZVFWFLSA-N 420.521 2.719 0 50 HFAA Cc1noc(C[C@@H](NC(=O)Cc2ccnc(O)c2Br)c2ccccc2)n1 486096476 ZNYGGNVIMOVOOC-CQSZACIVSA-N 417.263 2.884 0 50 HFAA Cc1cc(C)c(N2C[C@H](C(=O)N3CCOCC4(CCOCC4)C3)CC2=O)c(C)c1 784749471 XCVZUVWYBGGXMZ-LJQANCHMSA-N 400.519 2.620 0 50 HFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 952974068 PVDPEPHAMUQOMV-MRXNPFEDSA-N 407.470 2.927 0 50 HFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CN2CCOc3ccccc3C2)n1 952979017 CYVFVLYACUSJMT-AWEZNQCLSA-N 410.440 2.857 0 50 HFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N[C@@H](COc1ccccc1)c1ccccc1 1875256502 AQCQQQWDSAPOHC-FQEVSTJZSA-N 417.469 2.595 0 50 HFAA O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@@H](C(F)(F)F)C1 953374 UZPCPGDQVBNEHJ-CYBMUJFWSA-N 410.483 2.950 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCCC1 999313 WXJDSVBXJQZZBD-UHFFFAOYSA-N 405.454 2.984 0 50 HFAA COc1cc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc(OC)c1OC 1071902 VFRPPAGTDQFUGO-UHFFFAOYSA-N 402.432 2.888 0 50 HFAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4580215 XNDMBFKCZXWNFI-UHFFFAOYSA-N 418.559 2.654 0 50 HFAA CCn1ncc(C2=NO[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c1C 6802807 HTOUFTYODKCFSN-LJQANCHMSA-N 401.898 2.707 0 50 HFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@@H]2CCCN(c3ncccn3)C2)c1 12034770 LYJHYXDAAIDCAT-RTWAWAEBSA-N 423.561 2.873 0 50 HFAA Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1cc(C)n(C)n1)C2 12152450 ZAXFJNCZUADUAD-UHFFFAOYSA-N 423.542 2.551 0 50 HFAA CSCCC(=O)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 14531098 IEAVVOGLIZCKMV-HXUWFJFHSA-N 413.543 2.591 0 50 HFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CC(=O)N(c2ccccc2C)[C@@H](C)C1 14878905 SZFAIVXBJFWPFM-MAUKXSAKSA-N 407.470 2.693 0 50 HFAA COc1cc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)cc(OC)c1 55060582 JAUDVFAZECKTPP-HSZRJFAPSA-N 400.519 2.868 0 50 HFAA C/C(=C\c1ccco1)CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1 64002308 JWZRJFNAAONEHC-HJUDDPQBSA-N 406.490 2.719 0 50 HFAA NC(=O)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CCO1 72432685 YLSOSBQVKOAZPF-CQSZACIVSA-N 419.363 2.508 0 50 HFAA Cc1ccc(OCC(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 263617239 MVVJPPOAXCALIO-UHFFFAOYSA-N 405.502 2.644 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 328596351 IISMGOQQHKPGKI-WWNBULGVSA-N 406.548 2.544 0 50 HFAA CC(C)n1c(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)nc2ccccc21 334161809 JBQSNDNNBFKPNA-OXFYSEKESA-N 415.563 2.959 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)csc2C1 426428394 SUVRPZHLTUCGRJ-IYBDPMFKSA-N 400.548 2.545 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@@H](c3cccnc3)N3CCOCC3)cc2)CC1 823764790 GGVQEEDALCSBHJ-JOCHJYFZSA-N 410.518 2.567 0 50 HFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1253463245 XEXCZGQOKFWMDV-INIZCTEOSA-N 423.439 2.885 0 50 HFAA C[C@H](C(=O)NC1CCN(C2CCSCC2)CC1)c1nnc(O)c2ccccc12 1506417004 JGONINMNLMOCSA-AWEZNQCLSA-N 400.548 2.915 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cccc(OC(F)F)c2)cc1OC 1529114611 QWMVBLGYNIAPTH-RTBURBONSA-N 423.412 2.880 0 50 HFAA COc1ccc(Cl)cc1-n1nc(CC(N)=O)nc1-c1cc(C)nn1C(C)(C)C 1857667041 KSDAOOYFCPPNAB-UHFFFAOYSA-N 402.886 2.884 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3C)CC(=O)N2[C@H]1c1ccccc1 1857711913 IGSCRINJZZILTN-CUWPLCDZSA-N 410.445 2.721 0 50 HFAA Cc1c(Cl)ccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1Cl 1857738513 LHBIYBGVUJLJRB-VNHYZAJKSA-N 405.347 2.832 0 50 HFAA COc1cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)ccc1C 2356147934 ZFGACSPVXUMHRB-YDHSSHFGSA-N 400.519 2.904 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@H](O)C3)cn12 2356149291 SXBAHUJMUDNILP-AZUAARDMSA-N 401.470 2.725 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 1463536 SRSGGEUKDCOFHK-MRXNPFEDSA-N 423.535 2.668 0 50 HFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 4810665 WQMPAWQWQFMKAP-CQSZACIVSA-N 419.528 2.811 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)CC1 11842718 XHJMSOITCUOHIU-UHFFFAOYSA-N 422.525 2.990 0 50 HFAA O=C(COc1ccc(Br)cc1)Nc1cccc(C(=O)N2CCOCC2)c1 12138792 KMWSXDZGRDWFCU-UHFFFAOYSA-N 419.275 2.939 0 50 HFAA COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1 14887259 SIUINDDBPKQYEM-PMACEKPBSA-N 418.534 2.513 0 50 HFAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N[C@@H](C)CO)nc2c1=O 72409480 BRHLOOPOYPGFPG-AWEZNQCLSA-N 414.893 2.893 0 50 HFAA O=C(c1ccc(F)cc1F)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95507083 WOHYIGJAZOUUDL-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ncccn2)CC1 169681399 PTKZVOVYTQPIKW-QGZVFWFLSA-N 409.534 2.926 0 50 HFAA COc1cccc2c1ccn2CCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772805 WGQNEVNOOMNBJB-OAHLLOKOSA-N 417.469 2.696 0 50 HFAA O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1nnnn1-c1ccccc1 239672484 BTGRFLBPRMLHKH-GPHNJDIKSA-N 403.486 2.910 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NCc4cc(O)ncn4)csc3C2)nc1 426383123 KHTYRNPESVYHQQ-UHFFFAOYSA-N 409.515 2.689 0 50 HFAA COC(=O)Nc1cc(NC(=O)C(=O)NCCCCN2CCC[C@@H](C)C2)ccc1F 727609407 BAQWXNNQODKIGC-CQSZACIVSA-N 408.474 2.571 0 50 HFAA COC[C@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccc(OC)cc3)n2)CC1 952895343 ZYTHJVALYGAYQN-FXAWDEMLSA-N 415.534 2.744 0 50 HFAA COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)Cc1cccc2ccccc12 1293297755 UEUNBUXRFXOIGT-VXSCBNMQSA-N 422.525 2.983 0 50 HFAA O=C1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@H](Cc2ccccc2)N1 1772702821 DZEFCTLIBUDSQM-QHCPKHFHSA-N 405.542 2.858 0 50 HFAA Cc1c(C(=O)N2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)cnn1-c1ccccn1 1772707687 TXAHTSJOSDJTEM-HYBUGGRVSA-N 401.514 2.870 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3cccc(-c4ccc(C)o4)c3)C[C@@]2(CO)C1 1772805709 REYJYYWYOQHMPA-KNQAVFIVSA-N 400.544 2.871 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)Nc4cccc(F)c4)C[C@@]3(CO)C2)c(C)o1 1772813078 VBSALFJLIYDSCB-YCRPNKLZSA-N 401.438 2.634 0 50 HFAA COCc1noc(CN2CC[C@@]3(C2)CN(Cc2csc4ccccc24)CCO3)n1 1857699085 HEIOHJHWGLILEI-OAQYLSRUSA-N 414.531 2.908 0 50 HFAA COc1ccc(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1OC 1857734935 ZJPWKPKXNFNLSV-SXWKCWPCSA-N 410.514 2.967 0 50 HFAA CNC(=O)CN(CCc1sccc1C)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1875303679 IDNUCUHEJLSUTI-UHFFFAOYSA-N 413.543 2.741 0 50 HFAA Ic1cc2c(NC[C@@H]3CN4CCC[C@H]4CO3)ncnc2s1 1875341325 OXIPFLFOUUUEIA-VHSXEESVSA-N 416.288 2.571 0 50 HFAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1 666518 OZGHGJFSSWPCNA-UHFFFAOYSA-N 406.364 2.896 0 50 HFAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc(Oc2ccccc2)cc1 778599 HCYRMJRZCYMNPG-UHFFFAOYSA-N 411.483 2.956 0 50 HFAA COc1ccccc1N(C[C@@H](O)CN1CCCCC1)S(=O)(=O)c1ccccc1 864231 OFHDPDLDFGBLEM-SFHVURJKSA-N 404.532 2.737 0 50 HFAA O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1 1838973 OJXJQWINNOWNEC-UHFFFAOYSA-N 400.612 2.851 0 50 HFAA CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 4823224 OYJMKMMFFBCWMK-UHFFFAOYSA-N 416.330 2.923 0 50 HFAA Cc1ccc(C)c(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)c1 6787963 GSHAAIFUFCLZNQ-SFHVURJKSA-N 414.359 2.957 0 50 HFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 11784686 UPDMWDNAPQRAFT-CRAIPNDOSA-N 414.893 2.882 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCC(OC)CC2)n1CCCc1ccccc1 11935685 NVSPYFHSGHKZKL-UHFFFAOYSA-N 405.564 2.920 0 50 HFAA Cc1c(CN2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)cnn1C 14749065 ISVBRCLUGMCZLX-FQEVSTJZSA-N 402.514 2.753 0 50 HFAA COCCn1c(CN(C)Cc2cc(C)no2)cnc1S(=O)(=O)C1CCCCCC1 15068908 IFDKREGCPOIDQW-UHFFFAOYSA-N 424.567 2.954 0 50 HFAA COc1ccc2nc(NC(=O)Cn3nc(N4CCC(C)CC4)ccc3=O)sc2c1 61717739 FKRYSKMAPRWFSE-UHFFFAOYSA-N 413.503 2.737 0 50 HFAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C)C(=O)O)cc1 65364291 OTTSLIVXLRPURC-XCLFUZPHSA-N 414.458 2.843 0 50 HFAA biogenic COc1ccc(NC(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1Cl 65365622 UDPCXHNFFQDFQQ-UHFFFAOYSA-N 413.869 2.678 0 50 HFAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2csc(C)n2)[C@H]3C1=O 77470404 CJYXLLAPOMRECR-NTLWEQJWSA-N 403.548 2.628 0 50 HFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)COc4ccccc4)CC3)nn2)nc1 82230223 GYGAUCGIZWKCHN-UHFFFAOYSA-N 404.474 2.651 0 50 HFAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccsc4)ccn3n2)cc1 169775887 KVNSNKJCJSXQHO-UHFFFAOYSA-N 422.510 2.982 0 50 HFAA C[C@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)NC(=O)NCc1ccccc1 222026842 ZEHBYIDIRYBJJF-AMLAXIGRSA-N 414.502 2.666 0 50 HFAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCC2 225764454 BPFSYJSIHHQYFS-OMNBBPDLSA-N 418.515 2.726 0 50 HFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H]1CCSc3ccc(F)cc31)C2=O 239338727 LBZFHIWXORSSSY-RAJNIJHNSA-N 405.495 2.980 0 50 HFAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253396956 BIHDBHLTHCBYIS-ZDUSSCGKSA-N 400.383 2.916 0 50 HFAA biogenic CN(Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1 299783246 ZBMRINVWWRJMTM-QHCPKHFHSA-N 418.545 2.655 0 50 HFAA CC[C@@H](c1ccccc1)c1nn2c([C@@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726902 PMDKNYLKQMYYNT-CABCVRRESA-N 405.549 2.867 0 50 HFAA COc1cccc(CN2CCCN(C(=O)c3ccco3)CC2)c1OCCn1ccnc1 952978025 WYSTYDMOJCHXGL-UHFFFAOYSA-N 424.501 2.912 0 50 HFAA CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccncc2)s1 1321183228 BTTBMJDAJRJDBU-QGZVFWFLSA-N 407.561 2.608 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3C[C@@H](O)[C@H](Cc4ccccn4)C3)n2)c1 1529153636 SPFNMDANQCAYCY-YLJYHZDGSA-N 422.485 2.525 0 50 HFAA COc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cn3ccccc3=O)c2)C1=O 1875253158 CXEKNFBUNUGWPX-GOSISDBHSA-N 403.438 2.649 0 50 HFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCc1nc(-c2ccco2)n[nH]1 1875257249 YJEKMIRLFKNSRS-UHFFFAOYSA-N 413.825 2.810 0 50 HFAA O=C(O)[C@@H]1CCCCCCN1C(=O)c1cc(-c2cn(-c3ccncc3)nn2)ccn1 1875354451 WFUROTJOGBAQQR-IBGZPJMESA-N 406.446 2.584 0 50 HFAA NC(=O)c1cnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c2ccsc12 1875360754 LBEMJQMZXUDLFQ-UHFFFAOYSA-N 408.409 2.531 0 50 HFAA O=S(=O)(NCc1cccc(-c2nc(Cc3ccno3)no2)c1)c1ccc(F)cc1 2325850022 JMXMBYXPJIYPKL-UHFFFAOYSA-N 414.418 2.933 0 50 HFAA O=C(c1cc(O)no1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356134148 AUNJKHHFYQPVIS-FZCLSBEQSA-N 413.449 2.604 0 50 HFAA COc1ccc(Cc2n[nH]c(SCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 4747544 JVSTWNKURSMSCF-UHFFFAOYSA-N 423.542 2.845 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@]1(CC(=O)O)CC(c2ccc(F)cc2)=NO1 4785004 HZVJFCNVKYGWON-HXUWFJFHSA-N 400.362 2.589 0 50 HFAA CCN(CC)CCOC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 6673257 UEEQDNUYZNAEEG-UHFFFAOYSA-N 403.523 2.820 0 50 HFAA Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)cc1 9667483 IHTXHUPBSXMPPC-OAQYLSRUSA-N 419.525 2.903 0 50 HFAA COC(=O)c1cc(C)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 19880958 NGQARLXPLLFARA-CYBMUJFWSA-N 405.453 2.966 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)c3ccsc3)C2)CC1 55212024 UYRLLCHXQKUJMY-KRWDZBQOSA-N 421.588 2.732 0 50 HFAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 55227604 IPQCJJCLFDQWDY-OAQYLSRUSA-N 409.486 2.965 0 50 HFAA CN1CCC[C@@H](CN(C)C(=O)c2cc(-c3cnn(CCO)c3)nc3ccccc23)C1 63872561 QXFVDOQFNMJBPP-QGZVFWFLSA-N 407.518 2.504 0 50 HFAA COCC1(C(=O)N2CCc3c(c(C(=O)O)nn3CCCc3ccccc3)C2)CCC1 67886520 XPWHJIQGRPOCSZ-UHFFFAOYSA-N 411.502 2.916 0 50 HFAA Nc1nc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)O)CC2)c2nc[nH]c2n1 82108363 STHZWGTTXOEGTA-UHFFFAOYSA-N 404.430 2.591 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)no1 82137456 UJWYIGXFPWSAPO-FQEVSTJZSA-N 411.550 2.713 0 50 HFAA CC(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 169758553 UKGGOOJGVRQEND-LJQANCHMSA-N 414.481 2.671 0 50 HFAA c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccco2)cc1 169816828 HAQIHGZYLGJHCZ-UHFFFAOYSA-N 417.096 2.657 0 50 HFAA NC(=O)[C@H]1CCCN(Cc2ccccc2NS(=O)(=O)c2cccc(Cl)c2)C1 170617460 JFFJQZHYEAHFMS-HNNXBMFYSA-N 407.923 2.838 0 50 HFAA CC1CCN(C(=O)C2CCN(C(=O)N3CC(=O)Nc4c(F)cccc43)CC2)CC1 225504123 HOFWZSQIVHJMPJ-UHFFFAOYSA-N 402.470 2.675 0 50 HFAA COc1ccc(Nc2nc(N(C)CC[C@H](C)O)cc(N(C)CC[C@@H](C)O)n2)cc1 225652438 AHNCQXXSSCFXKW-IYBDPMFKSA-N 403.527 2.643 0 50 HFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCS(=O)(=O)c1ccc(F)cc1)(C3)C2 1506423736 HRNIXWFXZZOJFC-CGRMTHRGSA-N 409.523 2.827 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(Cl)ccc2OC)cc1OC 1529109599 GIBZNQHEAVYKFW-WOJBJXKFSA-N 421.877 2.940 0 50 HFAA CC[C@@H](NC(=O)c1ccc(C(=O)N[C@H](CC)c2noc(C)n2)cc1)c1noc(C)n1 2325739478 OSSUNRGEMYJCCS-HZPDHXFCSA-N 412.450 2.832 0 50 HFAA O=C(NS(=O)(=O)CC[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819851 RWVJDXQRDADSLG-VBNZEHGJSA-N 416.337 2.815 0 50 HFAA COc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 3482290 ONDVZMROTQYTPP-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA CSCC[C@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)C(=O)O 4698229 XMJYYSWENYTAFV-DLEKYWELSA-N 404.513 2.842 0 50 HFAA CN(C)c1ccc(-c2cccc(-c3ccn(CC(=O)NCc4ccco4)n3)c2)nn1 19636402 YZRRPCJOVUAUIL-UHFFFAOYSA-N 402.458 2.983 0 50 HFAA COc1cccc(OC)c1C(=O)NC[C@@H](C)Oc1cccc(CN2CCOCC2)c1 19744722 KZCDNBPHJUEATB-QGZVFWFLSA-N 414.502 2.733 0 50 HFAA CCCN1CCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)CC1 23359112 VPMXTSKUJOOJOA-UHFFFAOYSA-N 412.578 2.601 0 50 HFAA O=C(NC[C@H]1CCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67758107 UVWROOWVRKROPF-KRWDZBQOSA-N 405.546 2.574 0 50 HFAA Cc1ccccc1[C@@]1(CC(=O)N2C[C@H]3CC[C@H]2C3)CC(=O)N(Cc2ccncc2)C1=O 104402626 SGJYWEPKBXQGJU-ZYLNGJIFSA-N 417.509 2.988 0 50 HFAA Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5ccc(C)s5)C4)no3)cc2c(=O)[nH]1 169768870 HFZKHSAXAQYOGC-CYBMUJFWSA-N 424.486 2.771 0 50 HFAA NC(=O)c1noc([C@H]2CCCN2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)n1 225681577 OTSAAJPVSYACKW-CQSZACIVSA-N 404.858 2.791 0 50 HFAA Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 229753314 FIHHTUWBDTVLIE-JLSDUUJJSA-N 400.527 2.966 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 952970548 LIJWNWSUQYDOJM-INIZCTEOSA-N 400.504 2.987 0 50 HFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CC(=O)N(c2nccs2)C1 1177334759 AASZFGJQJUMJBF-NSHDSACASA-N 403.895 2.775 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2sc(C)nc2C)C1 1857703847 SYPJJBTUIQVKTQ-XQBPLPMBSA-N 420.623 2.589 0 50 HFAA COc1c(C)cc(C)cc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857719214 HAPGYLMAYWUZAT-QYZOEREBSA-N 412.534 2.668 0 50 HFAA NC(=O)CNC(=O)c1cccc(NC(=O)[C@H](Oc2cccc(F)c2)c2ccccc2)c1 1875256408 UTWCSYHIJIQZQW-OAQYLSRUSA-N 421.428 2.800 0 50 HFAA C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1S(=O)(=O)c1ccccc1 2325872666 IQOSGEDSYISSBS-JMIAMXEYSA-N 414.483 2.504 0 50 HFAA CCc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1C)S(C)(=O)=O 980306 LSYKJHIQULEMEG-UHFFFAOYSA-N 404.488 2.749 0 50 HFAA CCOc1cc(C=O)cc(I)c1OCC(=O)N1CCCC1 1076461 FTHOJYPUFNIRSF-UHFFFAOYSA-N 403.216 2.504 0 50 HFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccnc1 1138645 WFIPELZWWUQVHW-UHFFFAOYSA-N 413.474 2.728 0 50 HFAA O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCCCC1 4820348 XDEVTGHEYHOWRQ-UHFFFAOYSA-N 414.535 2.556 0 50 HFAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2CO)c1 11998636 VNWZEMLRUYXYKS-GOSISDBHSA-N 417.550 2.726 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCc1ccc(Cl)cc1 12207169 YQBMRTVOPMSFRN-LJQANCHMSA-N 403.885 2.529 0 50 HFAA COc1ccc(CCNC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 12296431 PUNSSVBBDRNOKT-UHFFFAOYSA-N 406.486 2.603 0 50 HFAA biogenic O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C3Cc4ccccc4C3)CC2)CC1 12701884 FCQRCMUVXAWSBN-DEOSSOPVSA-N 411.590 2.625 0 50 HFAA Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(NCCN3CCOCC3)c12 15003112 GVHQKWBYTXIVIN-UHFFFAOYSA-N 415.519 2.609 0 50 HFAA COc1ccc(CN(Cc2nccn2C)C(C)C)cc1OC[C@@H](O)CN(C)C(C)C 15073383 VWSGTIBIQQWDPL-FQEVSTJZSA-N 418.582 2.919 0 50 HFAA Cc1sc2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)n2c1C 16650557 SMUBCLUPWWIDEX-UHFFFAOYSA-N 402.907 2.989 0 50 HFAA COc1cccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)c1 40309441 ITJLXOBNWPSSPC-UHFFFAOYSA-N 402.454 2.759 0 50 HFAA biogenic C[C@H](CN1CC2(CCN(C(=O)CCCn3cncn3)CC2)OC1=O)c1ccccc1 77440918 GMSVDEDSAJFKML-GOSISDBHSA-N 411.506 2.675 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21 245242204 JGNGGJRBZOPUSD-KCOOYEKVSA-N 419.456 2.819 0 50 HFAA C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(OC)c1 247999204 CKUABNQHXVSYGJ-WNBAKXSZSA-N 402.491 2.969 0 50 HFAA Cc1ccc([C@H](O)c2ccccn2)cc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 253424670 JFNQIACDFVWIJV-FQEVSTJZSA-N 423.498 2.863 0 50 HFAA CCOC(=O)Cc1csc(NC(=O)COc2cccc3c2ccn3CCOC)n1 263588546 VNWWTTXIJGNTTK-UHFFFAOYSA-N 417.487 2.867 0 50 HFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H](C(C)C)n1cnc2ccccc2c1=O 952869860 NPOVTAUDFANTDC-HXUWFJFHSA-N 418.457 2.822 0 50 HFAA CO[C@@H]1CC[C@@H]2NC[C@H](/C=C3\C(=O)N(CCCN(C)C)[C@@H]4CC[C@H](F)C[C@@H]34)[C@@H]2C1 1775953789 NGQQMXCGOOHLQB-JKLXNZMOSA-N 407.574 2.617 0 50 HFAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1857718067 MHZVPTVMBOLSRX-UHFFFAOYSA-N 406.408 2.663 0 50 HFAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCc2cc3c(cc2C1)OCCO3 1875255740 CTVUBOSSILNPJH-UHFFFAOYSA-N 404.470 2.792 0 50 HFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)OCc2cn(Cc3ccccc3)nn2)CC1=O 2325742976 FSDFPVAFTAVESX-YLJYHZDGSA-N 404.470 2.979 0 50 HFAA COC(=O)c1ccc(CN(C)C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 2325745896 WHMOESWIWDLJPQ-CTYIDZIISA-N 404.850 2.740 0 50 HFAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]21 2325823906 IGKNGFFANZEPQI-NXOUGTEYSA-N 402.859 2.791 0 50 HFAA COC[C@]1(C(=O)N[C@]2(C(=O)O)CCc3cc(Br)ccc3C2)C=CCC1 2325829524 LOHXYGCXBMBUGP-RBUKOAKNSA-N 408.292 2.860 0 50 HFAA Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCc1cc(=O)c(O)co1 2325870317 SJADZFFWJIOWMI-ZETCQYMHSA-N 424.173 2.509 0 50 HFAA COC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1 692602 DOJCGUWQTBKTRR-UHFFFAOYSA-N 410.426 2.885 0 50 HFAA Cn1ccc(CNC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)n1 2799793 OLGXHGFEIBDMSS-UHFFFAOYSA-N 424.686 2.999 0 50 HFAA Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 2859651 QEIGDBUCQZDZPE-CQSZACIVSA-N 401.536 2.765 0 50 HFAA Cc1c(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C 4143896 XIUVWBJVLGVTJB-RCDICMHDSA-N 420.494 2.758 0 50 HFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)cc1 6480570 UTIXQHWCDLOZAR-UHFFFAOYSA-N 407.444 2.524 0 50 HFAA C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 9133461 QKDHBVNJCZBTMR-LLVKDONJSA-N 417.387 2.904 0 50 HFAA in-man COc1ccccc1-n1cc(CN2CCC[C@@H](CNC(=O)c3cc(C)on3)C2)cn1 11933454 DTTZARNHKHROLI-KRWDZBQOSA-N 409.490 2.819 0 50 HFAA COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3OC)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427383 LGAGAQGJDZRIPH-BXWFABGCSA-N 424.375 2.808 0 50 HFAA CC1CCN(C(=O)CC[C@H]2CN(Cc3ccncc3)CC[C@H]2N2CCOCC2)CC1 14990266 SLZSZIHWJHWXSL-XZOQPEGZSA-N 414.594 2.643 0 50 HFAA Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 15075025 BLKXRGZWORLMSG-FQEVSTJZSA-N 413.493 2.823 0 50 HFAA CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccco2)C1 17092191 OECUZLPTXAWNBR-GFCCVEGCSA-N 420.487 2.826 0 50 HFAA CCCCn1c(CN(C)C[C@@H]2COCCO2)cnc1S(=O)(=O)C1CCCCC1 20920803 RHJAIOOJXQSWJB-GOSISDBHSA-N 413.584 2.637 0 50 HFAA O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1 35686410 RCPBWYWZPSANEL-UHFFFAOYSA-N 412.490 2.644 0 50 HFAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 101087370 LBUOPJWILCUZND-HUBLWGQQSA-N 401.326 2.520 0 50 HFAA COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Br)c3)C2=O)c1 225489017 RUJLLQYHRDVDCU-GOSISDBHSA-N 418.247 2.570 0 50 HFAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 228763843 VZNDQIRDQSINJJ-RTBURBONSA-N 417.937 2.550 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2cccc3c2ccn3C)N=C1O 252552591 UXDSGUJUTCAHIF-GOSISDBHSA-N 420.469 2.883 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)cc3OC)C2)c1 328600587 YWFUOYCPHFKTTI-LJQANCHMSA-N 420.487 2.832 0 50 HFAA Cc1cnccc1N1CCCN(S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)CC1 952970157 OEKLBSUUVPTRHD-UHFFFAOYSA-N 401.492 2.583 0 50 HFAA O=C(CCn1cnnc1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857705915 AIZNPYRBMBXKGX-OAQYLSRUSA-N 411.550 2.767 0 50 HFAA O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)C2 1875288348 XRAZTMFXJGWPMC-XJNFMUPTSA-N 416.485 2.710 0 50 HFAA CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc2c(c1)CNC(=O)CC2 1875337059 QWECVCQMQRPXAV-NRFANRHFSA-N 422.460 2.555 0 50 HFAA CN(C(=O)CN1C[C@H](C(F)(F)F)CCC1=O)c1ncc(Br)s1 2325825694 ZKBCZZIHRUMPGO-SSDOTTSWSA-N 400.220 2.669 0 50 HFAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCCS1 2325876309 QPBNSFSFLUXGAF-RMRDIRSESA-N 415.559 2.799 0 50 HFAA COCCN(Cc1nccs1)C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356165490 BJGOUARQZPTYFQ-UHFFFAOYSA-N 407.561 2.645 0 50 HFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 665682 PRRFHCWWWBTVRR-AWEZNQCLSA-N 421.494 2.759 0 50 HFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 818511 PUVYWALWSNLODQ-OAHLLOKOSA-N 419.478 2.824 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OCC)c(O)cc1Br 1125179 HJVBVWMRTOSRDT-AWEZNQCLSA-N 415.309 2.909 0 50 HFAA COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=C1/OC(=O)c2c1cc(C)[nH]c2=O 6668699 RONRPQYLPSRDFT-VGOFMYFVSA-N 410.382 2.637 0 50 HFAA CC(=O)c1cc(CC(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cs1 11815512 AOMULEOICGVRRR-SFHVURJKSA-N 406.548 2.807 0 50 HFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 12381055 FOOBNCHTFYYIIC-AUEGDVLESA-N 416.249 2.761 0 50 HFAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(Cc2ccc(CO)o2)CC1=O 14732359 JTWWGYKOTXUACC-FQEVSTJZSA-N 404.482 2.797 0 50 HFAA CN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)CN(Cc3ccc4ccccc4c3)C2)CC1 23353816 GKEPDVFWDGORRC-ZJSXRUAMSA-N 420.601 2.804 0 50 HFAA CC(=O)OC[C@H]1CC2=C(C[C@H](COC(C)=O)[C@H](COC(C)=O)C2)C[C@H]1COC(C)=O 43198984 UBGPJHUSWLGIBL-ZDNVTZCJSA-N 424.490 2.588 0 50 HFAA CC(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 48276257 VQGJKZJBDDDBGT-FQEVSTJZSA-N 403.486 2.552 0 50 HFAA CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4OC)N4CCCN4[C@H]3C2=O)cc1 135887569 MJQCQSXQHKKBKC-PWRODBHTSA-N 407.470 2.630 0 50 HFAA CCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254698789 BMCSJWJPXZFKRA-NRUNPTKOSA-N 413.084 2.614 0 50 HFAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCCN1CCOCC1)C3 299765797 BIEBINPARUJMFM-QGZVFWFLSA-N 418.607 2.673 0 50 HFAA COc1ccc(-n2nc(C(=O)N[C@@H](C)c3nc(N)n[nH]3)cc2-c2ccccc2)cc1 426511839 WJLUKQWSTHPICF-ZDUSSCGKSA-N 403.446 2.739 0 50 HFAA COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)cc1Cl 824555226 XPEXPLDOHSQAFT-NSHDSACASA-N 409.335 2.927 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1F 1857684999 MWCMLMKVKPRYPG-OAHLLOKOSA-N 404.467 2.860 0 50 HFAA CN(C)c1ncccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccncc2Cl)C1 1857685111 CHEZRXCWJUVOKS-ZIAGYGMSSA-N 401.898 2.667 0 50 HFAA O=C(c1c[nH]c(=O)cn1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857704661 ATMFAPCIGZHRCA-HXUWFJFHSA-N 424.545 2.872 0 50 HFAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c2cccc(C)c2n1 1857719989 YXMOIXUPMHSKQU-UNMCSNQZSA-N 407.518 2.729 0 50 HFAA CCN(Cc1nc(C(C)C)no1)C(=O)[C@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857723260 XJGAMIGJVMHKKK-LBPRGKRZSA-N 406.512 2.570 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(Cc3cccc(OC)c3F)CC(=O)N2[C@H]1c1ccccc1 1857736708 RQRLOEFKRYSZLZ-SPEDKVCISA-N 412.461 2.781 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 972233 NFHIPTOOUYNBKZ-UHFFFAOYSA-N 404.488 2.830 0 50 HFAA Cc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2N)cc1C 1124704 JOHREWOQYNKWQY-UHFFFAOYSA-N 409.515 2.869 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)NNC(=S)Nc2cccc(Cl)c2C)cc1 2855520 PUMFCMIKIBREAH-UHFFFAOYSA-N 412.924 2.787 0 50 HFAA COc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(C)(=O)=O 2976071 QGOOEIUMZIVAEX-UHFFFAOYSA-N 408.545 2.678 0 50 HFAA O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCN(c2nc3ccccc3s2)CC1 11844064 LBXBNSWOCPVMFU-KRWDZBQOSA-N 406.511 2.998 0 50 HFAA CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)Cn2ccc(C)n2)C3)n1 12048961 JFLNIOYAECCJDV-HNNXBMFYSA-N 413.478 2.629 0 50 HFAA COc1ccc(OCC(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1 12300534 HBUMZHOCZMOHDV-MRXNPFEDSA-N 400.450 2.882 0 50 HFAA COC[C@@H](O)CNC(=O)c1ccc(OC2CCN(CC(C)(C)C)CC2)c(Cl)c1 12431504 OTEYRFPXVUYLJB-INIZCTEOSA-N 412.958 2.966 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2nc(-c3ccccc3)no2)CCC1=O 12432572 QJRXTYWXYLWHNY-SFHVURJKSA-N 420.469 2.800 0 50 HFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)n1 13009132 TZSGCYZZNJZVCM-UHFFFAOYSA-N 410.909 2.824 0 50 HFAA C[C@H](Cc1ccccn1)NC(=O)COc1ccc(N(C)Cc2ccc(F)cc2)nn1 14998107 HOIALOJRHGQRMV-MRXNPFEDSA-N 409.465 2.773 0 50 HFAA Cn1cnnc1Sc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)o1 20535291 DLTANKVOIZPZMM-HNNXBMFYSA-N 419.576 2.690 0 50 HFAA CN1CCC(N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 82134507 DBVDSWFFNGOBHA-JOCHJYFZSA-N 412.622 2.616 0 50 HFAA Cc1ccn(-c2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)ncn2)n1 82230528 ZMALDAIQOLQPNW-UHFFFAOYSA-N 416.407 2.952 0 50 HFAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 100081944 KDOOIIJQDDHACY-KBPBESRZSA-N 423.903 2.966 0 50 HFAA C[C@@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)CCN1C(=O)OC(C)(C)C 170602349 WVEJBDNPFNWADE-OAHLLOKOSA-N 419.497 2.963 0 50 HFAA CN(CC(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1 170611453 YRTHBXLICXIHNZ-CYBMUJFWSA-N 414.936 2.921 0 50 HFAA CSC1=NC2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@](O)(C(=O)O)N2N1 205919349 YHORAYAHSPBGBY-KHYOSLBOSA-N 416.890 2.847 0 50 HFAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 225420516 MUORCAQIJUINOM-AEFFLSMTSA-N 418.497 2.744 0 50 HFAA biogenic Cc1ccc(-c2cc(C(=O)N3CCc4nnc(Cc5cccnc5)n4CC3)n[nH]2)cc1 952966499 KBODTBFCRYSQPW-UHFFFAOYSA-N 413.485 2.661 0 50 HFAA NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)C1 952981510 ZMNXOEDNKCAPQQ-QGZVFWFLSA-N 413.449 2.874 0 50 HFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1857686241 MZAPDBLDRHGTRY-UHFFFAOYSA-N 401.440 2.879 0 50 HFAA CCS(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccccc3)n2)C1 1857687670 YSHPIGBELIQYNC-HZPDHXFCSA-N 407.561 2.714 0 50 HFAA C=CC(=O)N(C)CC(=O)N1CCC[C@]2(OC(=O)Nc3ccc(Cl)c(F)c32)[C@H]1C 1875370762 CASHLPVACSGMBT-WYRIXSBYSA-N 409.845 2.892 0 50 HFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)cn12 1940195547 WRKXSRKXHOUXJM-SFHVURJKSA-N 406.446 2.741 0 50 HFAA CCc1c(NC(=O)C[C@H]2Cc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C 2325861049 CYWFCOJAEPSRCE-MRXNPFEDSA-N 404.470 2.878 0 50 HFAA CC[C@@H]1c2ccccc2CN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896205 SVVLDXYXHQLBCT-UXHICEINSA-N 417.465 2.555 0 50 HFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 851959 LAMSAFOJSIPSQZ-UHFFFAOYSA-N 412.471 2.912 0 50 HFAA CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 1136955 YBPJNKMKGMEAGF-UHFFFAOYSA-N 401.257 2.847 0 50 HFAA Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1 1138918 XSMYIKMQNPCDGN-QGOAFFKASA-N 411.483 2.973 0 50 HFAA O=C1c2ccccc2S(=O)(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 2838213 UVTOFWFHRJHJGA-NSHDSACASA-N 402.255 2.578 0 50 HFAA COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(S(N)(=O)=O)c1 5094573 ULOWQOSFDPCDAM-VMPITWQZSA-N 411.277 2.757 0 50 HFAA O=C(c1ccc(N2CCC(NCCCc3cccnc3)CC2)cc1)N1CCOCC1 11912925 HPFUISLZCWAYIC-UHFFFAOYSA-N 408.546 2.745 0 50 HFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCCc1ccccn1)CC2 14535327 NSDATQSKQRYVFI-FQEVSTJZSA-N 403.530 2.777 0 50 HFAA CCn1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)cn1 14535720 QZHZDQNNOHARDG-IBGZPJMESA-N 416.497 2.568 0 50 HFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(CC(C)C)CC2 14539648 SWMUQUOGSGOXDI-UHFFFAOYSA-N 403.523 2.596 0 50 HFAA COc1cccc(N2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)c1 15066532 WHFGOTBHLZGHDR-UHFFFAOYSA-N 411.893 2.951 0 50 HFAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCN2CCOCC2)CC1 19836783 TXOTXGXOMAWTBT-UHFFFAOYSA-N 422.953 2.777 0 50 HFAA Cc1c(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)[nH]c2ccccc12 39359935 WFYOZUAXIAOCQV-GOSISDBHSA-N 424.545 2.686 0 50 HFAA Cc1cnccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 55182496 ZLAMINIIRWVLFX-HXUWFJFHSA-N 418.563 2.581 0 50 HFAA CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC 77437655 CMDXPKMRKKJVDN-HKUYNNGSSA-N 400.500 2.892 0 50 HFAA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCc1nc(-c2ccncc2)no1 225461351 VWJNYOUKCIMRKN-GOEBONIOSA-N 415.494 2.826 0 50 HFAA CO[C@@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)CSC)C1)c1ccccc1 299782520 WZYKPUISWRJYPA-OAQYLSRUSA-N 413.543 2.642 0 50 HFAA COc1cc(CN(C)C2Cc3ccccc3C2)ccc1OCC(=O)N1CCOCC1 511663818 NRQFTHJFMGRYDQ-UHFFFAOYSA-N 410.514 2.532 0 50 HFAA O=C(COC(=O)c1ccc2nncn2c1)N[C@@H](Cc1ccccc1)c1ccccc1 725930835 CLFZHQCLBHCGKZ-FQEVSTJZSA-N 400.438 2.986 0 50 HFAA Cn1nc(-c2cccs2)cc1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828147096 POKLXYGIFZGRGZ-LWYUSKRHSA-N 409.519 2.613 0 50 HFAA CC[C@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc(S(C)(=O)=O)cc1 952965665 FUXQVIYUZGXWLI-IBGZPJMESA-N 402.516 2.808 0 50 HFAA COc1cccc(Oc2ccc(NC(=O)c3cn(C[C@@H]4CCCNC4)nn3)cn2)c1 952986755 GAQHSTYJLDDRHS-OAHLLOKOSA-N 408.462 2.726 0 50 HFAA CNC(=O)Cc1nc(CCc2ccc(-c3ccc(Cl)cc3)[nH]2)n([C@@H]2CCOC2)n1 1772817580 FDPRTRATFYXBDU-QGZVFWFLSA-N 413.909 2.962 0 50 HFAA COc1cc(Cl)cc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1OC 1857725480 YHLGUDLUPIPYHX-JWUVWSEFSA-N 403.906 2.926 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4c(C)noc4C)CC3=O)sc2c1 1857728174 QNLXXRTVWJCCDT-ZDUSSCGKSA-N 414.487 2.969 0 50 HFAA Cn1cc(CN2CC3(CCN(C(=O)C4CCCCCC4)CC3)OCCC2=O)cn1 1857736177 YREVTXKBNKOSCW-UHFFFAOYSA-N 402.539 2.501 0 50 HFAA Cc1c(O)cccc1C(=O)N1CC2(CCCCN(C(=O)[C@H]3CCc4c[nH]nc43)C2)C1 1875330861 FORSKKRQUQYGHI-SFHVURJKSA-N 408.502 2.608 0 50 HFAA Cn1nc(-c2ccccc2)cc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2100545656 ZSELKQLYMKBFND-UHFFFAOYSA-N 402.451 2.631 0 50 HFAA O=C(Cn1ncc2ccccc21)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356151533 MNOFYPDPGXQFNW-QHCPKHFHSA-N 403.486 2.615 0 50 HFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 898294 ULBVCCXFCIDLOT-UHFFFAOYSA-N 412.427 2.567 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1 1174723 ABGALYDTJSLTJF-UHFFFAOYSA-N 423.494 2.928 0 50 HFAA Cc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 11819485 JAKZKQHBZHGKEV-FQEVSTJZSA-N 411.550 2.697 0 50 HFAA CSc1ncc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 11879776 PGFINLFIYRJDIP-CQSZACIVSA-N 400.504 2.569 0 50 HFAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC 12052674 SDPAWRZMZCCVHY-MRXNPFEDSA-N 404.536 2.643 0 50 HFAA O[C@H](COCc1ccc2c(c1)OCO2)CN1CCN(c2cccc(Cl)c2)CC1 20109723 AMNXHYRFNZHOTP-IBGZPJMESA-N 404.894 2.768 0 50 HFAA CCOc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)ccc1O 39394318 ZCECVBQWYUEGKH-OAQYLSRUSA-N 405.583 2.532 0 50 HFAA CCc1ccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cc1 95366174 BZMLXLLLBPKHEY-QUCCMNQESA-N 402.539 2.584 0 50 HFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(F)cc3F)C2)CN1CCc1c[nH]cn1 95500185 UONXPBPHYAYMCX-NRFANRHFSA-N 402.445 2.775 0 50 HFAA COc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 253429593 NWHIDQOYMDDNIC-SOLBZPMBSA-N 405.539 2.935 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cncs2)CC1 299799654 UHZMUWMDIUXPBL-GOSISDBHSA-N 405.495 2.553 0 50 HFAA CN(C)Cc1nc(C(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)cs1 1857688718 YCQDTXQVDALQOZ-UHFFFAOYSA-N 421.544 2.669 0 50 HFAA O=C(CCn1cc(Cl)cn1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857692553 KDYOYGVVNJHKQW-FQEVSTJZSA-N 401.898 2.806 0 50 HFAA CCCC[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2nncn2C)CCN1C(=O)[C@H]1C[C@H]1F 2325872819 OCNKQBZVLOFRDJ-QXCZDIPSSA-N 419.545 2.677 0 50 HFAA COC(=O)[C@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1cccc(C)c1 2356154356 RWSAANYVHMHUJD-LJQANCHMSA-N 414.527 2.852 0 50 HFAA COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCc3ccccc3C2)c1OC 1183705 CBNFQUNSCJZCSK-BQYQJAHWSA-N 403.456 2.549 0 50 HFAA CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 5051046 YHBCCRFRSWDCQN-UHFFFAOYSA-N 421.950 2.699 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)NC1CCCCC1 9483583 QMMCINLSCOOUOP-KRWDZBQOSA-N 406.914 2.820 0 50 HFAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2nccn2C)CC1 11664706 MRULRWUGBRGWQQ-UHFFFAOYSA-N 404.898 2.735 0 50 HFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1 12406146 WMXATLZDEFBCIY-LJQANCHMSA-N 410.470 2.969 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CCO)n1CCc1ccccc1 12434398 XVCSKRPJEVHCLF-IBGZPJMESA-N 405.564 2.656 0 50 HFAA Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCCN3CCOCC3)c12 20598351 JYYOAKVPRBWWRL-UHFFFAOYSA-N 405.568 2.862 0 50 HFAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 20599090 SNQQOKBEIDPPQY-OAHLLOKOSA-N 417.941 2.594 0 50 HFAA CCc1cc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)n1 82135184 WIYKBELHUPQVEV-LJQANCHMSA-N 422.577 2.740 0 50 HFAA COCCN1C[C@]2(CCCN(C(=O)C3(c4ccc(OC)cc4)CC3)C2)CCC1=O 92004492 SHBPINAODQVKLA-QFIPXVFZSA-N 400.519 2.604 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](n2cc(-c3noc(C)n3)nn2)C1 169777796 JTGSRJXOKPQRLA-CYBMUJFWSA-N 402.842 2.776 0 50 HFAA COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 221999521 XPUJALWQVXBJMR-ZHPNZGNWSA-N 403.475 2.864 0 50 HFAA CN1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)C1 229750356 ASTLOVBXOWWULM-OAQYLSRUSA-N 408.550 2.792 0 50 HFAA CCn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cn1 777695409 MQNUMIZDGJKQHR-LJQANCHMSA-N 406.490 2.537 0 50 HFAA COc1cccc(CN(C(=O)CN2C(=O)CN(C)C2=O)[C@H]2CCCc3ccccc32)c1 824776122 HJKNOOKKQBNBGA-NRFANRHFSA-N 421.497 2.995 0 50 HFAA Cc1cccc(N(CC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)S(C)(=O)=O)c1 952971859 LOSKVEYNRDVTOW-FQEVSTJZSA-N 418.515 2.958 0 50 HFAA COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N[C@]2(C)CCOC2=O)c1 1214790618 WYWLAEIREYLEMN-OAQYLSRUSA-N 413.430 2.540 0 50 HFAA O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCCN1Cc1ccncc1 1323545288 ATEJMAWGGVTSCF-DEOSSOPVSA-N 422.573 2.709 0 50 HFAA Cn1cncc1CN1C[C@@H]2CN(CCSc3ccccc3)C[C@@]2(CCC(=O)O)C1 1772819502 MOQHOKXQASPOQG-AVRDEDQJSA-N 414.575 2.811 0 50 HFAA CCOc1ccc2nc(N3C[C@H](C(=O)NCC4(CO)CCCC4)CC3=O)sc2c1 1857720105 DWZXBGNQHXFGKV-CQSZACIVSA-N 417.531 2.717 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 1857732348 MPVLPVAMNCHQPP-MRXNPFEDSA-N 408.531 2.952 0 50 HFAA CCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 921095 KYRDSEPMBKOOHH-INIZCTEOSA-N 406.467 2.947 0 50 HFAA O=C(O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 1074744 HJZKTDUEDKVSQA-UHFFFAOYSA-N 415.405 2.757 0 50 HFAA CCOc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1 1113695 QTUHMOVIXHCTLH-UHFFFAOYSA-N 418.500 2.686 0 50 HFAA O=C(NC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 1115132 GABCPWBWUYNDTO-UHFFFAOYSA-N 410.426 2.615 0 50 HFAA COc1ccc(N2C(=O)[C@@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N=C2O)cc1 2399267 AXNCORLWGUAQJR-KRWDZBQOSA-N 411.311 2.784 0 50 HFAA CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccccc1OC 2859706 WLOSNOJLCUTWEQ-UHFFFAOYSA-N 415.475 2.560 0 50 HFAA COC(=O)C1CCN(C(=O)c2cc([C@@H](C)Cc3ccc4c(c3)OCO4)no2)CC1 11996286 IQKWMEYIRYDKGR-ZDUSSCGKSA-N 400.431 2.775 0 50 HFAA COc1ccc(C(=O)N2CCN(C(=O)c3cn(C4CCCCCC4)nn3)CC2)cc1 12712246 QRABFDNFAPOEIR-UHFFFAOYSA-N 411.506 2.780 0 50 HFAA COc1cc(CNCc2cn(C)nc2C)ccc1OC[C@H](O)CN1CCCCCC1 12760835 LGTUNHQZTLVRDF-OAQYLSRUSA-N 416.566 2.643 0 50 HFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C2CCCC2)C1 14748753 RKOSYANERWJNCB-QFIPXVFZSA-N 415.578 2.570 0 50 HFAA O=C(NCc1ccccc1Cl)[C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1 15008444 GJGISWLUFBNBCK-FPOVZHCZSA-N 424.936 2.891 0 50 HFAA O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 18250470 FZBKEJPAHWHTTE-INIZCTEOSA-N 405.285 2.843 0 50 HFAA CN1C(=O)[C@]2(N=C(N)NC(Nc3ccc(Oc4ccccc4)cc3)=N2)c2ccccc21 19325376 DJUBDMLQMNCHTE-QHCPKHFHSA-N 412.453 2.994 0 50 HFAA COc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCN(CCO)CC2)cc1 19789923 WMIPFXNEDSTMIL-UHFFFAOYSA-N 419.529 2.575 0 50 HFAA CN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(Cl)s3)cc2)CC1 23358558 XGWBWIBMRBKMLM-QGZVFWFLSA-N 409.983 2.678 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3ccc(F)cc3F)C[C@H]2C(=O)NCC)CC1 23358601 UNCLWMWKBDYKML-NQIIRXRSSA-N 408.537 2.508 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C 77556372 NOSIVGGVCSCOJF-XARGGIHNSA-N 403.482 2.643 0 50 HFAA CNC(=O)C[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 225475752 RNTKMMAJAYFNGI-SFHVURJKSA-N 408.458 2.671 0 50 HFAA Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)OCc3ccccc3)c2n1 252518003 XAHNTFYQCUYHPW-RAUXBKROSA-N 404.470 2.926 0 50 HFAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 426395148 HUGGOTNZNFDEFR-CQSZACIVSA-N 404.478 2.687 0 50 HFAA COCCCN(CC(=O)NCCc1ccc(OC)cc1)Cc1ccccc1OC 1506408225 WBZYQLCJIUQRGH-UHFFFAOYSA-N 400.519 2.901 0 50 HFAA O=C(c1cccnc1)N1CCC(N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)CC1 1615964922 QOLMLOLJMXWORV-RDPSFJRHSA-N 416.525 2.770 0 50 HFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cnsc2)CC1 1857679452 VNDJKUILNMXGML-LJQANCHMSA-N 405.495 2.553 0 50 HFAA O=C(N[C@H]1CCCC12CCN(Cc1ncc[nH]1)CC2)c1cccc(N2CCNC2=O)c1 1857710911 AMUGFEFBBJRKNO-IBGZPJMESA-N 422.533 2.504 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(CCOCc3ccccc3)C[C@]23CC[C@H]1O3)c1cccnc1 1857737116 XZXLIUPKYBHWFC-JVNMPXIPSA-N 407.514 2.508 0 50 HFAA C[C@@H]1CN(C2CC2)CCN1C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 2100482210 HJUZPPLDNRYLFD-GOSISDBHSA-N 416.525 2.682 0 50 HFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(-c3noc(C(C)C)n3)cc2)CC[C@H]1O 2100557641 XNQPQMJHVADBBZ-IIBYNOLFSA-N 401.463 2.938 0 50 HFAA Cc1nn(CC(=O)N2CCC3(CC2)OCCc2ccsc23)c(=O)c2ccccc12 2356147301 QDGXXNLPYKOXIA-UHFFFAOYSA-N 409.511 2.857 0 50 HFAA O=C(c1ncccc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356159708 NKBGMFCIMUDXLE-FYQPLNBISA-N 405.498 2.872 0 50 HFAA COc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(N)=O 806064 ZYVMCLBVONNLBG-UHFFFAOYSA-N 405.882 2.661 0 50 HFAA COc1cc(C(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc(OC)c1OC 1215354 GSCYBUKHBZETKA-UHFFFAOYSA-N 417.483 2.939 0 50 HFAA CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 2905073 WRQHBDJYLHPGMX-UHFFFAOYSA-N 408.480 2.813 0 50 HFAA COc1cc(CN(C)CCn2nc(C)cc2C)ccc1OC[C@H](O)CN(C)C(C)C 12443093 QHLJBHICJYGPKC-OAQYLSRUSA-N 418.582 2.720 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 12716640 XSNYFLMQUPULKK-ZDUSSCGKSA-N 412.895 2.772 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCn4cccn4)C3)nc(C)c2c1 14974015 ZLXNEWCINYFCHH-SFHVURJKSA-N 422.533 2.956 0 50 HFAA CC(=O)c1cc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)cs1 14987318 SJILGWXHVJRFHE-UHFFFAOYSA-N 400.500 2.818 0 50 HFAA C[C@@H](Cc1ccccn1)NC(=O)COc1ccc(N(C)Cc2ccc(F)cc2)nn1 14998105 HOIALOJRHGQRMV-INIZCTEOSA-N 409.465 2.773 0 50 HFAA O=C(O)CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 16183281 GZKPHAZWORDVLM-ACCUITESSA-N 421.247 2.794 0 50 HFAA CCC(=O)Nc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 16578776 QPRKUOFNBYLFBN-UHFFFAOYSA-N 417.531 2.550 0 50 HFAA Cc1cn2cc(CNC(=O)CCc3nnc(-c4ccc5c(c4)OCO5)o3)nc2s1 19110692 SJQNIQHIXALMAG-UHFFFAOYSA-N 411.443 2.732 0 50 HFAA COc1ccc(COC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC 19720908 QACSEFQGXUUKON-FQEVSTJZSA-N 404.482 2.543 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)ccc3OC)n2)c(F)c1 49550956 QFXBUIVYBDXRMT-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA CC(C)OCCNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91288816 AVQOZGREYHGUHQ-QFIPXVFZSA-N 413.606 2.871 0 50 HFAA C[C@@H]1CN(Cc2csc(NC(=O)Cn3ccc4ccccc4c3=O)n2)C[C@@H](C)O1 225730310 REHSUMMKYNKOOF-HUUCEWRRSA-N 412.515 2.706 0 50 HFAA Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239159648 MOAFUDQMFNAOIK-HBRAGZAPSA-N 415.287 2.749 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252498838 RNEWONJCLMSXPD-MJGOQNOKSA-N 408.502 2.850 0 50 HFAA C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCO[C@@]12COCO2 252693626 FHTMINSWFXHFIA-HSPXMHFHSA-N 404.459 2.683 0 50 HFAA biogenic O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2c(c1)OCCO2 299765307 FDSWWBNNVJEBGI-HXUWFJFHSA-N 423.513 2.796 0 50 HFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1ccccc1)C2)c1cccnc1 299794242 JEAREKUEOJKAOO-HNNXBMFYSA-N 406.467 2.852 0 50 HFAA CC[C@H]1CCc2nc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3C)sc2C1 441942639 QAIGDTWGJDVEOH-LBPRGKRZSA-N 408.549 2.936 0 50 HFAA C[C@@H](OC(=O)Cn1cnc2c(N)ncnc21)C(=O)Nc1ccccc1-c1ccccc1 750505203 FAIPLSVJALWSBF-CQSZACIVSA-N 416.441 2.646 0 50 HFAA C[C@@]1(c2cccc(CNC(=O)N[C@@H]3CCCc4c(F)cccc43)c2)NC(=O)NC1=O 1468501591 YEAZZYQOWDIFBQ-GCJKJVERSA-N 410.449 2.757 0 50 HFAA COc1cc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1F 1857694147 CFQPXOOZJGCWPP-HNNXBMFYSA-N 404.467 2.860 0 50 HFAA CC[C@@]1(C(=O)NCc2ncccc2C)C[C@@H]2CC[C@H]1N2C(=O)c1cc(C)nc(C)n1 1857696890 PQTKLEGKZJGZIX-XTQVGHSUSA-N 407.518 2.887 0 50 HFAA Cc1ccc2oc(N3CCC(C(=O)NC[C@@H]4COc5ccccc5O4)CC3)nc2n1 1857709376 UMJUYDLPUJBDEB-MRXNPFEDSA-N 408.458 2.704 0 50 HFAA CO[C@H]1C[C@@H](c2nc(-c3ccccn3)nn2-c2ccc3c(c2)OCCO3)CC[C@@H]1N 1857727049 IZMJSXFSDOXFOM-QOKNQOGYSA-N 407.474 2.710 0 50 HFAA O=C(Cc1csc(-c2ccccc2)n1)Nc1nnc(CCN2CCOCC2)s1 1875250648 UODDZKOSSKUGBI-UHFFFAOYSA-N 415.544 2.718 0 50 HFAA CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 1875260308 GJZGTYNTRZYHJA-LJQANCHMSA-N 406.935 2.645 0 50 HFAA NC(=O)[C@@H]1CCCN(c2ccccc2CNC(=S)N[C@H]2CCc3ccccc3C2)C1 1875264452 JFCVCMYUMOPPRN-RTWAWAEBSA-N 422.598 2.910 0 50 HFAA COc1cc(C)c(S(=O)(=O)N2C[C@](O)(C(F)(F)F)c3cccnc32)cc1C 1875322913 NHIHEUZRMFJHDH-MRXNPFEDSA-N 402.394 2.666 0 50 HFAA CSCC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1nc2ccccc2[nH]1 1875326637 GUGYPDCSHHGCQV-QGZVFWFLSA-N 401.536 2.862 0 50 HFAA COC[C@H](O)CONC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1875356264 MVCBLBRDPMOHPN-IBGZPJMESA-N 415.877 2.790 0 50 HFAA O=C(N[C@H]1CCN(C(=O)c2ccc3ccc(Br)c(F)c3n2)C1)C1CC1 2325827462 GTQFZQVNJIBQMP-LBPRGKRZSA-N 406.255 2.877 0 50 HFAA CN(C)CCSc1nnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1C 11784339 BUAJNMNUBBQEKX-UHFFFAOYSA-N 409.559 2.917 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1 12074089 METZSWOEDTXAPI-QFIPXVFZSA-N 415.513 2.721 0 50 HFAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 12411162 FYBFAXXUDIPASL-UHFFFAOYSA-N 421.453 2.551 0 50 HFAA biogenic,in-vitro COCc1c(C(=O)N2CCN(C)CC2)c(=O)cc(C)n1CCc1ccccc1Cl 15003234 VWUPSANHVAXHCY-UHFFFAOYSA-N 417.937 2.587 0 50 HFAA CCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=N)oc2c1 17089881 QIHOGOVPZMYRGJ-UHFFFAOYSA-N 414.487 2.658 0 50 HFAA CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COCC(=O)O 17093522 CYSONQYSQHLDTM-UHFFFAOYSA-N 423.443 2.649 0 50 HFAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(OC)c3ccccc23)oc1C 39413438 ZCNHRSPEZUXMOV-LJQANCHMSA-N 423.469 2.675 0 50 HFAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)Cn1ccccc1=O 95512032 CQLPWCPQPDNWPV-LJQANCHMSA-N 401.938 2.915 0 50 HFAA CC(=O)C1=NN(c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100573256 CPPNKJORYDIDHX-DOTOQJQBSA-N 412.243 2.772 0 50 HFAA CN(C)c1ccc2c(c1)CN(C(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2 170601839 BTIOYWNHSSYOAG-UHFFFAOYSA-N 413.543 2.663 0 50 HFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 238997285 ADDPCWMDRBWVFT-HXXCKNJQSA-N 413.857 2.509 0 50 HFAA CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252515139 HNXMRFFSBDYNOJ-ULJVQLQJSA-N 419.566 2.785 0 50 HFAA COC(=O)C1=C(C(=O)OC)[C@H]2C(=Cc3ccc(OC)cc3)[C@H]1[C@]13O[C@]21[C@H]1CC[C@H]3C1 257358784 WJFAYOLPMUTRGB-LMUBQJEFSA-N 408.450 2.919 0 50 HFAA Cc1ccc2cc(CN3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)ccc2n1 328605037 MBBHDSXNHCDIFN-UNMCSNQZSA-N 419.529 2.508 0 50 HFAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 762998695 CPSRBOVWJSKKQH-FQEVSTJZSA-N 411.408 2.849 0 50 HFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)s1 824834845 ZOCKNHRSXDASMY-MRXNPFEDSA-N 422.510 2.879 0 50 HFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)Nc2ccc(OC)c(NC(=O)COC)c2)C1(C)C 1615750974 HALHNIYBVLSMKH-OYHNWAKOSA-N 419.522 2.797 0 50 HFAA C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O 944947 PCMCSAAKCUQBFA-MNOVXSKESA-N 411.483 2.595 0 50 HFAA Cc1cccc(C)c1NC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCC1 2025347 URJXIVALBOUKMW-UHFFFAOYSA-N 419.481 2.967 0 50 HFAA O=C(CN1N=N[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]21)Nc1ccccc1 2785919 BMPWVECBLLYNGA-HOCLYGCPSA-N 418.240 2.925 0 50 HFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)c(C)c1 2877332 KWJZEUOTVPCFKZ-UHFFFAOYSA-N 401.532 2.800 0 50 HFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4ccncc4)CC3)C2=O)cc1 4707967 CSRSRGXHZNRMCC-HXUWFJFHSA-N 407.470 2.770 0 50 HFAA CSc1ccc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)cc1 11661855 VDNUBZJZCHQDDL-HXUWFJFHSA-N 402.560 2.770 0 50 HFAA COCCN1CCC(CN(C)C(=O)c2cc(COc3cccc(OC)c3)on2)CC1 12709729 KVFQZJGTGMJEBT-UHFFFAOYSA-N 417.506 2.693 0 50 HFAA O=C(NCCN1CCOCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 13370611 HTCZDIAMROOUIB-SILNSSARSA-N 413.905 2.559 0 50 HFAA Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13682044 QFDFZRFRKYHSRG-OAHLLOKOSA-N 404.488 2.868 0 50 HFAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)c2cncs2)CC1=O 14533667 OVKLTTUVFQFDHI-INIZCTEOSA-N 405.495 2.808 0 50 HFAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(Cc2ccc(CO)o2)CC1=O 14732360 JTWWGYKOTXUACC-HXUWFJFHSA-N 404.482 2.797 0 50 HFAA COc1ccc(OC)c(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)c1 18141627 BGGQWMBUELJZBC-UHFFFAOYSA-N 412.471 2.767 0 50 HFAA COc1ccccc1/C=C/CN1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1 20600492 ALAKGOKTMPRCPG-DRGXBFSJSA-N 401.595 2.950 0 50 HFAA O=c1c(CNCCN2CCOCC2)cc2ccc(F)cc2n1CCc1ccccc1 23355380 XUJPDEXSLMVNHY-UHFFFAOYSA-N 409.505 2.805 0 50 HFAA COc1ccc2cc(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)cnc2c1 206229410 BHCQRRDVJNROKT-HXUWFJFHSA-N 418.453 2.735 0 50 HFAA COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCO[C@H](C(=O)O)C2)c1 485822385 MGZYIUQYUALWJM-FQEVSTJZSA-N 421.453 2.533 0 50 HFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(CCCc4ccccc4)nn23)C1 951726882 NFWONUUYIZKEIU-HNNXBMFYSA-N 405.549 2.500 0 50 HFAA Cn1cncc1CC(=O)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893044 KPFMVTZHYIXJKP-SFHVURJKSA-N 423.370 2.884 0 50 HFAA COc1cc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)ccc1NS(C)(=O)=O 1857682457 KRIADPABEGPVPX-UHFFFAOYSA-N 412.475 2.579 0 50 HFAA CC(C)CO[C@@H](C(=O)NCC1(NC(=O)c2cnn3ccsc23)CCC1)C(C)C 2325829267 DTTISTDTLIYOFH-MRXNPFEDSA-N 406.552 2.862 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 1072249 VFPVRNMPJGKRGV-UHFFFAOYSA-N 423.332 2.904 0 50 HFAA COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1nc(C)cs1)C(F)(F)F 2050497 UKUZTEUJWUMKOE-HNNXBMFYSA-N 403.382 2.734 0 50 HFAA CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(C(=O)OC)o1 4204783 NLTFNNXKOGTGNP-SUMWQHHRSA-N 407.444 2.832 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 4682448 PXYSFNAOMMSAPS-IBGZPJMESA-N 412.486 2.909 0 50 HFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 6738301 WWHMMVNSDQRJBO-LJQANCHMSA-N 406.442 2.625 0 50 HFAA Cc1ccccc1Cn1cc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)nn1 11821970 YJBVBGSONVYTDM-UHFFFAOYSA-N 404.518 2.766 0 50 HFAA COc1ccc(CC2=NO[C@H](C(=O)N3CCC([C@@H](O)c4ccccn4)CC3)C2)cc1 11911477 KETIVIQHSBBSOO-FCHUYYIVSA-N 409.486 2.750 0 50 HFAA O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12314910 CRJKAJVGRLIXID-GOSISDBHSA-N 422.485 2.704 0 50 HFAA CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)CCCCC1 12315300 XQGHFDFPPPRPBO-SFHVURJKSA-N 415.534 2.635 0 50 HFAA O=C1CC[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCc1ccccc1 12434324 PUPFCJDPQRLUER-JOCHJYFZSA-N 408.546 2.993 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 12573215 ZHLRWXIUIACMCP-ZDUSSCGKSA-N 408.442 2.555 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2c(C)nn(CC)c2C)C[C@H]1CCO 39380889 HIUJQSRPXCYGOB-OAQYLSRUSA-N 400.567 2.987 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC1(c2ccccc2)CC1 55253926 ZYPRHPGQDDVJKN-LJQANCHMSA-N 415.896 2.975 0 50 HFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 65364860 SVHFKGASRFHXNA-UHFFFAOYSA-N 410.522 2.593 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cc1 95372043 XOOBWELGDBVQDW-GOSISDBHSA-N 401.484 2.737 0 50 HFAA O=C(c1cccc(F)c1F)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 170593272 VPVSZQAOWKWXJP-HNNXBMFYSA-N 406.454 2.962 0 50 HFAA C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 241132878 JMQYCELZCRPHJR-DPZWOIPNSA-N 406.548 2.529 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 248290168 KURCBZOGMNUATP-ROUUACIJSA-N 404.507 2.785 0 50 HFAA COCc1nnc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)s1 252463096 YVZJPKUMKXPZTK-HDJSIYSDSA-N 413.503 2.840 0 50 HFAA COc1ccccc1C1=C/C(=C(/O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)N=N1 334159210 DTTVGTSYXYTZSS-FQULRUOLSA-N 415.475 2.628 0 50 HFAA CCC[C@H]1[C@H](C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 464180810 HNIYUJQZTXAPJN-ZBFHGGJFSA-N 400.566 2.810 0 50 HFAA COc1ccc2nc(CNS(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)[nH]c2c1 670473379 UINOVVDPQUAWGO-UHFFFAOYSA-N 415.431 2.570 0 50 HFAA C=CC(=O)NCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 772779733 WDYMWWSJBJINLM-NRFANRHFSA-N 400.500 2.932 0 50 HFAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccon3)s2)n1 824462307 FDDYBOGOHWKAIE-CYBMUJFWSA-N 424.504 2.891 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1Cc1cccnc1 827696496 QAUVRGUMOLEGCH-GOSISDBHSA-N 404.470 2.978 0 50 HFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccccc3NCc3ccccn3)C[C@@H]12 1704315343 SWBXAVPSCDCHPP-OFNKIYASSA-N 408.502 2.705 0 50 HFAA O=C([C@H](O)CNC1CCCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308730 UGZCMXWZCAYAJL-HSZRJFAPSA-N 405.542 2.794 0 50 HFAA O=C(Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3)N[C@@H]1C=CS(=O)(=O)C1 2049513336 BJJBHSKDXXSUHC-CQSZACIVSA-N 411.435 2.798 0 50 HFAA COCCn1nnnc1S[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 2325843588 JOTZADYZOVUEAK-AWEZNQCLSA-N 415.441 2.622 0 50 HFAA O=C(O)c1cc2c(s1)C1(CCN(Cc3ccc(OCCO)cc3)CC1)OCC2 2356155456 HUPQYWPTWLJUCR-UHFFFAOYSA-N 403.500 2.881 0 50 HFAA CC[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cc(C)on1 1080765 LXSULZYFVVWBSF-HNNXBMFYSA-N 413.503 2.874 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2873269 NQKNOZZNAVHUCD-HNNXBMFYSA-N 402.472 2.513 0 50 HFAA CN(C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)[C@@H]1CCOC1 12000902 GXRHGSODNWLWJW-OXQOHEQNSA-N 424.419 2.502 0 50 HFAA O=C(O)CCc1nn2c3ccccc3n(CCOc3ccc(Cl)cc3)c2nc1=O 12360390 SASGBFSKVVXQOT-UHFFFAOYSA-N 412.833 2.794 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 12433535 UQTIVDCLNHITRW-MRXNPFEDSA-N 414.531 2.762 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 12710667 KNEROWNZFXBVPQ-SFHVURJKSA-N 406.958 2.968 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3Cl)CN2C1=O 14749579 CFYGJRPEICHLJX-BPNCWPANSA-N 413.305 2.629 0 50 HFAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1CN(C)CCO 14991343 HOJIOEABCHETMF-UHFFFAOYSA-N 416.503 2.605 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@H]2CCOC2)O3)n1 15000299 RTTQYFIPRFSAQI-FZMZJTMJSA-N 405.907 2.975 0 50 HFAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN(C)CCN2CCCCC2)C[C@@H](C)O1 23374674 QZORAYIZJBXZRQ-CALCHBBNSA-N 419.595 2.563 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cccc(Cl)c1 169752505 OBDXFXWPIQOAHH-UHFFFAOYSA-N 408.845 2.947 0 50 HFAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 263616266 HVFRSLJSRQOMMX-OAQYLSRUSA-N 422.529 2.938 0 50 HFAA O=C(COc1ccccc1O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328606308 RAKWXCUCVBXHHX-OPAMFIHVSA-N 406.442 2.796 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C(N)=O)C(C)C)csc3C2)nc1 426489460 ACJOVOHPNTZSQZ-IBGZPJMESA-N 400.548 2.504 0 50 HFAA O=C(c1cccnc1O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 426678146 RAZOTHPAOMHBHW-NRFANRHFSA-N 401.413 2.720 0 50 HFAA COc1nc(Br)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 789414929 NKWCNOMPTAAHDO-ZDUSSCGKSA-N 419.279 2.739 0 50 HFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(Cc4ccc(Cl)cc4)nn23)C1 951726670 HKHCBBDUNPDRQR-GFCCVEGCSA-N 411.940 2.569 0 50 HFAA CN(C)c1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 952869302 OQMABWSENPABJO-LJQANCHMSA-N 418.900 2.874 0 50 HFAA OC[C@]12CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@H]1CN(Cc1ccccn1)C2 1772814335 TYBQETXBXHHEFE-WMZHIEFXSA-N 411.933 2.937 0 50 HFAA Cc1cnc(CN2CCC3(CC2)CC(=O)N(Cc2cc(C(C)C)on2)CCO3)[nH]1 1857694013 WVUCXQPTWRRMAP-UHFFFAOYSA-N 401.511 2.613 0 50 HFAA O=S(=O)(CCn1ccnc1-c1ccc2c(c1)Cc1ccccc1-2)N1CCOCC1 1875246116 YZVCJADUSSIHKD-UHFFFAOYSA-N 409.511 2.783 0 50 HFAA NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)Nc1cccc2c1OCCC2 1875347916 WCHQLANEMLQBKT-GOSISDBHSA-N 401.507 2.671 0 50 HFAA O=C1C(=CN[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccc(Cl)cc1 2082929066 YWJZEPAEJNOLLL-AWEZNQCLSA-N 416.886 2.645 0 50 HFAA CCN(CC)Cc1cc(C(=O)N2CCO[C@H](c3nnn(C)n3)C2)c(-c2ccccc2)o1 2100483152 VJTYKQCDBGBVTF-IBGZPJMESA-N 424.505 2.526 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OCC(=O)OC)ccc2ccccc12 2490381 VLMQIGDFNVZPNC-LJQANCHMSA-N 414.483 2.748 0 50 HFAA CC(C)CNc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 2877947 OODAOECMBSFWAK-UHFFFAOYSA-N 402.524 2.507 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 2883025 MFGPLWHBTUPDLR-OAHLLOKOSA-N 404.488 2.883 0 50 HFAA CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 4744165 WWHYDVCXMRDNLV-UHFFFAOYSA-N 407.488 2.776 0 50 HFAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)c5ccoc5)n4CC3)[C@@H]1C2 11788405 SWWIPZORWPBDJM-OALUTQOASA-N 409.534 2.694 0 50 HFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2ccc(F)cc2)CC1 12297566 FKUJZLDCYQCOFR-UHFFFAOYSA-N 400.450 2.772 0 50 HFAA CC(=O)Nc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 12315308 WENLYDLZHFDKJH-UHFFFAOYSA-N 412.578 2.944 0 50 HFAA O=C(CCC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1)NCc1cccnc1 12318528 SFUPGRPWEZLOFU-UHFFFAOYSA-N 409.486 2.802 0 50 HFAA Cc1cccc(N(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)S(C)(=O)=O)c1 13682704 YBAGXYPYGCACJF-FQEVSTJZSA-N 402.516 2.870 0 50 HFAA CCn1cc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)cn1 14960194 GPSFYRCPKISJRC-UHFFFAOYSA-N 420.941 2.976 0 50 HFAA CC[C@H](C)CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 14974055 KYIHFDIGCJSYBU-ZDUSSCGKSA-N 402.944 2.919 0 50 HFAA c1csc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 23360070 FJEWYRQOFKPBJT-SFHVURJKSA-N 400.548 2.654 0 50 HFAA COc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c(OC)c1 225517089 VJUJSARBHCXGSN-IBGZPJMESA-N 417.487 2.773 0 50 HFAA CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 426683917 PVKURNKULNJRNE-CQSZACIVSA-N 400.548 2.518 0 50 HFAA CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 430026563 QDVZHQWMEVUNBM-INIZCTEOSA-N 406.483 2.843 0 50 HFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1cccc(-n2cncn2)c1 497844107 YPEPOCPGYPTQGG-HNNXBMFYSA-N 406.494 2.803 0 50 HFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)CCCn1cnc2ccccc2c1=O 952970287 BWPXVJCRHXYBKP-UHFFFAOYSA-N 403.442 2.885 0 50 HFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1cccc(CN(C)C)c1 1857687148 OQIWGUPKRYLCTF-IBGZPJMESA-N 413.547 2.774 0 50 HFAA O=S1(=O)CC[C@@H](n2nc(C3CCOCC3)nc2-c2cccc3ncsc23)C1 2100473783 ZJDDCPWBUOYBSB-CYBMUJFWSA-N 404.517 2.808 0 50 HFAA O=C(N=c1ccc(-c2ccccc2)n[nH]1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 2325750261 USLULOFQHAIHHI-LJQANCHMSA-N 415.497 2.778 0 50 HFAA N=c1[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)cs1 2356156076 QCAUHXKNAHZLGL-GJYPPUQNSA-N 406.511 2.761 0 50 HFAA CC(C)(C)SCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 2085248 DYBSSVGMYCBDRI-UHFFFAOYSA-N 423.398 2.863 0 50 HFAA NC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2560802 VJZUCXPETVPQIB-LJQANCHMSA-N 411.458 2.817 0 50 HFAA biogenic,in-vitro COCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2957923 NBSKBGULQDBODP-UHFFFAOYSA-N 424.950 2.726 0 50 HFAA CC[C@@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)N2CCOCC2)C1 6489409 VQEQGNLHGAAAHT-CYBMUJFWSA-N 402.520 2.721 0 50 HFAA O=C(C1CCN(C2CCN(C(=O)C3CCCCCC3)CC2)CC1)N1CCOCC1 11818111 YGQSYIUXYJLCQS-UHFFFAOYSA-N 405.583 2.519 0 50 HFAA CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 11819395 UIIBOQCGONNDKW-OAQYLSRUSA-N 409.578 2.957 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 11935016 NKLRRIUAMIEWPK-MRXNPFEDSA-N 403.914 2.700 0 50 HFAA Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cc(F)cc(F)c4)CC3)O2)n1 11969353 KBHYJODEKKVGRF-SFHVURJKSA-N 404.461 2.642 0 50 HFAA O=C(NCCn1ccnc1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12301747 JRNAPHFJFOKYPK-LJQANCHMSA-N 416.529 2.862 0 50 HFAA CN(Cc1ccn[nH]1)C(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12307033 AEDVPYDYCIBDCQ-UHFFFAOYSA-N 419.485 2.761 0 50 HFAA COc1cc(C(=O)NC[C@H]2COCCO2)ccc1OC1CCN(C2CCCC2)CC1 12718668 RAXNDUKTMUZXLM-FQEVSTJZSA-N 418.534 2.626 0 50 HFAA CCn1nc(C)c(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCC3CC3)C2)c1C 14530682 VANUWWNPRBGHES-OAQYLSRUSA-N 411.550 2.554 0 50 HFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C 14539931 RKIMOFLZVKQOMT-LJQANCHMSA-N 416.566 2.804 0 50 HFAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc4c(c2)OCCO4)O3)nn1 14954005 VMDBYHGIQSIJCF-QGZVFWFLSA-N 419.437 2.657 0 50 HFAA Cc1cnc(CNC(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)cn1 20449635 LCKBOZJZNSRWDB-UHFFFAOYSA-N 423.561 2.652 0 50 HFAA CC(C)Cn1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)cnc1S(C)(=O)=O 55109357 SGSIQWSMIDCBHB-IBGZPJMESA-N 406.552 2.519 0 50 HFAA COc1ccccc1CCNC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O 61719320 RVVKWINKSHZRIG-UHFFFAOYSA-N 409.511 3.000 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)NC3CCCC3)CC2)C1 82148483 QZXFNXPFBVESBV-IBGZPJMESA-N 413.566 2.526 0 50 HFAA Cn1cnc(S(=O)(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1 92028468 GHKDNAAYGGKDDX-MRXNPFEDSA-N 403.483 2.737 0 50 HFAA COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 170608882 XEDGVNDEXMPZFK-HXUWFJFHSA-N 416.543 2.801 0 50 HFAA Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 299754300 QMJDKEWSIOUWIM-VNTMZGSJSA-N 409.555 2.875 0 50 HFAA O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCc2nnc(O)cc2C1 476068031 RXGVGFFHSAZFIR-UHFFFAOYSA-N 424.770 2.634 0 50 HFAA CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)NCCCn2nc(C)cc2C)C1=O 670452527 RSOVPUSVZJNTGU-GOSISDBHSA-N 414.531 2.560 0 50 HFAA Cn1cc(Cl)cc1C(=O)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CO)C1 1772808680 YDHDFMBRWWKVGT-OPAMFIHVSA-N 413.905 2.991 0 50 HFAA N=c1[nH]c2cccc(C(=O)N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)c2s1 2100536914 FKACIGGNZWYFNJ-NRFANRHFSA-N 408.483 2.598 0 50 HFAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CCCCS1 2325876307 QPBNSFSFLUXGAF-ITQYTPKQSA-N 415.559 2.799 0 50 HFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2n1 2781383 NPMKARLPTSLAKF-GHMZBOCLSA-N 422.411 2.706 0 50 HFAA O=C(C1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(c2ccccc2)CC1 2828235 KWIKCJIFXKVTOO-UHFFFAOYSA-N 407.514 2.976 0 50 HFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 6738300 WWHMMVNSDQRJBO-IBGZPJMESA-N 406.442 2.625 0 50 HFAA COc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)NC(C)C)c1 12130622 SKBPSVWRJZDEEM-UHFFFAOYSA-N 413.518 2.819 0 50 HFAA O=C(NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1)c1cccc(Cl)c1 12138677 OWOMEENFVKSNII-UHFFFAOYSA-N 403.891 2.939 0 50 HFAA COc1ccc(CCNC(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 12590734 NZEMSVAEBHEOTH-UHFFFAOYSA-N 409.442 2.689 0 50 HFAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(CCc1ccccc1)CC2 19883861 JUGUHXMOCVXVHP-UHFFFAOYSA-N 414.594 2.936 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)s1 20166970 XUZIYTXDVCZTOG-LPHOPBHVSA-N 417.579 2.556 0 50 HFAA O=C(NCCCN1CCOCC1)c1ccc(-c2ccsc2)nc1N1CCCC1 20821011 ALYXRLVWGARBDK-UHFFFAOYSA-N 400.548 2.862 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3cccnc3)C2)CC1 55167604 GOWDQODSWVRJBH-NRFANRHFSA-N 408.546 2.836 0 50 HFAA C[C@@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1cccc2ccccc12 72115746 NIQCLNYEGLDLHT-QGZVFWFLSA-N 417.575 2.653 0 50 HFAA O=C(CCc1ccncc1)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77536539 QZXWTDBHHFAQKV-UHFFFAOYSA-N 409.486 2.907 0 50 HFAA COc1ccc(C(=O)N[C@@H](C)c2nncn2C)cc1OC1CCN(C(C)C)CC1 95512456 FZJHHNLXDANHOO-HNNXBMFYSA-N 401.511 2.566 0 50 HFAA CN(C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1)[C@H]1CCCC[C@H]1O 106237779 DWSGHEPUCZLNOL-LEWJYISDSA-N 416.543 2.883 0 50 HFAA Cc1ccc2[nH]c([C@H](C#N)C(=O)c3nc(N4CCCC4)ncc3Cl)nc(=O)c2c1 140594346 QVEUSOGETFFCDD-CYBMUJFWSA-N 408.849 2.765 0 50 HFAA O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCC2(CCCCC2)O1 170611583 DXYDBUZNWISHHY-IBGZPJMESA-N 413.518 2.541 0 50 HFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C[C@H]3C[C@H](C)NC(=S)N3)CC2)c1 206626874 BHWFNJFZDUFXMZ-QFBILLFUSA-N 416.591 2.967 0 50 HFAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@H]3OC)c2)cc1 225469040 YGKRECFUOHGAOJ-RBUKOAKNSA-N 404.488 2.793 0 50 HFAA O=C1[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]43)[C@H]2C(=O)N1c1ccccc1 239203368 SFQRCMQHKXJWKY-MMPLWAHZSA-N 424.456 2.660 0 50 HFAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 252513907 ARFBMCCHJDKFLG-WRWLIDTKSA-N 416.518 2.768 0 50 HFAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCNC2=O)cc1 479384148 YWCKSPCKBTVLSL-UHFFFAOYSA-N 409.851 2.677 0 50 HFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1ccc(=O)n(-c2ccccc2)n1 485487528 GNNCTETTXFWEDJ-OAHLLOKOSA-N 403.364 2.891 0 50 HFAA O=C(COc1ccc(-n2cnnn2)cc1)NC[C@H](c1ccccc1)N1CCCCCC1 670465124 XFEXXKFGCQSPCE-JOCHJYFZSA-N 420.517 2.775 0 50 HFAA COCCc1noc([C@@H]2CCCCN2C(=O)Cc2cc3c(cc2Cl)OCCO3)n1 952976622 GAKQVKDUKMQSJV-HNNXBMFYSA-N 421.881 2.979 0 50 HFAA Cc1noc(C)c1C(=O)N1CCC(CNC(=O)[C@@H](C)n2ccnc2C(C)C)CC1 1506425309 OPEJDMPXXRDMAE-OAHLLOKOSA-N 401.511 2.841 0 50 HFAA O=C(CSc1nc(O)c2ccccc2n1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1775968514 MQEPMDPDBHYPLU-KRWDZBQOSA-N 422.466 2.721 0 50 HFAA O=C1C[C@H]2[C@H](CCN2C(=O)CCC(F)(F)F)N1CCCn1ncc2ccccc21 1857693410 WEJDQLHPGSIBFH-IRXDYDNUSA-N 408.424 2.971 0 50 HFAA O=C(CCc1ccccc1C(=O)O)NCC1(Cn2cc(-c3cncs3)nn2)CC1 1875324601 FIDUOHZLSWWQEG-UHFFFAOYSA-N 411.487 2.629 0 50 HFAA C[C@@H]1CN(C(=O)CCc2ccccc2C(=O)O)C[C@@H]1n1cc(-c2cncs2)nn1 1875327538 YMRXMVDEFGZPIB-DYVFJYSZSA-N 411.487 2.752 0 50 HFAA CO[C@@H]1CN([C@@H]2CCc3c(F)cccc32)C[C@H]1NC(=O)c1occ2c1CCOC2 2325794187 ULTNKFUOGFPZEA-VAMGGRTRSA-N 400.450 2.608 0 50 HFAA COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 780015 BMUWWJAHVAUEQS-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA COc1ccc(CCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 2984216 NSHMTAYOGVERSC-UHFFFAOYSA-N 410.923 2.782 0 50 HFAA Cn1ccnc1CN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 11819036 QSRUYXNVLBQWPR-QFIPXVFZSA-N 409.578 2.757 0 50 HFAA CCN(CCn1cccn1)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 11879110 UGCDTSPZLVTZOV-UHFFFAOYSA-N 412.446 2.824 0 50 HFAA O=C(c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)N1CCCc2ccccc21 12004024 RFXOVYXIJKMUNZ-UHFFFAOYSA-N 404.875 3.000 0 50 HFAA Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3ccsc3)C2)n1 12053927 CNQBSUDEIFJCSH-MSOLQXFVSA-N 419.620 2.568 0 50 HFAA COCCNC(=O)CCC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 12594491 BKUIATGNFGAILE-UHFFFAOYSA-N 412.534 2.907 0 50 HFAA O=c1c2c3c(sc2ncn1CCCO)C[C@H](NCCc1cccc(F)c1)CC3 14959902 CCEVCYQGXPGONW-MRXNPFEDSA-N 401.507 2.669 0 50 HFAA Cc1ccc2c(c1)[C@H](CC(=O)N1CCC(n3nccc3NC(=O)C3CC3)CC1)C(=O)N2 19114408 ZVUYVHLJPHJXPO-SFHVURJKSA-N 421.501 2.830 0 50 HFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCOCC2)cc1 19838307 PUKMGLFIKGTNFQ-HXUWFJFHSA-N 412.534 2.733 0 50 HFAA COC(=O)[C@@H]1CCCN1Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 55327956 RNWSHQXYMHHPMU-IBGZPJMESA-N 423.579 2.785 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccccn3)C2)CC1 61969729 LGNHGSHGVADBPR-OAQYLSRUSA-N 408.546 2.836 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(c3nccc4ccccc34)CC2)C1)N1CCOCC1 82109565 PRBKFJXZIPTIEF-HXUWFJFHSA-N 408.546 2.774 0 50 HFAA CS(=O)(=O)CC[C@H](c1nc(-c2ccccc2)no1)N1C(=O)c2ccccc2C1=O 225525685 YMWHEKIPFFXMHZ-MRXNPFEDSA-N 411.439 2.509 0 50 HFAA COCC[C@@H]1COCCN1C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 328594225 ZQCJBHZTQABWSU-LSDHHAIUSA-N 401.429 2.581 0 50 HFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)c2)n1 477130745 YGQPWRMNUVLJPR-IBYWPYIBSA-N 418.497 2.659 0 50 HFAA Cc1nc2ccc(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)cc2nc1C 827968232 CWUMKWSEJULFGW-UHFFFAOYSA-N 420.469 2.737 0 50 HFAA O=C(CCc1nc[nH]n1)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952892920 JXEWCBJODZWUAO-KRWDZBQOSA-N 424.358 2.659 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)CCc3ccccn3)C2)cc1 952980284 JYHPAQYIHYFEJD-GOSISDBHSA-N 401.532 2.540 0 50 HFAA CC(C)(C)c1noc(CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)n1 1704314237 XCGXUJXHPJPTAZ-UHFFFAOYSA-N 411.462 2.789 0 50 HFAA CCCCc1ncc(CN2C[C@H]3CN(c4ncc(Cl)cc4F)C[C@@]3(CO)C2)[nH]1 1772813927 BKTZQKUPRMMCMJ-VBKZILBWSA-N 407.921 2.871 0 50 HFAA Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cc(C(=O)O)cc3cccnc23)no1 1875346039 QSNJCCKVMUBCAT-HNNXBMFYSA-N 416.459 2.930 0 50 HFAA CO[C@@H](CNC(=O)Cn1cc(-c2csc(C(=O)O)c2)nn1)c1ccc(C)cc1 1875355363 HTSFGSRZMARTSI-INIZCTEOSA-N 400.460 2.517 0 50 HFAA O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCC(c2ncc3c(n2)CCNC3)CC1 1875359917 SWCSGZLNAXUHRC-UHFFFAOYSA-N 421.476 2.865 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)CC1 1875365615 GGKYBEGJIGTVCQ-SFHVURJKSA-N 412.534 2.780 0 50 HFAA CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)NC(=O)CN2C 2325708746 UYLCNMKFHHYQKH-KBXCAEBGSA-N 418.563 2.531 0 50 HFAA C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(CCO)C(=O)O 2325851532 BHVOLRKVHMKTNJ-VOJFVSQTSA-N 412.895 2.959 0 50 HFAA C[C@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3cc([C@H]4CCNC4)[nH]n3)ccc21 2325860963 AGDFHDYTPPNSTE-MNOVXSKESA-N 422.411 2.661 0 50 HFAA CC[C@@H](C)CC(=O)N1CCC[S@@](=O)(=NC(=O)c2nn(C)c3c2CCCC3)CC1 2332238390 QERAGXQJSKFXHF-JMGYQRAPSA-N 408.568 2.576 0 50 HFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O 2382513 VQTPRGZNDPHKOU-JTQLQIEISA-N 407.204 2.517 0 50 HFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 4661549 CBKYPVDLMPXQBL-WORNYLJVSA-N 404.491 2.798 0 50 HFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCOCC2)c(Cl)c1 7460769 WHHJPEHFTSLXEI-UHFFFAOYSA-N 401.850 2.541 0 50 HFAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCCc1cccnc1 12053793 MQLMDBHTHZPKSE-HSZRJFAPSA-N 409.486 2.531 0 50 HFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 12471480 FRMANVAKSKGRGR-JOCHJYFZSA-N 404.518 2.501 0 50 HFAA c1ccc2c(N3CCN(Cc4nc(-c5ccc6c(c5)OCO6)no4)CC3)ncnc2c1 12711110 TZPGZYZNLVSZFX-UHFFFAOYSA-N 416.441 2.731 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1cc2cc(Cl)ccc2[nH]1 19745202 OBNKDSVUUCIMIQ-OAQYLSRUSA-N 424.932 2.871 0 50 HFAA Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)n1 55042212 LRAJKAAQJRQKSA-INIZCTEOSA-N 424.929 2.593 0 50 HFAA CCOc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 72442278 MYBNYPSVXCUZJY-UHFFFAOYSA-N 407.478 2.724 0 50 HFAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cccc(F)c1 169757894 KYHBJXFFARNNBX-SFHVURJKSA-N 415.808 2.995 0 50 HFAA CC(=O)c1csc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c1 170593278 QMSTVCDOIARIHX-QGZVFWFLSA-N 418.540 2.948 0 50 HFAA C[C@@]1(c2cccc(-c3noc([C@@H]4CC(c5cccc(F)c5)=NO4)n3)c2)NC(=O)NC1=O 761926163 BMQMFUZSAAKHEK-KKSFZXQISA-N 421.388 2.796 0 50 HFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCCCN1Cc1cccnc1 1319685573 XCVDCDBNOJNFKM-VXKWHMMOSA-N 406.530 2.744 0 50 HFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@H]2[C@@H](C1)CN2CCc1ccccc1 1775979966 QKGUHAJTGNDBMI-GGAORHGYSA-N 405.542 2.912 0 50 HFAA Cc1cc(C(=O)N2CCC[C@@]3(CN(Cc4nccs4)CC[C@H]3O)C2)cc(C)n1 1857707308 MWDHIWDCMNPWME-WIYYLYMNSA-N 400.548 2.644 0 50 HFAA O=C1CO[C@H](Cn2ccnc2-c2ccccc2)CN1CC1CCN(CC2CC2)CC1 1857731924 UGGUBKXDDQWUMC-JOCHJYFZSA-N 408.546 2.900 0 50 HFAA C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccsc1C(=O)Nc1cnn2cccnc12 2325818683 RLIMEKAYQFPCLF-STQMWFEESA-N 419.532 2.995 0 50 HFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc(OC)n1 786511 QDVFUOGBDVZSPH-UHFFFAOYSA-N 414.443 2.547 0 50 HFAA COc1cc([C@@H]2c3cc4c(c(O)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 3871713 HLBPOYVRLSXWJJ-PDSMFRHLSA-N 414.410 2.624 0 50 HFAA biogenic,in-vitro CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC 4764320 YEQVNYWGTWEHKN-PVAVHDDUSA-N 410.536 2.738 0 50 HFAA COc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)c(OC)c1 12025473 OHNXKGDTBJHMRA-HSZRJFAPSA-N 400.519 2.868 0 50 HFAA COc1ccc(CNCC2(C)COC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12197723 IJSONEDMCSIGNP-FQEVSTJZSA-N 406.567 2.827 0 50 HFAA COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)cc1OC 13691885 HBDLHYGFBVAXGV-UHFFFAOYSA-N 410.474 2.675 0 50 HFAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 14887150 KQHLPTRIGFUNSS-UHFFFAOYSA-N 409.486 2.962 0 50 HFAA Cc1cccc(NC(=S)NNC(=S)NNC(=S)Nc2cccc(C)c2)c1 15637082 OEQXPKXEZKJJPA-UHFFFAOYSA-N 404.590 2.871 0 50 HFAA COc1ccc(CN2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c(F)c1 19537792 XHXVCJRQMVVURA-UHFFFAOYSA-N 410.453 2.661 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 65364190 NKIUHKWUYKTPGU-INIZCTEOSA-N 424.892 2.935 0 50 HFAA COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 170625649 GNNJQVZTHXXKLB-IBGZPJMESA-N 406.442 2.668 0 50 HFAA COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCc3c[nH]nn3)nc2c1 253425605 FTYYDTBAWAKKCB-UHFFFAOYSA-N 421.482 2.836 0 50 HFAA CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C2CCCCC2)c1 442081689 JEYKYRNUZXLAOO-OAHLLOKOSA-N 409.552 2.789 0 50 HFAA COc1ccc2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)sc(=O)c2c1OC 824519433 GZMSGVWUHDEJHL-UHFFFAOYSA-N 412.423 2.862 0 50 HFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](CNC(=O)CCc2ccccc2F)C1 952991216 QJURNKLMFJQCEO-QGZVFWFLSA-N 400.498 2.696 0 50 HFAA O=C(N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1)C1(N2CCOCC2)CCCCC1 1616081059 OVXASKQCOBBHRK-REWPJTCUSA-N 423.557 2.632 0 50 HFAA COCCC(=O)N1CCC2(CCC[C@H]2NC(=O)c2c(C)nc3sccn23)CC1 1857675788 JCURUOLOJBDMAN-OAHLLOKOSA-N 404.536 2.632 0 50 HFAA NC(=O)c1cncc(N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)n1 1857704435 RTTSLNPZCPCPDG-LJQANCHMSA-N 409.534 2.652 0 50 HFAA COc1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1OC 1857740803 NVNYHLXUYXGNCN-PWHSHALESA-N 408.454 2.618 0 50 HFAA COC(=O)C[C@H](NC(=O)NCCc1ccc(S(C)(=O)=O)cc1)c1ccccc1C 1875261037 MNPAQMIOEKOVFO-IBGZPJMESA-N 418.515 2.545 0 50 HFAA O=C(c1cc2c(nc1O)CCCC2)N1CCN([C@@H](CO)c2cccc(Cl)c2)CC1 1875262450 DDVDYUOPNFGKSP-FQEVSTJZSA-N 415.921 2.811 0 50 HFAA CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C 1875340559 IGZFKZPGEIDRQR-QFIPXVFZSA-N 404.470 2.608 0 50 HFAA Cc1conc1C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2[nH]ncc12 1875360261 CXODPULTGYPRJI-KRWDZBQOSA-N 415.453 2.856 0 50 HFAA O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc2sc(C(=O)O)cc2[nH]1 2325850651 DPPHZGVQKLCWFY-UHFFFAOYSA-N 412.876 2.785 0 50 HFAA C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@H](C(=O)O)c1ccccc1I 2325877565 UOGOLBFMKYQZCD-YACGNSKGSA-N 409.170 2.824 0 50 HFAA COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cc(-c3cnc(C)o3)ccc1C)CC2 2356139268 UYVCQTQADSZYGZ-MRXNPFEDSA-N 404.488 2.922 0 50 HFAA Cc1nnnn1-c1ccc(CC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 2356143280 BIGPRYZXHAVHPG-UHFFFAOYSA-N 409.515 2.665 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1 882819 MGPYMQGSFKXWAQ-UHFFFAOYSA-N 413.459 2.578 0 50 HFAA O=S(=O)(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2857861 NSEDCJWOHBWSQZ-UHFFFAOYSA-N 402.497 2.966 0 50 HFAA COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 3479050 VKRFXCMYHHMLLD-UHFFFAOYSA-N 404.488 2.585 0 50 HFAA O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 4523762 WRLVVXLUBGRKMK-UHFFFAOYSA-N 417.421 2.556 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)c(OC)c1 11935480 AWDXNIVVWKVCKC-MRXNPFEDSA-N 414.506 2.684 0 50 HFAA CC[C@H](C)CC(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 12035096 PXMNMSVHHDXCGL-MBSDFSHPSA-N 422.614 2.950 0 50 HFAA CN1N=C(C(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)CCC1=O 12305622 WYYCAOFRXARTDK-UHFFFAOYSA-N 411.550 2.673 0 50 HFAA O=C(c1c(F)cccc1F)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 12443095 OQDPHQDMIOJUDD-UHFFFAOYSA-N 405.489 2.904 0 50 HFAA O=C(CCC1CCN(Cc2cccn2-c2ncccn2)CC1)NCc1cccnc1 12448289 HVIVQMAYKGSYMW-UHFFFAOYSA-N 404.518 2.971 0 50 HFAA O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCCN(c2ncccn2)CC1 19111813 CQCXGZFISCOBLV-UHFFFAOYSA-N 415.400 2.674 0 50 HFAA COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 19551557 CJBCIMYFJTXADW-UHFFFAOYSA-N 400.475 2.679 0 50 HFAA CCn1nc(C)cc1C(=O)N1CCC[C@H]2CN(C(=O)c3cccc(OC)c3)CC[C@@H]21 43641762 NCVUNMMFUIRNMS-ICSRJNTNSA-N 410.518 2.987 0 50 HFAA Cc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1C 65362370 KFJNIEYQDMPEAA-SFHVURJKSA-N 418.501 2.898 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccccc2Cl)n1 65363731 DZGAVCUKPQFGBB-UHFFFAOYSA-N 409.943 2.819 0 50 HFAA CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)[C@H](c2cccnc2)N1C 67674758 VENNJWKYLQUDDZ-MHRUYAEQSA-N 403.523 2.580 0 50 HFAA C[C@H](Cn1cncn1)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67872400 YZTDPKQVMIROEH-QGZVFWFLSA-N 408.506 2.539 0 50 HFAA Cc1cccc(-c2nnc(S)n2CCC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c1 170600927 JSMNLVQDYXHYFZ-AWEZNQCLSA-N 403.552 2.694 0 50 HFAA C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248155022 LJEQGJJOJBFCJQ-ZXFNITATSA-N 411.502 2.829 0 50 HFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(OC)ccc4OC)c3CO2)cc1 263615766 FDTKDRZTSURVDY-IBGZPJMESA-N 410.430 2.828 0 50 HFAA CCC[C@@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 299770327 PXUXFRYUUPCYCK-REWPJTCUSA-N 415.534 2.874 0 50 HFAA CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3(c4ccc(F)cc4F)CCC3)c2C1 487329556 XZPHKYLBLWDMHT-AWEZNQCLSA-N 402.445 2.669 0 50 HFAA CCn1cc(-c2nn(C)cc2C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)cn1 777695408 MQNUMIZDGJKQHR-IBGZPJMESA-N 406.490 2.537 0 50 HFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCc1nc2ccccc2[nH]c1=O 1506395536 JJHSMTNVHMQILD-UHFFFAOYSA-N 405.433 2.839 0 50 HFAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1COC[C@@H]1Cc1ccncc1 1616069618 OTNLEKSWYRLZAL-WMZOPIPTSA-N 400.500 2.709 0 50 HFAA Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772808678 YDHDFMBRWWKVGT-AOMKIAJQSA-N 413.905 2.991 0 50 HFAA COc1ccc(F)c(F)c1C(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857675163 MMLVDQKMUUZAIR-OAQYLSRUSA-N 402.397 2.863 0 50 HFAA CC[C@]12COC(=O)N1CCN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)C2 1857677428 BGNHTNXWBYOHIF-QFIPXVFZSA-N 405.458 2.536 0 50 HFAA COc1ccc(-n2cccn2)c(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C(C)=O)CCO2)c1 1857680207 HZWWCZWVEMWURN-NPHXMPSESA-N 410.518 2.625 0 50 HFAA Cc1ccc(S(=O)(=O)c2nc(NN)sc2S(=O)(=O)c2ccc(C)cc2)cc1 1857800129 GEWSTUIIFGTJST-UHFFFAOYSA-N 423.541 2.711 0 50 HFAA Cc1ccc(C(=O)N[C@H]2COCCN(C(=O)COc3ccccc3Cl)C2)cc1 1875361677 YXBWAJYWYGSMCC-QGZVFWFLSA-N 402.878 2.685 0 50 HFAA NC(=O)CNc1ccc(C(=O)N2CC(=O)Nc3ccccc3[C@@H]2c2ccccc2)cc1 2325875669 ZJEZRCGCIBTMAW-QHCPKHFHSA-N 414.465 2.768 0 50 HFAA O=C1CC[C@H](N2Cc3cc(NC(=O)Nc4ccc5occc5c4)ccc3C2=O)C(=O)N1 2325901384 BYGGCVHAOHNTIT-KRWDZBQOSA-N 418.409 2.838 0 50 HFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356139269 VIOCTCDUMZBSJF-QHCPKHFHSA-N 416.485 2.664 0 50 HFAA CC(C)C(=O)N1CCC(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)CC1 2356141695 LVBVCXLNYKHNFG-UHFFFAOYSA-N 406.548 2.957 0 50 HFAA CCCCn1nc(CC(C)C)c2c(N3CCCN(C(=O)COC)CC3)ncnc21 2356170886 VTMBOYMVRXFKSR-UHFFFAOYSA-N 402.543 2.510 0 50 HFAA Cc1nn(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1Br 707741 JUFKKGPTTNXTKS-UHFFFAOYSA-N 418.295 2.699 0 50 HFAA COc1ccc(OC)c(N2C(=S)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 1128435 BKQBTEWJKJIGSS-ZWKOTPCHSA-N 418.540 2.789 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 11820934 AJLNVWLIMKWEDW-QGZVFWFLSA-N 411.502 2.700 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nn1 14989923 BKQJBOGNRGSLKD-UHFFFAOYSA-N 422.533 2.942 0 50 HFAA Cc1cccnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77486800 YSCMUVASMOELHK-CIEVZJJWSA-N 409.530 2.853 0 50 HFAA CCc1cc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)on1 82097863 FKVYKMIAUPZMLZ-IBGZPJMESA-N 411.550 2.625 0 50 HFAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cn2cccnc2=O)cc1 91593343 IECOGDDLWWXIOL-LJQANCHMSA-N 405.502 2.920 0 50 HFAA COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1 169759861 OMQOHHMVKUSTME-OAQYLSRUSA-N 407.426 2.822 0 50 HFAA CC(=O)Nc1cccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 334161596 DVJXGZNYBGHFHR-LJQANCHMSA-N 408.458 2.527 0 50 HFAA C[C@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCN1CC(C)(C)O 436037347 ZNDCSFNBNAWUMM-KRWDZBQOSA-N 423.985 2.875 0 50 HFAA COC[C@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952892091 DWJINXMGUWVALB-OXJNMPFZSA-N 403.498 2.875 0 50 HFAA O=C1CCCN1CCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303449 ZDTOUIGBSQOAAA-XMMPIXPASA-N 404.514 2.963 0 50 HFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857730880 BBQGGUKXMRGQSI-MPGHIAIKSA-N 416.971 2.823 0 50 HFAA COc1ccc2[nH]nc(CN3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)c2c1 1857740309 MXSLCGIDWHPUNV-XPNTWCBSSA-N 404.470 2.846 0 50 HFAA C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccc(-c2ccncc2)cc1 1875258884 LYOAALNIEQEKTL-LAUBAEHRSA-N 403.486 2.986 0 50 HFAA O=C(c1ccc2ccnc(O)c2n1)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 1875350992 HLNBLRVZJLEBKI-ZDUSSCGKSA-N 416.359 2.585 0 50 HFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCC[C@]12CCCN(CCO)C2=O 2356164037 BQOWNHNFLMUGJZ-NRFANRHFSA-N 405.926 2.530 0 50 HFAA COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 1078848 UFCYZFSDWZELCK-UHFFFAOYSA-N 420.531 2.633 0 50 HFAA CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4182996 KSCZOTRTSALMLX-IBGZPJMESA-N 417.527 2.852 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(=O)[nH]1 12304253 CAMKDHDGVFECNW-LJQANCHMSA-N 424.545 2.720 0 50 HFAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1C(=O)CSC1=O 12585170 IEYODURHFIAPSP-INIZCTEOSA-N 423.966 2.748 0 50 HFAA COc1cccc(CNCc2cccc(Cl)c2)c1OC[C@H](O)CN1CCOCC1 14948020 ALIZKHJXNBDXAT-HXUWFJFHSA-N 420.937 2.710 0 50 HFAA COc1ccc(CCNC(=O)c2cn(C(C)C)cc(C(=O)NC(C)(C)C)c2=O)cc1 14958699 IJKNVHWTYIPEQT-UHFFFAOYSA-N 413.518 2.939 0 50 HFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCC3CCCCC3)cc2OC)CC1 20534714 ODUSGNMCSBLVAX-JOCHJYFZSA-N 419.610 2.742 0 50 HFAA CC(C)NC(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1Cc1cccc2ccccc12 20996426 CCBNQOVRCZGXRM-VWNXMTODSA-N 408.590 2.991 0 50 HFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)C12CCCCC2 49543796 ZZQHTMSZVCPXIA-YLJYHZDGSA-N 400.519 2.871 0 50 HFAA biogenic COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3nc(C)no3)CC2)c1 95507355 FUXXKLOEOGJUGL-UHFFFAOYSA-N 400.479 2.666 0 50 HFAA O=C(c1cccc(F)c1F)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 170593271 VPVSZQAOWKWXJP-OAHLLOKOSA-N 406.454 2.962 0 50 HFAA O=C(CCCn1nnc2ccccc2c1=O)NCCn1ccc2c(Cl)cccc21 170625262 LUKAKZKPAAPVFL-UHFFFAOYSA-N 409.877 2.996 0 50 HFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 239403345 RVFNRVLOUHFGGZ-SRTKAIALSA-N 401.818 2.814 0 50 HFAA CN1CCC(O)(c2ccc3c(c2)CN(Cc2ccc4nsnc4c2)CCO3)CC1 299767241 PZVGIAQJKCILHZ-UHFFFAOYSA-N 410.543 2.999 0 50 HFAA C[C@H](C(=O)N(C)c1ccccc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328606545 RYJSAVWNABQCHJ-SEPYTNNBSA-N 418.501 2.932 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3ccccc3C)C2=O)c1 463433453 XXOFLZRYFVWOPL-OAQYLSRUSA-N 400.500 2.934 0 50 HFAA CC[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1 952982813 QZXYEYDGFAQJPZ-LJQANCHMSA-N 402.516 2.552 0 50 HFAA CSCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1 953045626 OOHHWEREOQPCCR-UHFFFAOYSA-N 416.232 2.552 0 50 HFAA NS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)c1 1290162607 XROMWWOVHSBDBM-CWRNSKLLSA-N 407.289 2.621 0 50 HFAA CC(C)N1CCC[C@H]1CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CCCN1C(C)C 2325727898 FJFPHRCTASBSIB-OYRHEFFESA-N 408.631 2.819 0 50 HFAA COc1cccc(-c2cccc(C(=O)N3CCC[C@]34CCCN(CCO)C4=O)c2)c1 2356161691 FUEAUPXWAQCAAJ-DEOSSOPVSA-N 408.498 2.952 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(S(=O)(=O)c2ccccc2OC)CC1 2356166550 CHDLANDVKBXMLJ-UHFFFAOYSA-N 403.500 2.957 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1 4661553 CBKYPVDLMPXQBL-GJPUVDBCSA-N 404.491 2.798 0 50 HFAA Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCOCC1 4842929 JAYAYMJUZVUHJH-UHFFFAOYSA-N 417.318 2.652 0 50 HFAA CCOC(=O)N1CCC(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 6876450 ZNNJKVQCTQJBPX-UHFFFAOYSA-N 405.426 2.734 0 50 HFAA O=C(Cn1nnnc1CN1CCCC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 12454208 NJPRXDKWCBOYIM-OAQYLSRUSA-N 410.909 2.828 0 50 HFAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC 12707757 IYCZMDLABLHGKA-HXUWFJFHSA-N 419.566 2.587 0 50 HFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1ccccc1Cl 14743195 VPJGORAEJOWWSB-WBAXXEDZSA-N 403.910 2.508 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 14743226 PMMMGJSVRWFKOD-MRXNPFEDSA-N 402.539 2.878 0 50 HFAA COc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1 14755332 WLBRCCXNOREYJX-VQTJNVASSA-N 407.514 2.665 0 50 HFAA Cc1c(C(N)=O)sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C 17090345 OECRTEFHNPDWAG-UHFFFAOYSA-N 415.515 2.717 0 50 HFAA COc1ccc(CCNC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)cc1OC 169765722 ULOODTVZZINDSE-OAQYLSRUSA-N 409.486 2.688 0 50 HFAA COc1ccccc1/C=C/C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12 169776367 SSMHBCFILRDYLW-CMDGGOBGSA-N 416.441 2.995 0 50 HFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1OC 169779800 JJRIYGBZHHLERO-UHFFFAOYSA-N 422.485 2.906 0 50 HFAA COc1ccc(-c2noc(CN3CCC[C@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC 170591265 ROWKYNUBEUMJSZ-IRXDYDNUSA-N 413.478 2.575 0 50 HFAA Cc1noc(C)c1N(C)S(=O)(=O)c1cc(C(=O)O)c(Br)cc1F 170653921 NJWFPGHWUMSCLT-UHFFFAOYSA-N 407.217 2.716 0 50 HFAA Cc1cc(N)n(CC(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 952972456 PJVOAPVINPPIFU-UHFFFAOYSA-N 416.835 2.580 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-n4cccn4)cc3)C1)CC2 1704301388 XHCVJFQJSNQMSY-QHCPKHFHSA-N 402.502 2.849 0 50 HFAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)c1C 1772708770 JPOGYUQGTLIFGC-URXFXBBRSA-N 408.546 2.773 0 50 HFAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1F 1857689478 FOYHVFXZQUWMMM-HKBOAZHASA-N 412.505 2.679 0 50 HFAA O=C(O)[C@@H]1CN(Cc2cccc(F)c2)CC12CCN(CCCn1cccn1)CC2 1857693445 XEGYTOXIQUWMJQ-FQEVSTJZSA-N 400.498 2.711 0 50 HFAA CCc1nnc(N2C[C@@H](C(=O)N(C)CCCOc3ccc(C)cc3)CC2=O)s1 1857707775 JOSJCTKQVWUKEY-HNNXBMFYSA-N 402.520 2.689 0 50 HFAA O=C(Nc1ccc(-n2nccn2)nc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1875254595 FUQVOUWGXPFAAD-UHFFFAOYSA-N 424.420 2.711 0 50 HFAA COc1ccc(-c2c(-c3oc(C)cc(=O)c3O)cnn2[C@H]2CCS(=O)(=O)C2)cc1 2049513443 VLTZCDVACGLUPR-AWEZNQCLSA-N 416.455 2.553 0 50 HFAA CCOC(=O)N1CCC(N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)CC1 2100556437 NKFLXZZFIZTYSF-UHFFFAOYSA-N 400.523 2.960 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 2325819348 BVPFLYQHHKMQCJ-GDBMZVCRSA-N 406.529 2.780 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(F)c1 2356137014 OLFSZKBMRJBBIB-FQEVSTJZSA-N 404.511 2.659 0 50 HFAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 858377 BTEFOGHZHZZOIB-UHFFFAOYSA-N 419.484 2.970 0 50 HFAA COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N([C@H](C)c3ccccc3)C2=O)c1 3612146 YPDNOLKVOHTGCF-CWTRNNRKSA-N 421.375 2.997 0 50 HFAA O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6701350 CFNRNSJJPVPRQR-FQEVSTJZSA-N 409.511 2.952 0 50 HFAA CSc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)s1 9143316 WJXRIVCHSBWOLK-UHFFFAOYSA-N 405.534 2.979 0 50 HFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 11784687 UPDMWDNAPQRAFT-MAUKXSAKSA-N 414.893 2.882 0 50 HFAA COc1ccc(CCN[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc1 14748426 OXLLYIWROCUNMJ-SFHVURJKSA-N 422.529 2.984 0 50 HFAA CCn1nc(C)c(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C 14969053 BKTMITNMUDLVPR-SFHVURJKSA-N 420.579 2.719 0 50 HFAA CCOC(=O)c1cnn(-c2ccccc2Cl)c1CNCCCN1CCCC1=O 14993212 ZPXNXNSXXKQQSP-UHFFFAOYSA-N 404.898 2.805 0 50 HFAA O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)N1 22275907 QHVWNLRXGXIUNV-RIYZIHGNSA-N 417.215 2.907 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 22930870 SKRMGAKPBZQYJE-QNBZTBGESA-N 405.498 2.658 0 50 HFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 32121383 JMTNNQJWAAUZKD-BOPFTXTBSA-N 414.458 2.978 0 50 HFAA CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1ccnc(OCC(F)(F)F)c1 225853909 GSIMKURFDGVKSX-SNAWJCMRSA-N 418.416 2.903 0 50 HFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C(=O)O)C1=CC[C@H]2C1=CC(=O)OC1 257349268 MXFWAFDRZXOGBT-KKAUFQCFSA-N 402.487 2.589 0 50 HFAA COC(=O)c1cn(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc2c(=O)[nH]nc1-2 263588064 OPPCCYNEYNWGJX-UHFFFAOYSA-N 419.319 2.580 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc(N(C)C)nc3)CC1)OCC2 1704340888 WZUSVTJHKMRDIF-UHFFFAOYSA-N 411.502 2.869 0 50 HFAA O=C(NCCC(=O)N1CCN(CC=Cc2ccccc2)CC1)c1ccc(F)cc1F 1857532548 SCKHHJUQOCTGAX-UHFFFAOYSA-N 413.468 2.942 0 50 HFAA COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 2325701891 GZRZGPUXPNBYSB-HDICACEKSA-N 416.424 2.889 0 50 HFAA COc1cc(C(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)nc2ccccc12 2356143581 OAKJWIMJFAWVRB-DENIHFKCSA-N 400.475 2.957 0 50 HFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 856664 IMKXAEVDHUDFDQ-YXTQBTIXSA-N 406.475 2.638 0 50 HFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCc2ccccc2Cl)cc1 1120493 CCGBGTBRULCAEH-QGZVFWFLSA-N 406.891 2.645 0 50 HFAA COCCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 1891400 NRPXXWCQAKPWCW-UHFFFAOYSA-N 411.410 2.922 0 50 HFAA biogenic O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 2863582 XPZPEUDAGUKRRQ-HNNXBMFYSA-N 416.718 2.823 0 50 HFAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5064135 VKJYJXDWJSOVDS-UHFFFAOYSA-N 407.561 2.754 0 50 HFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc(C)o2)c1=O 11869813 NIEFMXOUBCEUAP-UHFFFAOYSA-N 407.470 2.672 0 50 HFAA Cc1cc(CNC(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)on1 11997009 XVZIRKXKBPRNIN-UHFFFAOYSA-N 414.506 2.793 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)O1)c1ccccn1 12036328 PYIUKGBFEJPPIK-IBGZPJMESA-N 411.477 2.733 0 50 HFAA CSc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1 12371912 QMGSWSUQQMRBLV-UHFFFAOYSA-N 418.478 2.908 0 50 HFAA COCCc1nc2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)C(=O)C3)cc2o1 12835507 STTQDIGEENRJFC-UHFFFAOYSA-N 411.433 2.640 0 50 HFAA O=C1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14531068 KKEAUSMTYZKPTK-QFIPXVFZSA-N 419.525 2.779 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(Cl)c1)C2 14539594 HDJVCYSUXNXYRF-INIZCTEOSA-N 404.967 2.910 0 50 HFAA CCOc1cc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)ccc1O 14999642 QUAUSOWCBGOBEY-UHFFFAOYSA-N 413.522 2.846 0 50 HFAA CCN(CC)C[C@H](O)COc1ccc(CN(C)CCc2ccccn2)cc1OC 15070757 MXCGQFUDWMYQJL-NRFANRHFSA-N 401.551 2.846 0 50 HFAA CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nncn2n1 46016731 OWJCQUQZGAAMMZ-OAHLLOKOSA-N 403.446 2.881 0 50 HFAA Cc1cccc(N2CCN(C(=O)c3cccc(N(C)S(C)(=O)=O)c3)CC2)c1C 67601975 DKIIFRVXQNRLQD-UHFFFAOYSA-N 401.532 2.662 0 50 HFAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cccc(C)n2)C3)cc1 67772995 MWWVARGKLGEHHC-UHFFFAOYSA-N 420.469 2.735 0 50 HFAA COc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 169770481 TVMGZLVHJITNAN-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)C1 253418650 UPWXUPCNAFDOGY-CYBMUJFWSA-N 411.449 2.997 0 50 HFAA COCCN1C(=O)C[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C(C)C)c1 328603115 DWCWZNGXKIWZPH-VBKZILBWSA-N 415.469 3.392 0 50 HFAA CCn1c(C)cc2cc(NC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21 823582615 QPSMSLIXQUPYDR-IBGZPJMESA-N 403.548 2.807 0 50 HFAA Cc1ccc(CN2C[C@H]3CN(Cc4ccc5c(c4)OCCO5)C[C@]3(CO)C2)s1 1772810281 FOFGJLFFIFWLLV-XMSQKQJNSA-N 400.544 2.754 0 50 HFAA O=C(NCC[C@H]1COc2ccccc2O1)N1CCC[C@H](Cc2nnc3ccccn23)C1 1875261220 OFFHKXOJJKDSPA-MSOLQXFVSA-N 421.501 2.924 0 50 HFAA Cc1cccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C(=O)O)c1 2325851919 MTPKZCLQAOMQIT-PXNSSMCTSA-N 420.469 2.666 0 50 HFAA COC(=O)c1sc(S(=O)(=O)Nc2ccc3c(c2)CNC3=O)c(C)c1Cl 2325899056 LNBQKQIEYUVVQE-UHFFFAOYSA-N 400.865 2.541 0 50 HFAA COc1cc2c(cc1OC)CN(C(=S)NS(=O)(=O)c1ccc(C)cc1)CC2 1123493 QWCAOIWFLNNMFQ-UHFFFAOYSA-N 406.529 2.634 0 50 HFAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC)cc1 1425276 MXDRZRIUJXLLPV-HXUWFJFHSA-N 406.442 2.916 0 50 HFAA Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1 2022686 SRUISGSHWFJION-UHFFFAOYSA-N 401.532 2.899 0 50 HFAA biogenic,investigational Cc1c(NC(=O)c2c(NC(=O)c3cc(Br)cs3)cnn2C)cnn1C 2731202 UNZAPTNBSAEUEI-UHFFFAOYSA-N 423.296 2.791 0 50 HFAA O=C(CNC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 3287600 ORJXUCNFLNEVHJ-UHFFFAOYSA-N 422.532 2.579 0 50 HFAA CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 4474016 JPFOIBXQRIEWIH-KJAJEWJFSA-N 409.417 2.596 0 50 HFAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CCCCC1 4869802 SRRSBCIEWOZOEU-UHFFFAOYSA-N 400.928 2.952 0 50 HFAA COCCNC(=O)c1c(Cc2ccccc2C)n(Cc2ccncc2)c(C)cc1=O 14987708 JFUXKLCQGGJQFI-UHFFFAOYSA-N 405.498 2.875 0 50 HFAA CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccoc1)CC2 14999818 QTTBCSSVNVGYBX-IBGZPJMESA-N 408.506 2.842 0 50 HFAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3ccnc(-n4cnnn4)c3)C2)c1 15080467 OYYNSTCECWHZHL-SFHVURJKSA-N 420.473 2.580 0 50 HFAA O=C1C[C@@H](N2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)cc1 18217932 OBDLMZXQNHHWSC-GOSISDBHSA-N 411.433 2.763 0 50 HFAA COc1cccc(CN2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)c1 36385713 UQANRKGMGLONLZ-JOCHJYFZSA-N 406.530 2.950 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)CC1 55133083 LJCAEJCZUJHBBP-RJRNSMGGSA-N 406.530 2.917 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 77287143 STYPJDDTMOPAOV-BLRYILKCSA-N 421.497 2.540 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(F)cc4)CC3)n[nH]c2=O)cc1 169777363 HWDHZAVLYPQKEB-UHFFFAOYSA-N 410.449 2.787 0 50 HFAA Cc1csc(C(=O)OCCOCCn2cccn2)c1I 170605050 QBSQESMARRIICV-UHFFFAOYSA-N 406.245 2.731 0 50 HFAA CCOC(=O)c1cnc(/C(C)=C/c2cc3c(cc2Br)OCO3)[nH]c1=O 170605418 OZGCHHVMCJUPRR-RUDMXATFSA-N 407.220 2.998 0 50 HFAA Cc1cccnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299785729 LLMNXQXIAOFDMD-NRFANRHFSA-N 413.493 2.800 0 50 HFAA O=C1NC(=O)N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 469910650 PREPZWHXBQHFNL-MRXNPFEDSA-N 403.360 2.749 0 50 HFAA Cc1nsc(N2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)CC2)n1 769505325 GARHYSIXHOTWRK-UHFFFAOYSA-N 424.574 2.944 0 50 HFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 1506416968 HCZACAUBECHJTP-ZDUSSCGKSA-N 420.516 2.729 0 50 HFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)CC2 1857700231 DYNJHVLFRXWUCV-UHFFFAOYSA-N 413.481 2.807 0 50 HFAA Cc1ccc(F)cc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857726284 KHTMUNZBMYGNQY-SFTDATJTSA-N 400.498 2.936 0 50 HFAA N[C@@H](Cc1cc(-c2ccc(Cl)cc2Cl)cc(CP(=O)(O)O)c1O)C(=O)O 2581411 NYZFUZCCDOSQBG-AWEZNQCLSA-N 420.185 2.998 0 50 HFAA in-vitro Cc1cc2c(=O)n(C)c(SCC(=O)N3CCN(c4ccccc4)CC3)nc2s1 4413324 AKOGFHPRPICJBB-UHFFFAOYSA-N 414.556 2.744 0 50 HFAA COc1cc(CO[C@H]2CN(Cc3cccnc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14534565 RWXLXRDMZUGCCR-QFIPXVFZSA-N 413.518 2.737 0 50 HFAA COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CC(C)C)CC2)C1=O 14741638 BUJYJQFNCJROLL-UHFFFAOYSA-N 417.550 2.639 0 50 HFAA CN(C)S(=O)(=O)c1cc(NCC2CC2)cc(C(=O)N2CCc3ccccc3C2)c1 14747952 KPLRUMANACZMJT-UHFFFAOYSA-N 413.543 2.957 0 50 HFAA COc1cc(CNCc2ccc(C)s2)ccc1OC[C@H](O)CN1CCC(O)CC1 14949342 ASDYEDOKKBDRIM-LJQANCHMSA-N 420.575 2.551 0 50 HFAA OC1CCN(C[C@@H](O)COc2cccc(CNCc3ccc(Cl)s3)c2)CC1 15068989 WESNUIJHLVQGBU-QGZVFWFLSA-N 410.967 2.888 0 50 HFAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15078436 LIXJMKUVQMBWSS-UHFFFAOYSA-N 410.518 2.779 0 50 HFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1)NC1CCCC1 16622091 XABUEGWISQMUDM-UHFFFAOYSA-N 418.968 2.515 0 50 HFAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)CC1 20453788 INFCJGUNCYAXGX-UHFFFAOYSA-N 405.514 2.631 0 50 HFAA COCc1nn2c(nnc3c(=O)n(Cc4ccccn4)ccc32)c1-c1ccc(F)cc1 40392299 PKFPCJKHBQUZOK-UHFFFAOYSA-N 416.416 2.835 0 50 HFAA CCN(Cc1ccncc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77320478 HBQAOLAULZAKSB-XARGGIHNSA-N 421.472 2.551 0 50 HFAA O=C([C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCOCC1 82121877 WMENPNDSWOYSRH-SFHVURJKSA-N 412.534 2.758 0 50 HFAA O=C(NCCC1(O)CCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 91663832 QNEVVBBZHWFYQX-OAQYLSRUSA-N 414.594 2.569 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2CCO)n1 96851283 KZZMHVHGELUNNM-QHCPKHFHSA-N 409.509 2.784 0 50 HFAA CCOc1cc(NC2CCN(C(=O)NCc3ccc(-n4cccn4)cc3)CC2)ncn1 466586475 DFRXIDBUFSLQFT-UHFFFAOYSA-N 421.505 2.847 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCN(CC3CC3)CC2)ccc1F 1704308423 QWXQJYXLEYPKQF-UHFFFAOYSA-N 402.470 2.723 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(Cc3ccc(F)cc3F)CC(=O)N2[C@H]1c1ccccc1 1857732089 BLOBLNUHGKKACR-WFXMLNOXSA-N 400.425 2.912 0 50 HFAA CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CC(=O)NN1Cc1ccccc1 937075 IGMOUVMIKURCBR-MRXNPFEDSA-N 401.488 2.731 0 50 HFAA CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 1146828 WLRULANKUYUALZ-UHFFFAOYSA-N 411.277 2.569 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 1463538 SRSGGEUKDCOFHK-INIZCTEOSA-N 423.535 2.668 0 50 HFAA CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 2852731 NCRJBCXFDQPNNH-UHFFFAOYSA-N 403.504 2.865 0 50 HFAA CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 2868708 JDPPPWKHCKMGLF-QGZVFWFLSA-N 408.410 2.639 0 50 HFAA COc1ccc(C2=NO[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)cc1OC 5031238 BQRQOGDFKDWTLT-IBGZPJMESA-N 416.430 2.861 0 50 HFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)CC1 11765751 UALWNMAKMJTNRI-QFIPXVFZSA-N 402.535 2.869 0 50 HFAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 11859110 ZSDOFPOOXFKXDY-TXPKVOOTSA-N 424.375 2.895 0 50 HFAA CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12318349 ZFLQPFHRJQHWCW-HSZRJFAPSA-N 416.525 2.626 0 50 HFAA O=C1CCCCN1CC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12763262 QEMPCEQEFACWOM-JOCHJYFZSA-N 405.489 2.792 0 50 HFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H](C)CSC)CC2 14539643 WXCWIPHVHNOVPZ-QGZVFWFLSA-N 404.580 2.884 0 50 HFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2)CN1Cc1ccc(OC)c(C)c1 19113330 QSXCGEBBAZEHBE-MOPGFXCFSA-N 400.450 2.689 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 19211534 PMSMGLDMLIDQIK-UHFFFAOYSA-N 420.531 2.527 0 50 HFAA CC(C)N1CCC(N2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)CC1 20452645 DXFBONKKLHMOLG-QHCPKHFHSA-N 411.594 2.614 0 50 HFAA O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32102586 QHJRJVGESQFAIG-CYBMUJFWSA-N 422.386 2.815 0 50 HFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528652 KHSFWOULYRQEHP-UHFFFAOYSA-N 410.478 2.550 0 50 HFAA COc1cc(C(=O)N[C@H]2CCOC(C)(C)C2)ccc1OC1CCN(C(C)=O)CC1 77338299 YKZOUCNTBOOUNW-KRWDZBQOSA-N 404.507 2.772 0 50 HFAA O=C1CC[C@H](C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)N1 95524717 XTDBDBFQPIDHCB-HXUWFJFHSA-N 403.482 2.520 0 50 HFAA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCc1nc(-c2ccncc2)no1 225461379 VWJNYOUKCIMRKN-HOCLYGCPSA-N 415.494 2.826 0 50 HFAA O=C(NCc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 238937420 VFOUTCZPDSNTBM-JCNLHEQBSA-N 405.495 2.622 0 50 HFAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@H]34)[C@H]2C(=O)N1C1CCCCC1 239347102 MCOZDZJHNKOQRG-XETNVZRVSA-N 410.514 2.670 0 50 HFAA COc1ccc(-c2ccc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)c(F)c2)cc1 753293783 PWLCIMLEUAKQOR-MRXNPFEDSA-N 406.479 2.655 0 50 HFAA C[C@@H](C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)N(c1ccccc1)S(C)(=O)=O 1506403527 CDYIRSUVDKVERR-ZDUSSCGKSA-N 404.467 2.515 0 50 HFAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)c2c(O)nc(=O)n(C)c2n1 1506422400 AREYKUBKOXLZEO-MRXNPFEDSA-N 422.485 2.676 0 50 HFAA Cn1ccc2ccc(C(=O)N3CCCN(C(=O)c4cnc(C5CC5)nc4)CC3)cc21 1704304427 FIQUQWJFWMTISM-UHFFFAOYSA-N 403.486 2.834 0 50 HFAA C/C=C/C=C/C(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)cc1 1875255256 UPHDCFAVYCTXPR-KZPSKGCLSA-N 420.469 2.764 0 50 HFAA Cc1ccc(NS(=O)(=O)CCNC(=O)N=c2ccn(C3CCCCC3)[nH]2)cc1F 2325749862 GIAOFIBTORMIAI-UHFFFAOYSA-N 423.514 2.821 0 50 HFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 1079173 BNMVJPMJDISEMI-UHFFFAOYSA-N 422.934 2.990 0 50 HFAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)c(C)c1 1110151 BCKSGXNQWDQPEU-UHFFFAOYSA-N 401.532 2.724 0 50 HFAA O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 1155654 OGIGPDKNNDYBKK-UHFFFAOYSA-N 423.437 2.792 0 50 HFAA COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)c1 4969418 TTZHPXOENZHISY-UHFFFAOYSA-N 416.434 2.878 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)CC1 11814282 LCKFFERAUQANNC-NRFANRHFSA-N 400.567 2.546 0 50 HFAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 11841120 WTVNCVXYBAAVAS-QHCPKHFHSA-N 413.518 2.837 0 50 HFAA Cc1cc(C)n(CCC(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](OCC3CC3)C2)n1 14531562 FWHRTPAAQGFEIJ-QFIPXVFZSA-N 424.545 2.556 0 50 HFAA COCCCN1C(=O)C[C@](CC(=O)NCc2ccccc2F)(c2ccccc2)C1=O 14878732 KHWZADZLPBCONA-HSZRJFAPSA-N 412.461 2.565 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1cccc(C)c1 14973035 CTLWNLDTKHEMPT-UNMCSNQZSA-N 418.497 2.727 0 50 HFAA COC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 17082648 CHJDTDZDRVWYCF-ZDUSSCGKSA-N 403.456 2.847 0 50 HFAA Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)ccc12 20718062 KXRNPWQFQBVVOA-FQEVSTJZSA-N 408.498 2.659 0 50 HFAA Cc1cc(-c2cnc(S(C)(=O)=O)nc2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)on1 21982190 IKUAWEWJJXKPKQ-CYBMUJFWSA-N 422.507 2.958 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)cc(OC)c1 23373491 NWJKEFRNNQJQBY-QFIPXVFZSA-N 412.530 2.975 0 50 HFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CSc3ncccn3)C2)CC1 55073899 UFOJBGSFYJJNQG-LJQANCHMSA-N 411.575 2.690 0 50 HFAA Cc1cccnc1CNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 91656534 HVVSGCAAAPGVAX-OAQYLSRUSA-N 407.562 2.778 0 50 HFAA CCc1noc(CN(C)Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)n1 95530442 MTSYBWYTDZCMKE-LJQANCHMSA-N 402.539 2.880 0 50 HFAA COC(=O)[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1c(C)cccc1C 170597952 VOVJFKARAKOUSG-FQEVSTJZSA-N 409.417 2.633 0 50 HFAA CCc1nc(C2CCN(C(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)n[nH]1 170611606 IXZFHWIMUOBINX-SFHVURJKSA-N 401.486 2.667 0 50 HFAA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]2CC[C@H]1O2 239235938 XAHTVKKXHADIMC-YSFYHYPLSA-N 420.509 2.798 0 50 HFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccsc2)no1 263618405 SWCXTCAOAWQRFP-UHFFFAOYSA-N 423.429 2.954 0 50 HFAA O=C(Cn1ccc2ccccc2c1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 468437051 IPUPSJDVNHQZNO-CQSZACIVSA-N 413.836 2.716 0 50 HFAA CCCn1cc(S(=O)(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)cn1 1704344166 OTFYHWIVFLCVGC-UHFFFAOYSA-N 405.520 2.554 0 50 HFAA O=C1CC[C@H](N2Cc3c(cccc3-c3ccc(N4CCCCC4=O)cc3)C2=O)C(=O)N1 1875356579 QYCQSSPTVFUQQL-FQEVSTJZSA-N 417.465 2.632 0 50 HFAA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cnc(-c3ccccc3)o2)CC1 2325820029 YHDUZTLMGXHSJD-UHFFFAOYSA-N 415.446 2.627 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1 2356142475 TVWHHPTUSDKSQD-UHFFFAOYSA-N 419.481 2.878 0 50 HFAA CCOc1ccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1 2356165640 MFOBQLFCCAGLGY-DNVFCKCGSA-N 400.519 2.986 0 50 HFAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCc2cccs2)cc1 2856117 QPALEFNHSMWBHV-UHFFFAOYSA-N 405.530 2.826 0 50 HFAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 2996235 UHCSTXGMCBBPPP-UHFFFAOYSA-N 417.443 2.810 0 50 HFAA CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)c2ccc(Cl)cc2)c1=O 9935506 RGFHTVOJQFDCJI-UHFFFAOYSA-N 402.834 2.737 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCC(O)CC1 11947200 PLMCHJBLKJXHFL-UHFFFAOYSA-N 406.530 2.832 0 50 HFAA O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944753 JBLPWVHTQASWIE-MRXNPFEDSA-N 413.909 2.615 0 50 HFAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 14747310 KUALRPHQLITMEJ-UHFFFAOYSA-N 414.531 2.685 0 50 HFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCCN3C)CN(CC(C)C)C2)cn1 14753230 JBJPZUCCBGAGMR-BHDDXSALSA-N 416.610 2.963 0 50 HFAA CCC(=O)Nc1cc(CNC(=O)c2cc(OC)cc(OC)c2)cc(C(=O)OC)c1 14878561 JFASMMWUZXUXAM-UHFFFAOYSA-N 400.431 2.769 0 50 HFAA COCCN(Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC)C(C)C 20453033 FLDDEHLZRBOAGY-UHFFFAOYSA-N 415.600 2.883 0 50 HFAA C[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1)n1cccc1 77392286 ZCWWDEDLCADOCH-INIZCTEOSA-N 410.499 2.830 0 50 HFAA Cc1cc(CNC(=O)[C@@H]2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)on1 91690019 VKXPEKDDCPOGMI-OAQYLSRUSA-N 422.573 2.943 0 50 HFAA COc1ccc(CNC(=O)CN2CCCN(c3ccc(F)cc3)CC2)cc1OC 261372563 QIYUALBCHOXHOT-UHFFFAOYSA-N 401.482 2.671 0 50 HFAA COCCn1ccc2c(OCC(=O)Nc3cccc(-n4nnnc4C)c3)cccc21 263587051 BLSATVJSYDMCAC-UHFFFAOYSA-N 406.446 2.589 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(OC)cc4OC)c3CO2)cc1 263617934 QMKRAOPHMDDGNC-HXUWFJFHSA-N 424.457 2.505 0 50 HFAA Cc1cnccc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299769656 OZUUWABGEKVUHB-JOCHJYFZSA-N 413.493 2.800 0 50 HFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H]3C(=O)Nc4c(F)cccc43)C2)n1 1291767206 SYKUBIVOZNCCLG-GDBMZVCRSA-N 410.449 2.832 0 50 HFAA Cc1nc(-c2ccc(C(=O)N3CCC4(CC3)NCC(C)(C)CNC4=O)s2)cs1 1772814281 QXQSIYPZUMIXGX-UHFFFAOYSA-N 418.588 2.900 0 50 HFAA COCc1cc(CNC(=O)C[C@@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)[nH]n1 1857707898 OTGLHDDHYKQWFD-AWEZNQCLSA-N 413.478 2.629 0 50 HFAA CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)Nc1c[nH]nc1-c1nccs1)CC2 1875252764 MFLVOQFKFVGIEG-UHFFFAOYSA-N 417.516 2.569 0 50 HFAA Cc1ccc(C(=O)N2CCN(C(=O)C[C@H](Cc3ccccc3)C(=O)O)CC2)cc1F 1875318743 UYSSMSSJRIBYPD-IBGZPJMESA-N 412.461 2.752 0 50 HFAA C=CC(=O)N1CCCc2cc(C(=O)O[C@H]3CCCN(CC(F)(F)F)C3=O)ccc21 1875371888 OXPMDRBEMASWNH-INIZCTEOSA-N 410.392 2.862 0 50 HFAA NC(=O)CN(Cc1cccc(CN(CC(N)=O)c2ccccc2)c1)c1ccccc1 2325714032 BNALGEFXJNZGKY-UHFFFAOYSA-N 402.498 2.670 0 50 HFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ncn2ccccc12 2325815449 ZMJHAIIJMCYWGX-UHFFFAOYSA-N 414.487 2.770 0 50 HFAA CO[C@H]1CC[C@H](C)N(c2nnc(-c3cc(F)ccc3C)n2CCC(=O)N(C)C)C1 2325840011 LQAPZCKKZNDGFG-RDJZCZTQSA-N 403.502 2.875 0 50 HFAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(SC)cc3)C2)CCC1=O 2325864493 QCRNWIWWWJLNDT-ROUUACIJSA-N 417.575 2.778 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(F)c1 2356137015 OLFSZKBMRJBBIB-HXUWFJFHSA-N 404.511 2.659 0 50 HFAA CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1 667793 VAKXMMLKSJDBMY-UHFFFAOYSA-N 400.460 2.965 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 893154 WQMUSBFVMZDLET-UHFFFAOYSA-N 418.877 2.721 0 50 HFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c1 921351 ZVFKOTDNFKCGQE-JTDSTZFVSA-N 424.375 2.808 0 50 HFAA Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 1058218 LSXRSMJPZGOGOT-UHFFFAOYSA-N 408.549 2.901 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1C 4413924 DKDYROQNGJFIMC-UHFFFAOYSA-N 417.531 2.506 0 50 HFAA COc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 4970373 BVAXTGXUBOQAHM-UHFFFAOYSA-N 416.546 2.732 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)CC1 6395738 ZMWPXANMZDQJJE-ROUUACIJSA-N 406.504 2.713 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNC3CCCCC3)c2)CC1 11662898 XKTCQFUAMQDKMH-OAQYLSRUSA-N 404.551 2.734 0 50 HFAA CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccn(C)n3)ccc21 12159576 JFWKEZICGYLNKD-INIZCTEOSA-N 404.492 2.654 0 50 HFAA CC[C@H](COC)NC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 12331709 IXWRDGIDRXFRHN-CYBMUJFWSA-N 401.492 2.692 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCCN2CCCC2=O)C1 12590159 SOBAZINQQHCYDP-HSZRJFAPSA-N 418.509 2.943 0 50 HFAA Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 170594031 CEHZRJBIQMUQIY-NSHDSACASA-N 411.789 2.812 0 50 HFAA COc1ccc(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1F 170595317 DUCXXXHGEPUBPM-OAHLLOKOSA-N 409.458 2.679 0 50 HFAA CN(C)CCCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(c1ccccc1)c1ccccc1 475594073 XQAUFWWRWJRHKR-RTWAWAEBSA-N 409.530 2.589 0 50 HFAA CN1CCCN(c2ccc(NC(=O)c3cc(N4CCNC4=O)ccc3F)cc2)CC1 737805315 YAFZUQWDEVUCRL-UHFFFAOYSA-N 411.481 2.750 0 50 HFAA CCC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C)c2)c(C)c1 952976798 IBYXUKFVSVXINW-OAQYLSRUSA-N 422.529 2.981 0 50 HFAA O=C(c1cccs1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676909 ZFNQZFREYMISNV-GOSISDBHSA-N 418.490 2.798 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]21 1857728617 JLNUTFJZOWKSOT-WBFDFMGXSA-N 401.894 2.781 0 50 HFAA CCCn1nc(-c2ccccn2)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100477064 BAYKYXYKBBGTKZ-UXHICEINSA-N 423.473 2.696 0 50 HFAA Cc1nc2sccn2c1C(=O)N1CCCCNC(=O)C[C@H]2CCCCN2CCC1 2100534184 XKBVPAOLWHTKGI-QGZVFWFLSA-N 417.579 2.691 0 50 HFAA Cn1cnc2cc(Cc3nc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)no3)ccc21 2325849884 DFZHNOOPFQZHEV-UHFFFAOYSA-N 423.498 2.999 0 50 HFAA Cc1cc2c(cc1C(=O)N1CCC[C@@]3(CCc4cnc(N(C)C)nc43)C1)OCCO2 2356158024 BARDYAIRBGGXFB-HSZRJFAPSA-N 408.502 2.742 0 50 HFAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 904164 UDAJXXIKAHFTEO-UHFFFAOYSA-N 401.444 2.974 0 50 HFAA CCNC(=O)C[C@@H]1C(=O)N(Cc2cccs2)C(=S)N1Cc1ccc(OC)cc1 1068662 PBBSDTTXZIMAQZ-QGZVFWFLSA-N 417.556 2.781 0 50 HFAA COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 3612281 IFAWCODLZUUUSK-SFHVURJKSA-N 407.348 2.748 0 50 HFAA COc1cc(C[C@]2(CCC(=O)NCCc3cscn3)CCC(=O)N2)ccc1F 11783088 CXIISPLGQDNPDR-FQEVSTJZSA-N 405.495 2.621 0 50 HFAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCCc3cccs3)CC2)cc1 11912606 GLDJRLCTDSDCIM-UHFFFAOYSA-N 408.593 2.768 0 50 HFAA CCc1nc2cc(N)cc(C(=O)NC[C@@H]3COc4ccccc4O3)c2n1CCCOC 12241909 ZOZRXADBVFXFDG-MRXNPFEDSA-N 424.501 2.787 0 50 HFAA Cc1nonc1CNC(=O)c1c(CC2CCCC2)n(Cc2cccnc2)c(C)cc1=O 12248178 LYEVHZFLLPZMQV-UHFFFAOYSA-N 421.501 2.954 0 50 HFAA CC(C)c1nc(CNCc2cccc(OC[C@@H](O)CN3CCC(O)CC3)c2)cs1 12458465 XBCYTSRQADKUCZ-FQEVSTJZSA-N 419.591 2.753 0 50 HFAA Cc1n[nH]c(O)c1[C@H](c1cc2c(cc1Br)OCO2)c1c(O)n[nH]c1C 19597755 VAQGYTNSZGEDEN-UHFFFAOYSA-N 407.224 2.832 0 50 HFAA CCCCn1c(CN2CCN(C(C)=O)CC2)cnc1S(=O)(=O)CCCC(C)C 23338590 INZAINHCSTVSCP-UHFFFAOYSA-N 412.600 2.557 0 50 HFAA COc1cc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cc(OC)c1OC 23375565 RGJNRJGFKJXPMX-KRWDZBQOSA-N 406.548 2.843 0 50 HFAA CN(Cc1ccncn1)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71419234 PJZDLIXIEOMWPF-DEOSSOPVSA-N 400.482 2.982 0 50 HFAA Cc1nc(N2CCC(NC(=O)c3n[nH]c4c3CCCC4)CC2)cc(C(F)(F)F)n1 169772448 NSIFHSYWMUGCOX-UHFFFAOYSA-N 408.428 2.805 0 50 HFAA O=C(N[C@H](CO)Cc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 252511150 ZVCAJVWHOLPELO-INIZCTEOSA-N 422.934 2.603 0 50 HFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(N2CCNC2=O)cc1 485690601 CHXWXNFJJMNDMI-UHFFFAOYSA-N 421.375 2.962 0 50 HFAA C=CC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)ccc1F 758279967 CLFQCDQXHBXGRN-UHFFFAOYSA-N 407.423 2.580 0 50 HFAA O=C(CC1(n2cccc2)CCSCC1)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088910 XDBXYMJJYMDXLO-FHWLQOOXSA-N 401.576 2.960 0 50 HFAA Cc1cc(C)c(N2C[C@@H](C(=O)NCc3ccnc(-n4ccnc4)c3)CC2=O)c(C)c1 921205402 FEXGODQACVQDAZ-IBGZPJMESA-N 403.486 2.862 0 50 HFAA Cc1ccc(-c2nc(CN3CCCN(S(=O)(=O)N4CCCC4)CC3)c(C)o2)cc1 1506412236 AWDMJOIGZUMEEV-UHFFFAOYSA-N 418.563 2.807 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 1857726941 IHTDRDGEIDPEGN-OAHLLOKOSA-N 411.462 2.615 0 50 HFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857727322 PVZBQZSGUOYEGF-IMSXRSKXSA-N 414.465 2.991 0 50 HFAA CC(C)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccnn2C(C)C)n[nH]1 1875327260 RUUHJFACRBZZCS-CVEARBPZSA-N 400.527 2.981 0 50 HFAA Cc1ccoc1C(=O)N1CCC[C@@]1(Cc1cn(CC2CC(F)(F)C2)nn1)C(=O)O 1875356032 RLXKSKCYXPUYIC-GOSISDBHSA-N 408.405 2.527 0 50 HFAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCOC2 1875383404 SFPMGETZCCVDNC-UGKGYDQZSA-N 422.529 2.569 0 50 HFAA N=c1nc(Cn2c(-c3ccccc3Cl)noc2=O)nc(Nc2ccc(F)cc2)[nH]1 1875391597 GYPIKZJSYMRZRB-UHFFFAOYSA-N 413.800 2.685 0 50 HFAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCC(OCc4ccccc4)CC3)C2)cc1 11816323 GBIOCLKNJHTSQZ-GOTSBHOMSA-N 410.514 2.562 0 50 HFAA CC[C@@H](C)CC(=O)N1CCc2c(cnc(C)c2CNC(=O)CN2CCCCC2)C1 11965484 OEBUIDAYBRMLLK-QGZVFWFLSA-N 400.567 2.813 0 50 HFAA COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1F 12020627 IMBZQGWCRBOMEB-AWEZNQCLSA-N 413.453 2.568 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3csnn3)C2)cc(OC)c1 12050703 OWXLWOZGWQDAOZ-ZDUSSCGKSA-N 404.492 2.826 0 50 HFAA O=C(CN1C(=O)CSC1=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 12076606 BZZMJLLBHFUUKE-NRFANRHFSA-N 407.580 2.967 0 50 HFAA Cc1cnc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)cn1 14534352 HTIGNEWBAXXTFN-NRFANRHFSA-N 422.529 2.988 0 50 HFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)Cn1cccn1 14974629 AMUQTCUVPJICNI-UHFFFAOYSA-N 423.605 2.543 0 50 HFAA Cc1c[nH]c(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)n1 15080411 SMNAXMLCXGSDKS-OAQYLSRUSA-N 409.578 2.753 0 50 HFAA CCOc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@@H]2CCO)cc1 20453744 QUGWVBLHJWELDV-NRFANRHFSA-N 421.545 2.735 0 50 HFAA CC(C)Cn1c(CN2CC[C@H](N(C)C)C2)cnc1S(=O)(=O)Cc1ccccc1 22914015 NYGZQTCOECRYMV-IBGZPJMESA-N 404.580 2.649 0 50 HFAA COCCCn1c(CN(C)[C@H](C)c2ccncn2)cnc1S(=O)(=O)C1CCCC1 55358559 ANFAWXFIEXZOKH-MRXNPFEDSA-N 421.567 2.619 0 50 HFAA Nc1nc(C(=O)N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n[nH]1 67881194 WXXVYUGYZUTOBG-UHFFFAOYSA-N 400.442 2.754 0 50 HFAA O=C1[C@@H]2[C@@H](C(=O)N3CCC[C@H]3c3ccccc3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77555609 REHVRXLSGXYQAP-XHVFSLISSA-N 415.493 2.727 0 50 HFAA COc1ccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c(C)c1 169777439 DPFOOIJVQJPNSM-UHFFFAOYSA-N 408.462 3.000 0 50 HFAA CCOC(=O)[C@@H](Cc1ccc(C)cc1)NC(=O)CC1(N2CCOCC2)CCCC1 225483215 VIMCKSCXDUMORR-HXUWFJFHSA-N 402.535 2.621 0 50 HFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3ccccc3OC)CC2)nn1 244742217 ODURDNRCRRPTOE-HDICACEKSA-N 413.522 2.611 0 50 HFAA CC(C)Cn1c([C@H]2CCCN2C(=O)CCNC(=O)c2cnccn2)nc2ccccc21 252507807 WUEIVRMAGGZMOI-HXUWFJFHSA-N 420.517 2.966 0 50 HFAA O=C(Cc1cccs1)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 334158222 YTNHAUYYNIYYAR-HNNXBMFYSA-N 401.513 2.574 0 50 HFAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1ncnn1CC(F)F 488314387 YLMPVFCTXQMLOT-SFHVURJKSA-N 416.476 2.978 0 50 HFAA CN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1506424809 CKNXTGGMVMQJCD-CQSZACIVSA-N 401.898 2.795 0 50 HFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccncc3)no2)C1 1506425953 HTBHFYZXKVHCSY-KRWDZBQOSA-N 405.458 2.971 0 50 HFAA O=C1CCCN1CCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303448 ZDTOUIGBSQOAAA-DEOSSOPVSA-N 404.514 2.963 0 50 HFAA CC(C)c1nc(CN2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@]3(CO)C2)co1 1772807177 QGJLGJJNQCOKLX-UGSOOPFHSA-N 411.428 2.538 0 50 HFAA Cc1cccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1F 1857724572 IDYILZCGMOMTFS-FPOVZHCZSA-N 400.498 2.936 0 50 HFAA C[C@@]1(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)Cc2ccccc2C(=O)O1 1875257095 XEQRWMNHJNNNSG-BWKNWUBXSA-N 418.493 2.734 0 50 HFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)ccc2N1 1875262159 ZDGDCELHKHJEAP-OFNKIYASSA-N 412.461 2.644 0 50 HFAA O=C(O)c1cncc(-n2cc([C@@H]3CCC[C@H](CNC(=O)c4cncc(F)c4)C3)nn2)c1 1875324754 LRRHZXTVJFTETM-UONOGXRCSA-N 424.436 2.598 0 50 HFAA Cc1ccoc1C(=O)N1CCC[C@]1(Cc1cn(CC2CC(F)(F)C2)nn1)C(=O)O 1875356033 RLXKSKCYXPUYIC-SFHVURJKSA-N 408.405 2.527 0 50 HFAA O=C(CSc1nsc(SCC(=O)N2CCCCC2)n1)N1CCCCC1 626267 YTCMTIFALGPSKZ-UHFFFAOYSA-N 400.595 2.747 0 50 HFAA CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 826756 ATCGVDYFJKGFLS-UHFFFAOYSA-N 422.890 2.816 0 50 HFAA CN1C(=O)c2ccc(NC(=O)c3ccccc3I)cc2C1=O 947124 OMMCYIYEERSPIY-UHFFFAOYSA-N 406.179 2.769 0 50 HFAA CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 2135358 COGNNOUZZOSCJH-UHFFFAOYSA-N 404.488 2.789 0 50 HFAA COc1ccc(OC)c(CCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)c1 8596853 PBQLYLZXFGLKFN-UHFFFAOYSA-N 413.474 2.944 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(OC)c2)CC1 9196651 QIMLNYSGMRARQR-UHFFFAOYSA-N 411.458 2.862 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)c2cn(C)nc2C)c1 11814217 DSFFLAIXUFEILY-CQSZACIVSA-N 414.506 2.618 0 50 HFAA O=C1CCCN1CC1CCN(C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 12074386 KSXNINPOXSPBAU-FQEVSTJZSA-N 403.567 2.666 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1F 19943082 MHMVDVWNPBIKFP-UHFFFAOYSA-N 413.906 2.654 0 50 HFAA O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCc2c(Cl)cccc2C1 20515199 CKORUXPRTVZTDD-JOCHJYFZSA-N 423.944 2.583 0 50 HFAA CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccc(F)cc1F 64131498 VMEBJAPEADJESM-MJGOQNOKSA-N 420.529 2.773 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccon3)[C@@H]4C2=O)cc1 77503451 HHKLBZYFSANODB-GJPOJAMWSA-N 407.470 2.743 0 50 HFAA CCc1noc(-c2ccn3c(CNC(=O)CCc4ccc(OC)cc4)nnc3c2)n1 169780450 JHKVFNMZDPUKDI-UHFFFAOYSA-N 406.446 2.599 0 50 HFAA COCN1C(=O)CCc2cc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc21 170603873 BHJKZAPTZVZOOT-UHFFFAOYSA-N 414.458 2.777 0 50 HFAA Cc1cc(Br)ccc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 257173925 AKUQMCLCZAAXIO-HNNXBMFYSA-N 402.248 2.837 0 50 HFAA O=C1NCCN1c1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccncc3)no2)c1 1506407500 WPLMGPOUSVVWNG-KRWDZBQOSA-N 404.430 2.639 0 50 HFAA CN1CCN(C[C@H]2CCCN(c3cc(Sc4cccs4)nc(N)n3)C2)CC1 1772701463 ORKRZZKNMKNKEK-OAHLLOKOSA-N 404.609 2.735 0 50 HFAA Cc1ccsc1CN1C[C@@H]2COC[C@]2(C(=O)N2CCC(c3cc[nH]n3)CC2)C1 1857687747 CNWTXVFNJKTFHD-DYESRHJHSA-N 400.548 2.634 0 50 HFAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4[nH]nc(C5CC5)c4CC3)cc2n1 1857699929 DRMBLAKGIJOLCX-UHFFFAOYSA-N 404.396 2.898 0 50 HFAA CC(C)(C)N1C[C@@H](C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)CC1=O 1857723944 DNUPHOUIMDUOTN-HNNXBMFYSA-N 412.534 2.513 0 50 HFAA CC1(c2cc(N3CCN(C(=O)c4ccc(N=c5cc[nH]cc5)cc4)CC3)n[nH]2)CC1 1875258354 DTCQTBRDJMOWJU-UHFFFAOYSA-N 402.502 2.984 0 50 HFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2 636838 BCOFMZUQNSWJEZ-UHFFFAOYSA-N 424.247 2.759 0 50 HFAA COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)Cn3cncn3)c2)c1 11753717 SWTYZSZAUKMJEA-OAQYLSRUSA-N 419.485 2.974 0 50 HFAA COC(=O)[C@@H]1CCCN1C(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12001034 JQYFZWWRPBVKJH-ZDUSSCGKSA-N 400.460 2.982 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)CC1 20351963 ZZETYFZXZHBUBY-NRFANRHFSA-N 411.550 2.919 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)s1 92061986 LUQMBYSWBGBTAG-INIZCTEOSA-N 404.532 2.975 0 50 HFAA C[C@@H](NC(=O)C1CCC1)C(=O)NCc1ccc(I)c(Cl)c1 225722652 JZSPCBYYBOCZRZ-SECBINFHSA-N 420.678 2.866 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 409414668 NYCIXQRVEYXLSB-LYHRCORUSA-N 413.518 2.779 0 50 HFAA COc1ncc(CN(C)[C@H]2CCCC[C@@H]2N(C)Cc2cnc(OC)nc2C)c(C)n1 499611032 NBCHMSNXFPUSSM-PMACEKPBSA-N 414.554 2.776 0 50 HFAA O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](O)c1ccc(Cl)cc1 813481254 CFTFFUJANWZTBZ-GOEBONIOSA-N 403.784 2.948 0 50 HFAA Cc1cccc(N(CC(=O)N2CCOc3ccc(Cl)cc3C2)S(C)(=O)=O)c1 1506410102 RUAQMMUUYVAVAW-UHFFFAOYSA-N 408.907 2.836 0 50 HFAA Cc1ccc(CN2C[C@@H]3CN(Cc4ccc5c(c4)OCCO5)C[C@]3(CO)C2)s1 1772810279 FOFGJLFFIFWLLV-PGRDOPGGSA-N 400.544 2.754 0 50 HFAA Cc1c(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)nnn1-c1ccc(F)c(Cl)c1 1775988946 SYRJEDLUWHXXCL-IEBWSBKVSA-N 421.904 2.727 0 50 HFAA CNC(=O)CCCn1cc(-n2ccnc2-c2cc3ccc(OC)cc3nc2O)cn1 1857688199 XCUKPSPGWQAVDW-UHFFFAOYSA-N 406.446 2.524 0 50 HFAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cn(C)c3ccccc23)cc1OC 1857717336 KZUHODAABNAPCF-VXKWHMMOSA-N 410.470 2.770 0 50 HFAA CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 1875260307 GJZGTYNTRZYHJA-IBGZPJMESA-N 406.935 2.645 0 50 HFAA Cc1cc(=O)c(C(=O)Nc2cccc3c2CCNC3=O)nn1-c1ccccc1Cl 1875337386 YQPVFSSSPSCFPD-UHFFFAOYSA-N 408.845 2.733 0 50 HFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1cc3c(s1)C1(CCNCC1)OCC3)CCC2 2356145934 YAMYACYGZRUBNN-HNNXBMFYSA-N 400.548 2.749 0 50 HFAA O[C@@H]1CN(CCn2cc(Cl)cn2)C[C@]12[C@H](c1ccccc1)[C@H]2CN1CCCC1 2356148918 ZYLJWKICTJCBAG-GXRSIYKFSA-N 400.954 2.709 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 1138433 JSWVLIYPKRANSM-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(O)cc2)NC(=O)N3C)cc1 6668390 RXFHATVALCQDFV-LJQANCHMSA-N 407.426 2.566 0 50 HFAA COc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1F 11818231 DZTZDNKEAHCDMI-LJQANCHMSA-N 410.453 2.803 0 50 HFAA COc1ccc(CNCCc2cccc(C)n2)cc1OC[C@@H](O)CN1CCCCC1 11821900 NAMGRNWVJFIZCH-QFIPXVFZSA-N 413.562 2.957 0 50 HFAA COC(=O)CCNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 14964247 KFLXPZUDURXEAH-UHFFFAOYSA-N 404.507 2.774 0 50 HFAA Cc1ccc(NCc2ccc(C(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)cc2)cc1 65526067 ULDFJLBOKQMERM-GOTSBHOMSA-N 409.530 2.515 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccoc3)[C@@H]4C2=O)cc1C 77285262 ICYWYEJURZRFOT-BLRYILKCSA-N 406.482 2.837 0 50 HFAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCN(C(=O)C2CC2)C1 225446963 XJGKFGBBUBQQJU-GREBRCKQSA-N 402.510 2.664 0 50 HFAA CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1ccc(N2CCOCC2)c(F)c1 241776836 RTBRDXJQHHNWOX-UHFFFAOYSA-N 405.514 2.916 0 50 HFAA CC(=O)N1CCCN(C(=O)Cc2ccsc2)CCNC(=O)C[C@H]1c1ccccc1 952862025 FILFWHHFFMDZBL-FQEVSTJZSA-N 413.543 2.619 0 50 HFAA CS(=O)(=O)c1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)cc1 952973354 SJYUJIMRULLILQ-UHFFFAOYSA-N 400.460 2.525 0 50 HFAA O=C(C[C@@H]1Cn2nc(-c3ccncc3)nc2NC1=O)Nc1ccc(F)c(Cl)c1 1848442429 MIFSLLNHIJXQTC-LLVKDONJSA-N 400.801 2.730 0 50 HFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cn4)[C@H](C)C3)o2)c1C 1857673151 NOJVLKKXBBQORS-GFCCVEGCSA-N 419.482 2.720 0 50 HFAA Cc1nc2cnn(C)c2cc1-c1nc(-c2cnn(CCO)c2)nn1C1CCCCC1 2325872569 DQDOIWUCPOIBGR-UHFFFAOYSA-N 406.494 2.896 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 817301 NNTGIKMHGXQOLA-UHFFFAOYSA-N 420.487 2.667 0 50 HFAA O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NN1CCOCC1 901615 PJXFVAPLCFMGQQ-UHFFFAOYSA-N 404.439 2.679 0 50 HFAA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 1177105 GOKAQAZTWIZJLG-QGZVFWFLSA-N 422.437 2.891 0 50 HFAA COCCNC(=O)c1ccccc1NC(=O)c1ccc(I)cc1 2873893 ONBOLSPTOCNBRO-UHFFFAOYSA-N 424.238 2.920 0 50 HFAA COc1ccc(OC)c([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 4165263 RZVRXVPPMPEEBJ-QGZVFWFLSA-N 420.487 2.832 0 50 HFAA COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C(=O)N1CCOCC1 9526112 VNEGMBJMNOTFOT-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA Cc1cccnc1CCNCc1ccccc1OC[C@@H](O)CN1CCSCC1 12303986 JETXOACCLCRUDF-FQEVSTJZSA-N 401.576 2.511 0 50 HFAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 19741066 NHKRLBWZHJZZIL-LJQANCHMSA-N 419.529 2.901 0 50 HFAA O=C(COc1ccc(-c2cnccn2)cc1CN1CCOCC1)N1CCCCCC1 19836480 VTRPCAQIFIKHBK-UHFFFAOYSA-N 410.518 2.757 0 50 HFAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 72446830 JDSGVLOPMMJBTD-UHFFFAOYSA-N 418.501 2.821 0 50 HFAA CC(C)c1nc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 82108737 PVNNCNLKOCZSJN-KRWDZBQOSA-N 412.538 2.585 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)s1 92061987 LUQMBYSWBGBTAG-MRXNPFEDSA-N 404.532 2.975 0 50 HFAA CN(C(=O)CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1 169757853 SFQWBXCTCBSTBY-LJQANCHMSA-N 411.845 2.880 0 50 HFAA COc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC2(C)C)cc(OC)c1OC 169775268 DIFXWFGUIUGTRA-UHFFFAOYSA-N 411.458 2.719 0 50 HFAA Cc1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169777959 DGVOLKPGQIXLAU-LBPRGKRZSA-N 408.340 2.622 0 50 HFAA CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc2cccc(C)c2n1C 434350323 RIKPQCMTUVNCNI-IBGZPJMESA-N 424.570 2.979 0 50 HFAA CCO[C@H]1C[C@](O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C 481110407 NRVFLAUSOZIHTJ-KSSFIOAISA-N 413.305 2.870 0 50 HFAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 776567545 IAILYIKUGVOAMN-AWEZNQCLSA-N 418.544 2.785 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cncc(OCCCO)n1)CC2 952887541 RFUJBBHUIFDNLB-SFHVURJKSA-N 416.547 2.707 0 50 HFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)NCc2ccc(O)nn2)C1 952893727 OELZCZXMLVVFTJ-UHFFFAOYSA-N 410.453 2.801 0 50 HFAA O=C(c1ccc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)nc1)N1CCCC1 1704302119 DEWTUYBIMDWQRZ-DENIHFKCSA-N 402.498 2.906 0 50 HFAA COc1cc(-c2onc(NC[C@@H](O)CN3CCCCCC3)c2C(=O)O)ccc1F 1704325781 QXMUWWXXSCETES-CQSZACIVSA-N 407.442 2.836 0 50 HFAA Cc1nc2ccc(CC(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cc2[nH]1 1857717437 SCPSUSKHJKSALF-LGVFNWMJSA-N 416.481 2.715 0 50 HFAA COc1cc(C)c(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1C 1857721426 OHAINPYNJUVRFM-QYZOEREBSA-N 412.534 2.668 0 50 HFAA CN(C(=O)CCNC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccccc1 1875261570 RWFRJAHVYFOBHT-QGZVFWFLSA-N 403.276 2.922 0 50 HFAA COCC1(NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCCC1 1875301681 PHDHTIYCMPNCHF-HNNXBMFYSA-N 415.412 2.949 0 50 HFAA O=C(COc1ccccc1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCCC1 2100544741 HPZIAASSDOEHIY-WMMXXEOUSA-N 406.526 2.764 0 50 HFAA O=C(COc1ccc2oc3ccccc3c2c1)N[C@@H](C(=O)O)[C@@H](O)c1cccnc1 2325861516 SCZFQABNNPXWMX-RTWAWAEBSA-N 406.394 2.663 0 50 HFAA CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O 824408 ILUXQMCHWTVZNJ-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(-c4ccc(F)cc4)cn23)n(C)c1=O 1070893 DDYLDBGFBGORQY-UHFFFAOYSA-N 417.444 2.735 0 50 HFAA CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)C(=O)O 2735887 VWMBWCXLFRQHFT-HWQJWEFDSA-N 410.451 2.708 0 50 HFAA COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2)cc1 2838274 KSKYIHROUZYKDI-UHFFFAOYSA-N 410.499 2.894 0 50 HFAA CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N[C@]1(O)C(F)(F)F 4183826 QHWQRSRLVPZOAH-GMOODISLSA-N 401.168 2.778 0 50 HFAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1 10327472 ZBILBKZNOOMXBK-UHFFFAOYSA-N 412.490 2.736 0 50 HFAA O=C(NCCc1cn[nH]c1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11815908 ZDPRDSMVKAZYQT-IBGZPJMESA-N 416.529 2.931 0 50 HFAA COc1cccc(CN2CCC[C@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)c1 12022984 GPYFFQRTUYQLQU-FQEVSTJZSA-N 407.514 2.822 0 50 HFAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 12307709 IXYCTTQMRAJJSF-NRFANRHFSA-N 409.486 2.560 0 50 HFAA O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12316447 GOTJNALRHRLTMR-HNNXBMFYSA-N 400.910 2.649 0 50 HFAA COc1ccccc1NC(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 13009188 HVTYWAXKKRDUJT-UHFFFAOYSA-N 407.478 2.642 0 50 HFAA CC(C)CN1C[C@@H](C(=O)N2CC[C@H](N(C)C)C2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14540772 WMCFMOFFBPQMAR-LQWHRVPQSA-N 418.557 2.521 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3cc(C)ccc3C)C[C@H]2C(=O)NCC)CC1 20455695 QVGBQBPLHGXINY-GGAORHGYSA-N 400.611 2.846 0 50 HFAA CC[C@@H](COC)NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 20781654 YKAQVUZZNRSSEC-FQEVSTJZSA-N 402.583 2.608 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@H]1CCCN12 249691990 MEEKKTRFOXYBCC-XUJKJYMVSA-N 419.456 2.671 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1S(=O)(=O)NC(C)C 253372359 FAVYGRFALVFNGT-MDMSPXHWSA-N 406.548 2.936 0 50 HFAA COc1ccccc1-c1cccc(C(=O)N2CCn3nc(CNC(C)=O)cc3C2)c1 426701319 AAVTYBWDKUFJGO-UHFFFAOYSA-N 404.470 2.851 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)ccc1F 812740014 KNWPTCUBVDRYIS-UHFFFAOYSA-N 402.451 2.789 0 50 HFAA O=C(c1ccccc1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857681053 WFSXGKIZFIENMO-NRFANRHFSA-N 412.461 2.737 0 50 HFAA CN(C(=O)CCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)C1CCCCC1 1857718916 ZRUDAHWBXNYSLX-ILWGZMRPSA-N 413.562 2.888 0 50 HFAA Cc1cc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc2sc(=N)[nH]c12 1875249209 KZCKCTSJWPKXBK-QZTJIDSGSA-N 408.527 2.915 0 50 HFAA CC(C)(C)c1n[nH]c(COC(=O)c2cn(-c3cccc(Br)c3)nn2)n1 2325718820 ZWSRDBJDKIRPHX-UHFFFAOYSA-N 405.256 2.802 0 50 HFAA CCc1[nH]nc(C(=O)NC2(C)CCN(C(=O)c3ccnc(N(C)C)c3)CC2)c1Cl 2325824566 GRUBUXDXMNHYNU-UHFFFAOYSA-N 418.929 2.511 0 50 HFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)C1 2325889479 SIBDPTRJYXFNJW-MRXNPFEDSA-N 401.532 2.547 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncn4C)C3)[C@@H]3CCCCN23)c1 2356159771 PZIRNQQKPSYKEY-WAGURGNTSA-N 408.546 2.986 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 1049372 HYEDQHMLMRQNIO-LBPRGKRZSA-N 410.879 2.920 0 50 HFAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1 1305382 ZLHWFOFDJUOUMH-UHFFFAOYSA-N 409.469 2.667 0 50 HFAA Cc1csc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2C)n1 2869481 JRTLMBDJHSHVER-UHFFFAOYSA-N 416.532 2.800 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1 4784636 QIDZCNNPVUBOFK-QIPRVMPFSA-N 410.520 2.860 0 50 HFAA O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12314911 CRJKAJVGRLIXID-SFHVURJKSA-N 422.485 2.704 0 50 HFAA Cn1nccc1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12432222 BBAKXYGKFROQMB-UHFFFAOYSA-N 422.489 2.502 0 50 HFAA Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)N(Cc2cccc(Cl)c2)C1 15000726 NJSCZSBWBYJTMO-MSOLQXFVSA-N 420.966 2.668 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC(F)(F)F 15065696 CQCJNOXKMQJNGX-IBGZPJMESA-N 419.447 2.688 0 50 HFAA C[C@@H](Cc1cccnc1)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 20205097 UKDJOMJHWHCTHT-FQEVSTJZSA-N 421.589 2.900 0 50 HFAA CC(C)N1CCN([C@@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)CC1 23232193 MFRFDQCIVOWSSY-HXUWFJFHSA-N 409.578 2.576 0 50 HFAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCOCC2)c1 41107869 MMGLZNFOAMTPLR-UHFFFAOYSA-N 424.906 2.930 0 50 HFAA Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NC[C@@H]3CCCO3)c12 64044076 ZRMDXAKTTGCIQB-HNNXBMFYSA-N 403.552 2.757 0 50 HFAA CCCCN1CCN([C@H](C(=O)N(C)C2CCSCC2)c2ccccc2)C(=O)C1=O 77301620 HRXCOWZTBYBTBG-IBGZPJMESA-N 417.575 2.553 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(F)cc1F 169755618 LSLAFKWNQJWMKS-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA COc1cc(OC)c(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1Cl 169762621 CTCKLZQWRNPEPQ-UHFFFAOYSA-N 416.865 2.684 0 50 HFAA CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[C@@H](C)C1 253417687 AJIWWRUQQILUDT-KRWDZBQOSA-N 401.532 2.962 0 50 HFAA CCOC(=O)c1cc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)ccc1F 728576828 FVZSAJCHUNFUIW-OAHLLOKOSA-N 400.497 2.645 0 50 HFAA Cc1nc(C(C)(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)no1 729826790 GEFABXLZZKNDCT-UHFFFAOYSA-N 414.915 2.725 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(COc3ccc(OC)cc3)CC2)cc1 1506400982 BBCQOJDUZACKGS-UHFFFAOYSA-N 418.515 2.535 0 50 HFAA Cc1cccc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCCC2)[C@@H]3O)n1 1772708534 DQGZHVIBOAIUHA-FCHUYYIVSA-N 401.551 2.571 0 50 HFAA O=C(O)CC[C@@]12CN(Cc3cccc(Cl)c3)C[C@H]1CN(C(=O)c1cc[nH]n1)C2 1772809158 NPKXZRHAQKVSHZ-YWZLYKJASA-N 402.882 2.502 0 50 HFAA O=S1(=O)N(Cc2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)CCCC12CC2 1875346133 ULPLDRUGAQRDFO-UHFFFAOYSA-N 418.450 2.913 0 50 HFAA Cc1conc1C(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2[nH]ncc12 1875360262 CXODPULTGYPRJI-QGZVFWFLSA-N 415.453 2.856 0 50 HFAA Cn1nc(COc2ccc(-c3cccnc3N3CCOCC3)cc2)c2c1CCNC2 1875387566 NSUCXTGCNXNCCI-UHFFFAOYSA-N 405.502 2.543 0 50 HFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)CC1=O 2325819652 MDIOXPIXZMZJCY-BPQIPLTHSA-N 401.507 2.722 0 50 HFAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccc(OC(C)C)c(OC)c2)C1=O 2356169247 XRMUAWSPIMHFTQ-QFIPXVFZSA-N 404.507 2.726 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 783943 QYXLIAXSJINTIV-INIZCTEOSA-N 402.516 2.973 0 50 HFAA COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1 894007 WESUFWMOOHOFTM-UHFFFAOYSA-N 400.456 2.800 0 50 HFAA CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1ccc(F)cc1 1068558 HAGMYIYXKZBRNN-INIZCTEOSA-N 404.419 2.706 0 50 HFAA COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)c1 1859430 FUSOVIGLWZNJRT-UHFFFAOYSA-N 406.232 2.614 0 50 HFAA Cc1ccc2nsnc2c1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 9184850 RGRSJUDQBXOCQG-UHFFFAOYSA-N 406.431 2.620 0 50 HFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)c1C 11937565 UZTRXWXTYVYGIC-IBGZPJMESA-N 412.534 2.982 0 50 HFAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1OC 12124348 VUULKEGTODCCMA-GOSISDBHSA-N 413.522 2.759 0 50 HFAA COc1ccccc1CNC(=O)CCNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296595 VVOVWLASVPWRBV-UHFFFAOYSA-N 406.486 2.951 0 50 HFAA biogenic COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1n[nH]c2c1CCC2 12443773 ODBKUJRBZFMKAH-SFHVURJKSA-N 422.573 2.866 0 50 HFAA Cc1nnsc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 14961135 DTQPCTXZTXHBSB-KRWDZBQOSA-N 419.570 2.902 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCN2CCCCO2)C1 15065180 MGBGSWPDZBIVNC-JOCHJYFZSA-N 406.498 2.958 0 50 HFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)C1CCCC1)CC2 19745557 OPMIXMWTIIBWJT-UHFFFAOYSA-N 410.518 2.765 0 50 HFAA CC1=NC(C(F)(F)F)(C(F)(F)F)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1 19848609 SVCFEQCBHDGSOU-UHFFFAOYSA-N 406.286 2.749 0 50 HFAA CCCn1ncc(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C 39519052 PFTODCNJCCNFBT-HXUWFJFHSA-N 404.530 2.818 0 50 HFAA C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 222325610 PJYWETIMRSHHQY-QBMUGXQSSA-N 418.563 2.576 0 50 HFAA CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239309526 HQGWYDIJLPPTNX-BXGJLEAFSA-N 422.481 2.635 0 50 HFAA Cc1ncsc1CCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 248145907 VSMGKHRAMSUGIQ-WKILWMFISA-N 414.531 2.885 0 50 HFAA COC(=O)c1cn(C2CCN(Cc3ccccc3Cl)CC2)cc2c(=O)[nH]nc1-2 263586956 AENVESJOKGLFQE-UHFFFAOYSA-N 400.866 2.953 0 50 HFAA O=C(COc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1)N1CCCC1 952974671 VBNIWIHCZIAMCE-UHFFFAOYSA-N 408.546 2.791 0 50 HFAA CC1=C(CCN2C[C@H]3CN(C(=O)c4ccnn4C)C[C@]3(CO)C2)C(C)(C)CCC1 1772812350 GJCKFRUJQPTYMA-MBSDFSHPSA-N 400.567 2.703 0 50 HFAA CCN(CCN(C)C)C(=O)c1ccc(OC)c(Oc2ccc(CN)c(OC)c2)c1 1857690391 AIXNNFJXOBGTDF-UHFFFAOYSA-N 401.507 2.979 0 50 HFAA Cc1cn(CCNC(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)nn1 1857712736 FOSCCHUHMIYSOZ-CQSZACIVSA-N 402.886 2.804 0 50 HFAA C[C@@H](O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358099 JMCCKNZLXHUSIB-FAEJEUNOSA-N 408.506 2.569 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cn12 2100539312 BVVWIIDMQJZLTN-IBGZPJMESA-N 400.486 2.739 0 50 HFAA Cc1ncn(-c2ccc(NC(=O)C3CCN(C(=O)N4CCOCC4)CC3)cc2)c1C 2325737219 BIYGJXPKZJOWAU-UHFFFAOYSA-N 411.506 2.592 0 50 HFAA NC(=O)[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)c1ccc(F)cc1 2325876502 XWMKJJYIDXWQPB-XLIONFOSSA-N 405.429 2.688 0 50 HFAA COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 1120132 CMDTTWSLUHFQFX-UHFFFAOYSA-N 410.879 2.840 0 50 HFAA O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1=O)c1ccco1 1143344 LGOMOBZZNLWSEW-SDNWHVSQSA-N 403.232 2.962 0 50 HFAA CCOCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 5060308 QRAJZJLVTRJGND-KRWDZBQOSA-N 420.531 2.648 0 50 HFAA CN(C)S(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 10371882 BAFXZOMHVLTCOV-UHFFFAOYSA-N 415.559 2.734 0 50 HFAA COc1cccc(C[C@]2(CO)CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1 11938058 XDBLSOXOGNDRCC-RUZDIDTESA-N 424.541 2.989 0 50 HFAA CSCc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)o1 11945587 QOXBWAAEYNFADL-UHFFFAOYSA-N 407.580 2.984 0 50 HFAA COCCSc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1C 14950964 YAOMVPJQIKLRCP-UHFFFAOYSA-N 408.955 2.988 0 50 HFAA COc1ccc(OC)c(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c1 14992549 HRNROHOAVQXMRG-LJQANCHMSA-N 415.538 2.577 0 50 HFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccn3-c3nccs3)C2)CC1 20600026 QXOZWPLWSWGTOT-KRWDZBQOSA-N 403.552 2.672 0 50 HFAA O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 64058185 NVWFDHXGCHLZNM-MSOLQXFVSA-N 422.455 2.910 0 50 HFAA COc1ccc(-c2cnnc(N3CCC(N4CCSCC4)CC3)n2)c(OC)c1 67676791 XLRQEQUPAOHAOL-UHFFFAOYSA-N 401.536 2.573 0 50 HFAA Cc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)c2cc1C 225835589 AVKXJJPNFZBAAI-HXOBKFHXSA-N 405.454 2.835 0 50 HFAA COC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 242389533 ZYBLZZVTUWXPKE-ZIAGYGMSSA-N 403.456 2.545 0 50 HFAA CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 252489858 KCPBMJKWKZEZCO-UHFFFAOYSA-N 408.549 2.807 0 50 HFAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 328605451 NSUDEHCXOFNJKX-FQEVSTJZSA-N 419.529 2.590 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(CC(=O)N(C)C(C)C)C3)C2=O)c1 426409221 FJATUQCKFTVERP-JOCHJYFZSA-N 405.514 2.516 0 50 HFAA Cc1cc(NC(=O)CN(Cc2ccccc2)C(C)(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 474827629 AUAURGIZAGPPPW-GOSISDBHSA-N 418.563 2.790 0 50 HFAA CN(C(=O)[C@H]1CCN(c2nc3ccccc3nc2N2CCOCC2)C1)c1ccccc1 485412182 ROBJBJVYENGMND-SFHVURJKSA-N 417.513 2.956 0 50 HFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN2C(=O)OCC[C@H]2C1 764486932 WBKHZTTZWFJWEI-SFHVURJKSA-N 403.442 2.601 0 50 HFAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCc2cnc[nH]2)cc1 824692126 PNWNIAAFISZXMK-UHFFFAOYSA-N 407.426 2.995 0 50 HFAA biogenic COc1ccc(OC)c2c1cc(C(=O)N1C[C@@H]3C[C@@H](C1)[C@H]1CCCC(=O)N1C3)n2C 888088510 DDBJRJUMATXBJW-YQQAZPJKSA-N 411.502 2.669 0 50 HFAA CCOc1cc(CN(CCN(C)C)C[C@@H]2CCCO2)ccc1OCCn1ccnc1 952978452 CKPDNUSVGNMSDR-NRFANRHFSA-N 416.566 2.903 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CC[C@](OC)(C(F)(F)F)C2)(c2ccccc2)CC1 1303069159 DORNWWNFSZWWBE-HXUWFJFHSA-N 410.436 2.913 0 50 HFAA Cn1cc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704308713 HXVSBHARUABFQH-NRFANRHFSA-N 409.515 2.546 0 50 HFAA COc1ccc2nc(C(=O)N3CCCC[C@H]3CCn3cc(C(=O)O)nn3)ccc2c1 1875351456 WRURRXRUUCCKPY-HNNXBMFYSA-N 409.446 2.618 0 50 HFAA Cc1c(-c2cc(CNCC(C)(C)[C@]3(O)CCCOC3)cc3c2OCO3)cnn1C 1875391961 IDSAPVSDLKEUQY-QFIPXVFZSA-N 401.507 2.782 0 50 HFAA O=C(O)c1cn(CCCCNS(=O)(=O)c2ccc(Cl)c3ccccc23)nn1 2325870743 MZFXPJUZKAZDGK-UHFFFAOYSA-N 408.867 2.542 0 50 HFAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)C1 2356154254 OLHCEBKFOZECJD-KRWDZBQOSA-N 404.507 2.798 0 50 HFAA COc1cccc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1OC 2356156556 HLRZDUQINPJSAL-DNVFCKCGSA-N 402.535 2.964 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 1147807 UALGDVBZXKTVKG-UHFFFAOYSA-N 401.257 2.993 0 50 HFAA CCN(CC)CCn1c(=N)n(C[C@H](O)COc2ccccc2OC)c2ccccc21 1235471 QBTLXKVNYXGYLM-SFHVURJKSA-N 412.534 2.713 0 50 HFAA CCn1ncc(NC(=O)c2cc(Br)c(Br)s2)c1C(N)=O 2781460 YXEJEKBRDAJXAQ-UHFFFAOYSA-N 422.102 2.841 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4163794 QVGNNPYQHRKFLA-IIDMSEBBSA-N 408.332 2.519 0 50 HFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1 12307326 JTSOFOPQPUJUQZ-JOCHJYFZSA-N 400.498 2.891 0 50 HFAA C[C@H](Sc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C)C(=O)NC(C)(C)C 12383979 GMCQIHWGPLSJIU-NEPJUHHUSA-N 407.515 2.841 0 50 HFAA COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)n(C)n3)C2)cc1 14981966 KZBZDYJBQYWWPS-CTNGQTDRSA-N 410.518 2.642 0 50 HFAA O=C(NCCc1cccc(F)c1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 15075350 XFSQJJBPUNAIAS-IBGZPJMESA-N 401.526 2.597 0 50 HFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 16648824 JFZMHFXCKKKQJM-LJQANCHMSA-N 415.497 2.857 0 50 HFAA CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 95616590 VFOKSTCIRGDTBR-UHFFFAOYSA-N 410.522 2.792 0 50 HFAA investigational COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1 169759860 OMQOHHMVKUSTME-NRFANRHFSA-N 407.426 2.822 0 50 HFAA O=C(c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2)N1CCSCC1 263615859 FONSHXHNZGSGDW-AWEZNQCLSA-N 409.309 2.501 0 50 HFAA COc1ccc2nc(N3CCC[C@H]3C(=O)NCc3ccc4c(c3)OCO4)nc(C)c2c1 299758777 LQMMALOGNARUQH-IBGZPJMESA-N 420.469 2.961 0 50 HFAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 409414695 USAOLYDGVDLKLW-AWEZNQCLSA-N 417.347 2.661 0 50 HFAA Cc1[nH]nc(O)c1CC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426498780 WOYSISAONXWMSD-JOCHJYFZSA-N 402.539 2.778 0 50 HFAA O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCN2C(=O)CC[C@@H]2C1 430591479 NWPVGEXQQWQMNR-OAHLLOKOSA-N 403.438 2.767 0 50 HFAA O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 478926613 NHLKFUCNXJOOKH-YCRPNKLZSA-N 424.482 2.559 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)COc2ccccc2Cl)cc1OC 1529153679 UCAPBGJYJLOOQY-TZIWHRDSSA-N 421.877 2.697 0 50 HFAA Cc1ccncc1C(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3Cl)C[C@@H]2C1 1875322480 UYTSDOQMYIINBE-GJZGRUSLSA-N 401.898 2.699 0 50 HFAA COCCN(C)CC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100547596 LTOQOKBCRBQODJ-HSZRJFAPSA-N 411.546 2.529 0 50 HFAA CN(C(=O)C1CC2(CC(=O)C2)C1)[C@H]1CCCC[C@@H]1N(C)C(=O)C1CC2(CC(=O)C2)C1 2325713836 IUONMQYIGHLSMZ-PMACEKPBSA-N 414.546 2.733 0 50 HFAA COc1cc(CN(C)C2CCCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 12112000 GFFYXEIVDHQQJF-NRFANRHFSA-N 406.567 2.656 0 50 HFAA CCOc1cc(CN2CCC[C@@H](n3cc(C(=O)N(CC)CC)nn3)C2)ccc1O 12165469 GYLBTDIYBHKEBI-QGZVFWFLSA-N 401.511 2.702 0 50 HFAA CN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12457935 KRNBNMXWUPNRNQ-QGZVFWFLSA-N 401.532 2.602 0 50 HFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C/C=C/c3ccco3)CC2)CC1 20205736 GATWWPKZGWLXPQ-FPCYGPBVSA-N 401.551 2.764 0 50 HFAA CCN(Cc1ccncc1)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 55071477 HFVQDNJOBSPNQG-UHFFFAOYSA-N 408.568 2.766 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccco1 72125495 NZZULMHKIATMKJ-HSZRJFAPSA-N 417.509 2.918 0 50 HFAA COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1OC 169778400 KOOSZKIXBQUVKB-UHFFFAOYSA-N 407.405 2.878 0 50 HFAA C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229551712 GTSLTTFHCFJNNQ-CBBWQLFWSA-N 421.519 2.828 0 50 HFAA CCCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)[C@H](C)C(=O)OCC 241720906 QTGREEWRMYYDJS-OAHLLOKOSA-N 404.536 2.940 0 50 HFAA O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)C1 252511844 LDHUIYJYAMRZAX-MSOLQXFVSA-N 418.519 2.678 0 50 HFAA Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 328592910 PZCMTLBKMSHHTD-MHZLTWQESA-N 403.891 2.876 0 50 HFAA Cc1cc(=NC(=O)CCCOc2nn(C)c3ccc(Br)cc23)[nH]n1C 409417365 FECPIZZHWZPXKF-UHFFFAOYSA-N 406.284 2.597 0 50 HFAA C[C@H](Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)c1nnnn1C1CCCCC1 469329453 WMNNCQZNBVDOKA-KRWDZBQOSA-N 411.554 2.668 0 50 HFAA O=C1CCSc2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)cc2N1 670448116 GOLLIDKSPNDFCA-UHFFFAOYSA-N 406.533 2.591 0 50 HFAA COC(=O)c1sc(NC(=O)CCc2c(C)nc(O)nc2O)nc1C1CCCC1 754568123 XLWAPIZDVIXIRA-UHFFFAOYSA-N 406.464 2.668 0 50 HFAA Cc1ccc(Cc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1C 951726929 QRZXSXVEMSKKQO-HNNXBMFYSA-N 405.549 2.532 0 50 HFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c1 1529187305 RIPLEKLIYQTQFF-HXUWFJFHSA-N 403.486 2.930 0 50 HFAA O=C(CN1CCc2ccccc2C1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1615965521 NBOQIOSBERZRQP-ZJSXRUAMSA-N 401.510 2.655 0 50 HFAA O=C(c1ccnc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1)N1CCOCC1 1704300913 BLHRIUJZXKZWSH-DENIHFKCSA-N 418.497 2.772 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)C[C@@]2(C)CCN(C)C2)ccc1F 1704316434 PHCXLRBMKKYZBK-NRFANRHFSA-N 404.486 2.969 0 50 HFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccs4)cc3)C2)n1 1857799137 OVOLXGMXPJESFS-ZDUSSCGKSA-N 418.500 2.870 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[C@@H]2CCCC(=O)N12 2356160446 SEHLILDNFRYYLZ-HNJRGHQBSA-N 409.534 2.988 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccncc2)CC1 11817132 ODCBJGZBAGWWLC-OAQYLSRUSA-N 400.567 2.634 0 50 HFAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 12448726 BGTUIHKJHKCIMM-FQEVSTJZSA-N 416.566 2.519 0 50 HFAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)c2ccccc2)(c2ccccc2)C1=O 12451848 MBNJNYHSVRDZNB-UUOWRZLLSA-N 408.498 2.987 0 50 HFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1 12865051 UNYGTRBGLFMGCW-UHFFFAOYSA-N 423.560 2.923 0 50 HFAA CCN1CCN(C(=O)c2ccc(N3CCC(NCCc4ccco4)CC3)cc2)CC1 14888302 SNHZFYKRUWYQBP-UHFFFAOYSA-N 410.562 2.858 0 50 HFAA COC(=O)c1cccc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CCC2=O)c1 14991787 DDZQJHXGTFSTAY-UHFFFAOYSA-N 405.454 2.829 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 15066260 DGUAABMZWHHOLR-XMMPIXPASA-N 413.521 2.814 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1cccc(F)c1 15066378 MSTXFWHCQIOSJH-QFIPXVFZSA-N 405.473 2.986 0 50 HFAA O=[S@]1c2ccccc2N(CCCN2CCN(CCO)CC2)c2cc(Cl)ccc21 22595372 WXJXTMQMAOYROI-MUUNZHRXSA-N 419.978 2.958 0 50 HFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1(N2CCOCC2)CCCCC1 23339902 ZEMQRPQQCAOMMH-QFIPXVFZSA-N 411.590 2.770 0 50 HFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1 55108708 KVHIUZBIMYPEGB-NRFANRHFSA-N 412.578 2.511 0 50 HFAA NC(=O)[C@@H](Sc1nnnn1Cc1ccccc1)c1ccc(Br)cc1F 170638473 XMJDCLDOLAXUBV-AWEZNQCLSA-N 422.283 2.942 0 50 HFAA CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(F)cc2Br)cn1 225417650 CELJQDFUAKDOIB-MYYSRTQBSA-N 414.300 2.750 0 50 HFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 428121104 MFSLBIDYXMXODT-SSWHHONOSA-N 407.458 2.902 0 50 HFAA COc1cc2c(cc1-c1nccn1CC[C@H]1CCCCN1S(C)(=O)=O)OCCO2 1857685102 CDBASNFNJAFHDP-OAHLLOKOSA-N 421.519 2.534 0 50 HFAA CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3)CC(=O)N2[C@@H]1c1ccccc1 1857687400 VVMMDJBCUMPBMH-KCZVDYSFSA-N 405.498 2.625 0 50 HFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c(O)n1 1857714523 WZAHFUFFZGKBAK-HSZRJFAPSA-N 417.469 2.773 0 50 HFAA O=C1CC[C@@H](CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)CN1 1875315269 NHCXHEBHCBTBEO-OAHLLOKOSA-N 423.542 2.879 0 50 HFAA O=C(Nc1ccc(Cl)c2ncccc12)C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1 2325739955 QQYKOHDFLSUWBE-HNNXBMFYSA-N 422.872 2.858 0 50 HFAA C=CC(=O)N1CCC(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 2325786998 SJVNTXCFOLMCRK-UHFFFAOYSA-N 420.197 2.933 0 50 HFAA CCCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)OC3CCCCC3)C2)c1C 2325828434 HBSVSGQQHPHGAE-QZTJIDSGSA-N 404.555 2.978 0 50 HFAA COc1cc(F)c(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(F)c1 2356140855 QOAFEMBQRNXKRM-OAQYLSRUSA-N 402.445 2.950 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 7881219 AVWCHIGZUQOUQK-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CCOCCCNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 11952073 UDVYVLLJICYSCG-QHCPKHFHSA-N 423.557 2.552 0 50 HFAA COc1ccc(CN(Cc2nccn2C)C(C)C)cc1OC[C@H](O)CN(C)C(C)C 15073384 VWSGTIBIQQWDPL-HXUWFJFHSA-N 418.582 2.919 0 50 HFAA CCN1CCN(CC(=O)N(CC)C[C@@H]2CCCN(CCc3cccc(F)c3)C2)CC1 23374616 DRVRPSRYLCFQJZ-JOCHJYFZSA-N 418.601 2.566 0 50 HFAA O=C(O)c1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c(=O)[nH]c2=O)cc1 67759074 XAZNNEBHZPNPRV-UHFFFAOYSA-N 402.410 2.535 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 170603534 MNKQRHUWFBDNEP-RYRVOACTSA-N 411.506 2.531 0 50 HFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Br)cc1 239306259 GQFZBTNIZROOPP-OZINRZGZSA-N 415.287 2.831 0 50 HFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc4[nH]ccc34)N=C2O)cc1 252527963 DVJHDQIZFKBFSA-LJQANCHMSA-N 406.442 2.873 0 50 HFAA NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O 253409745 MIIVGOIVTHTSMS-ZDUSSCGKSA-N 410.392 2.756 0 50 HFAA CCCNC(=O)c1ccc2c(c1)nc(N1CC[C@@H](CO)[C@@H](O)C1)n2C1CCCCC1 1615736669 JUJTWCPNAVAPFX-UWJYYQICSA-N 414.550 2.861 0 50 HFAA COc1cccc2c1OC[C@@H](C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2 1772705958 NMJXYCKREYOUKA-IBGZPJMESA-N 400.519 2.888 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)cc2)C1 1857685229 DYCZLUSPGSUEGR-UNWVZKJWSA-N 403.542 2.655 0 50 HFAA COc1cc2c(cc1OC)C(=CS(=O)(=O)c1ccc(NC(C)=O)cc1)NCC2 2082927040 MWVVTIDUEHLQHP-UHFFFAOYSA-N 402.472 2.580 0 50 HFAA CCC(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)Cc3cc(C)ccc3F)CC2)C1 2332238293 KJIHBLCETUCKFB-MEICJLBASA-N 424.538 2.909 0 50 HFAA COc1ccc(CC(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1OC 879318 RVXDDZADSDZGPT-GOSISDBHSA-N 409.364 2.529 0 50 HFAA COc1nc(NCCC2=CCCCC2)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1078196 WJXXAYQWFXZHEB-MSOLQXFVSA-N 422.533 2.968 0 50 HFAA COc1ccc(OCc2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c(Cl)c1 11816229 VARGWWWERMSIJT-UHFFFAOYSA-N 407.854 2.610 0 50 HFAA COC[C@H]1CCCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 12198037 HSSVDJANRONHQO-GOSISDBHSA-N 404.507 2.726 0 50 HFAA COC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)cc1 15064572 BELUGSGXROAQGU-LJQANCHMSA-N 410.470 2.537 0 50 HFAA CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55108179 AHRUNYPWLJYENV-LJQANCHMSA-N 421.875 2.967 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)NC3CCCC3)CC2)C1 82148479 QZXFNXPFBVESBV-LJQANCHMSA-N 413.566 2.526 0 50 HFAA CNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 95726678 UWIWNJFBNIMMGY-FDBOBMRISA-N 401.547 2.757 0 50 HFAA in-vitro COC(=O)c1cccc(F)c1NC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 170602907 SOYNLPUVPWLXBQ-LBPRGKRZSA-N 416.405 2.621 0 50 HFAA CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2N[C@]1(C)O 239310031 HZMHDVJGOYRAGL-ZIBATOQPSA-N 404.776 2.853 0 50 HFAA CN(C)C(=O)[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 252486912 OAVXFJLFGPXSRB-QRVBRYPASA-N 403.429 2.924 0 50 HFAA NC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1oc(CN2CCCCC2)cc(=O)c1O 253395992 ASNGBOVJICCGHV-SFHVURJKSA-N 410.470 2.766 0 50 HFAA biogenic O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)Nc1ccc(N2CCCC2=O)c(F)c1 487999286 LWKALBMQSPVIEC-WJJDCULKSA-N 411.477 2.583 0 50 HFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCN(C(=O)c3ccc(Cl)cn3)CC2)c1C 1704303016 VPHKJDFXZNYIMY-UHFFFAOYSA-N 402.882 2.871 0 50 HFAA CC(=O)N1C[C@@H]2CN(C(=O)CSCc3ccccc3Cl)C[C@]2(CCC(=O)O)C1 1772805324 KLCRYWARKSCQEN-UZLBHIALSA-N 424.950 2.745 0 50 HFAA Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CN(C(=O)c3ccncc3)C[C@]2(CO)C1 1772809653 ZNKAASTWQUTQQO-HRAATJIYSA-N 414.893 2.642 0 50 HFAA CCc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4ccc(F)cc4C)C3)C2)nc1 1857686304 PUBYSOLMQKQXOD-OFNKIYASSA-N 412.509 2.980 0 50 HFAA O=C(NC[C@H]1[C@H]2CN(C(=O)c3ccccc3)C[C@]23CC[C@H]1O3)c1ccc(Cl)o1 1857710496 ZVMFMJFIFGFFRU-YJPQMCDFSA-N 400.862 2.983 0 50 HFAA C[C@@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)S(=O)(=O)C1CCOCC1 1875262729 CEJRLLLRSHEYHI-ZDUSSCGKSA-N 421.544 2.539 0 50 HFAA O=C1CC[C@H](N2C(=O)c3ccc(OCc4cccc(C5CC5)c4)cc3C2=O)C(=O)N1 2325893894 YRDVUSJYXHGDAB-IBGZPJMESA-N 404.422 2.544 0 50 HFAA COc1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1F 2356163569 JBNIQECJCQLHDN-HOIFWPIMSA-N 404.482 2.735 0 50 HFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 888784 FQNQQEAPCNKDMD-UHFFFAOYSA-N 418.500 2.695 0 50 HFAA CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 1064978 DBYUCSSZWVPTDT-UHFFFAOYSA-N 415.284 2.525 0 50 HFAA Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(Br)cc1 1837986 NSPGCOXPKIGQLI-UHFFFAOYSA-N 420.259 2.679 0 50 HFAA O=S(=O)(c1cccc2nsnc12)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4537662 ZSGPZTXQFOPZAL-UHFFFAOYSA-N 418.588 2.966 0 50 HFAA CC1=NN(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)[C@](O)(C(F)F)C1 6394734 CVXQJORONOFNMP-MRXNPFEDSA-N 402.760 2.888 0 50 HFAA Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 6817923 ZIYXOGRXQBJUKT-UHFFFAOYSA-N 400.485 2.850 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 8449113 RBZQXRUWZOYDBM-UHFFFAOYSA-N 422.572 2.561 0 50 HFAA CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1=O 10462031 AXGUZINBEZVGBA-JFIYKMOQSA-N 401.507 2.523 0 50 HFAA O=c1c(CN[C@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1CCc1ccccc1 12470411 OLEMRYJYLLXDGN-FQEVSTJZSA-N 414.502 2.660 0 50 HFAA CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccco2)C1 17092192 OECUZLPTXAWNBR-LBPRGKRZSA-N 420.487 2.826 0 50 HFAA O=C(Cn1cccn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55282246 MGROXOQHEJWFCD-LJQANCHMSA-N 421.467 2.715 0 50 HFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4OC)CC3)C2=O)cc1 100313940 IVTQBWBBHGTGCZ-HXUWFJFHSA-N 409.486 2.548 0 50 HFAA CN1CCC(N2CCN(Cc3cccc(OC4CCCC4)c3)C[C@H]2CCO)CC1 104456992 VAZQPDLTSKOCEA-JOCHJYFZSA-N 401.595 2.971 0 50 HFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1)[C@@H]1[C@H]3[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 239203369 SFQRCMQHKXJWKY-QSWMWHTMSA-N 424.456 2.660 0 50 HFAA O=C(c1ccc(O)nc1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 426513465 APVRJJUVTYSYGI-OAQYLSRUSA-N 401.413 2.720 0 50 HFAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 461852940 PNFSEVDROLGWFC-JOCHJYFZSA-N 422.529 2.598 0 50 HFAA Cc1ccc(Cc2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 471606833 QHJVMLMNADARMQ-LJQANCHMSA-N 419.485 2.707 0 50 HFAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)c12 888088388 UMFZSBCHUVGLGS-BXWFABGCSA-N 409.534 2.873 0 50 HFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 888088703 MRIFEQJWJRWZHC-HLIPFELVSA-N 409.534 2.639 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3CCC([C@H](O)c4cccs4)CC3)ccc2N1 952985527 CBQBHDKJDFQNGP-IBGZPJMESA-N 406.529 2.767 0 50 HFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@]2(CCC[C@H]2OC)C1 1704300049 SYOQHXBWOFTXPC-WOJBJXKFSA-N 405.520 2.851 0 50 HFAA C[C@@]1(NC(=O)c2ccccn2)CCOC2(CCN(Cc3cccc(F)c3)CC2)[C@H]1O 1772705115 WFNCYSILJRWVPH-FCHUYYIVSA-N 413.493 2.525 0 50 HFAA O=C1C[C@H]2N(Cc3cccc(OCCCCN4CCCCC4)c3)CC[C@]23OCCN13 1857734919 YWZHTQNIFWWGMN-VWNXMTODSA-N 413.562 2.865 0 50 HFAA NC(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2CO)c(OCC(F)F)c1 1875337174 PMMSKPJYOLCPFR-IFXJQAMLSA-N 419.428 2.847 0 50 HFAA Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)c2cccc(O)c2)ccc1Br 2325743216 KKNKVLOEVCWMNU-CQSZACIVSA-N 400.250 2.567 0 50 HFAA O=C(Cn1ncc(=O)c2ccccc21)N[C@@H]1C[C@@]12CCc1cc(Br)ccc12 2325818654 PHVXUBSZIAQVQM-TZIWHRDSSA-N 424.298 2.932 0 50 HFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(O)nc4ccccc34)C1)CC2 2356143988 FNXDWASBFKKICL-QHCPKHFHSA-N 403.486 2.917 0 50 HFAA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl 1109969 WAWSUGNAIDDRKM-UHFFFAOYSA-N 408.907 2.962 0 50 HFAA COc1cc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(OC)cc1Cl 1119159 DCAZMIBPIUPIOL-UHFFFAOYSA-N 424.862 2.531 0 50 HFAA O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccccc1I 1127864 UDOIUZPEJMTSQB-UHFFFAOYSA-N 423.189 2.723 0 50 HFAA CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 4269239 HOJACMSWPILLFM-UHFFFAOYSA-N 408.531 2.801 0 50 HFAA CC[C@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 4698961 LYGQFQMZLSHWHN-HOTGVXAUSA-N 419.503 2.795 0 50 HFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccc(CC)cc2)cc1 11765806 XFQMUMMWDBFXDB-QHCPKHFHSA-N 423.557 2.997 0 50 HFAA CCN1CCN(C(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 13681730 AENYEPDAJZEGMN-UHFFFAOYSA-N 419.522 2.570 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCc1cccc(Cl)c1)C2 14746166 IXDSJUSOEXWGOU-QGZVFWFLSA-N 418.994 2.952 0 50 HFAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1OC 14953387 AXOFNVBNMCGIRP-IBGZPJMESA-N 400.523 2.525 0 50 HFAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O 14976498 QNLCEHJXQRMNFV-UHFFFAOYSA-N 413.474 2.618 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1C[C@H]1CCCO1 20877779 BJJFPAGFUZAMNK-HXUWFJFHSA-N 405.564 2.920 0 50 HFAA CCCc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n(C)n1 55342413 YWIAHWZNHUKPOU-IBGZPJMESA-N 413.541 2.939 0 50 HFAA Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1N(C)S(C)(=O)=O 65364709 WLEFNBHBWVTLBL-UHFFFAOYSA-N 415.559 2.970 0 50 HFAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)cc1 77539531 GUBQXANCJNDGSV-JTKRFKOTSA-N 414.505 2.862 0 50 HFAA CSCC[C@@H](NC(=O)CCCc1nnc2ccccn12)c1nnc2ccccn12 223233780 YWTWRBJZTJEKIQ-OAHLLOKOSA-N 409.519 2.705 0 50 HFAA CC(C)/C=C/C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1cccc(N2CCNC2=O)c1 299791646 HFFOZCKLCXCNQO-OVKVCFKUSA-N 410.518 2.996 0 50 HFAA CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 464180808 HNIYUJQZTXAPJN-GOEBONIOSA-N 400.566 2.810 0 50 HFAA CC(=O)c1ccc2c(c1)CCN(CN1C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)C1=O)CC2 799139750 VXGXFFFTOCDFIS-SDPNRYTFSA-N 421.541 2.994 0 50 HFAA Cc1cccc(-n2c(S)nc3cc(C(=O)NC[C@H](C)N(C)C)ccc3c2=O)c1C 920453511 AYVKTYMVOFYGSN-AWEZNQCLSA-N 410.543 2.971 0 50 HFAA COc1cc(CN2C[C@H]3CN(Cc4ccncc4Cl)C[C@@]3(CO)C2)cc(OC)c1 1772806058 YDXVZDLHRQGGKD-PGRDOPGGSA-N 417.937 2.679 0 50 HFAA Cn1cc(CC(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c2ccccc21 1857700315 SGTNXRHOHMALMO-GOTSBHOMSA-N 417.509 2.749 0 50 HFAA COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1c(C)nc(N2CCCC2)nc1O 1875252712 XXSDXBZOYKNGAP-QGZVFWFLSA-N 400.454 2.585 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ncc[nH]4)C3)[C@@H]3CCCC(=O)N23)c1 2356158654 UCGHRTOLFYPVBU-UMGGQSCQSA-N 408.502 2.503 0 50 HFAA CC(C)N(C(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1)C(C)C 1090420 DWZQWSYIOZFAHZ-UHFFFAOYSA-N 417.531 2.523 0 50 HFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(I)cc1 1132440 RLWBKQMFGOKIRW-UHFFFAOYSA-N 405.195 2.640 0 50 HFAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nn1c(S)nc2ccccc2c1=O 2792451 AONFGSLUGOEQBL-VIFPVBQESA-N 411.409 2.615 0 50 HFAA Cn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n3ccccc3nc21 2916987 ZZVOMVMAULNDHE-UHFFFAOYSA-N 421.888 2.802 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 4263340 QPBZUNMZVMIAIG-MPGHIAIKSA-N 410.348 2.505 0 50 HFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H](C(=O)O)C1 4818907 FFCAWQQEPFXANX-QZTJIDSGSA-N 400.475 2.507 0 50 HFAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)CC1 6702942 VSMFXOVOFLKCJU-UHFFFAOYSA-N 418.501 2.824 0 50 HFAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCN(Cc3cccs3)CC1)C2 12051727 OBTGVVYYOVVRIN-QGZVFWFLSA-N 415.559 2.684 0 50 HFAA COc1ccc(CNCc2cnn(C)c2)c(OC[C@H](O)CN2CCCCCCC2)c1 12073225 PKKFYQODLKKHHA-OAQYLSRUSA-N 416.566 2.724 0 50 HFAA O=C(C1=CCCCC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 12245795 PXTRIRMRLSHLAX-FQEVSTJZSA-N 408.546 2.859 0 50 HFAA COc1cccc(CN2CCC[C@@H](NC(=O)CN3CCOc4ccccc4C3)C2)c1 12298112 XBHOEABCESZZQG-OAQYLSRUSA-N 409.530 2.670 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc3ncccn3n2)C1 12429286 GDDNPJKDCXANOX-JOCHJYFZSA-N 410.449 2.897 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 12710660 KNEROWNZFXBVPQ-GOSISDBHSA-N 406.958 2.968 0 50 HFAA COC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 14977910 RXQPHRAXMPIFOR-HXUWFJFHSA-N 414.502 2.634 0 50 HFAA CN1CCC(N(C)C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1 14988737 KNQQWKVKMJCUFF-UHFFFAOYSA-N 406.490 2.966 0 50 HFAA CCOc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1CO 39552621 IOPBFZDWYBBEGB-HXUWFJFHSA-N 420.500 2.925 0 50 HFAA O=C1C[C@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1Cc1ccncc1 104375801 AKJOYSDGFXTEDX-VAXXYWNWSA-N 403.482 2.680 0 50 HFAA CCn1c2ccccc2c2cc(/C=C/C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)ccc21 170629616 NBDXNDIHJSMWOJ-QXLXQBSBSA-N 411.527 2.978 0 50 HFAA O=C(CCCNC(=O)c1cnccn1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253413591 VEGBOSMRDFOZDH-NRFANRHFSA-N 414.469 2.769 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)Nc3cc4nc(C)cc(C)n4n3)CC2)c1 1182116974 BDDHLSNZQZSGLY-UHFFFAOYSA-N 407.474 2.846 0 50 HFAA COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N[C@@]2(C)CCOC2=O)c1 1214790615 WYWLAEIREYLEMN-NRFANRHFSA-N 413.430 2.540 0 50 HFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)s1 1506417442 IPHNZWNDDUCPJG-ZDUSSCGKSA-N 404.492 2.889 0 50 HFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1c(C)oc2c1C(=O)CCC2 1529172782 IDBSFUQNYURYJW-CYBMUJFWSA-N 405.476 2.532 0 50 HFAA Cc1c(S(=O)(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cnn1C 1704330221 GFXHZIVMZUBYDI-QFIPXVFZSA-N 423.542 2.854 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(c4ccncc4F)C[C@@]3(CCC(=O)O)C2)c(C)o1 1772809993 BSWNHULFBKGGBY-VFNWGFHPSA-N 401.438 2.874 0 50 HFAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1OC 1136141 MENWCWMYHODXDI-UHFFFAOYSA-N 406.460 2.676 0 50 HFAA CCOc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 1314426 GLLPHZVEFKEQKD-QGZVFWFLSA-N 407.513 2.900 0 50 HFAA O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2)c1ccccc1 4570470 WNUHIBKAIQSZTJ-AWEZNQCLSA-N 418.540 2.796 0 50 HFAA Cc1sc2[nH]c(SCC(=O)N3CCOCC3)nc(=O)c2c1-c1ccccc1 5009534 LQBLWIPGDLKUNL-UHFFFAOYSA-N 401.513 2.911 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CC[C@H](COC)C2)n1CCCc1ccccc1 11819234 DDIACKIHAKSTQT-IBGZPJMESA-N 405.564 2.778 0 50 HFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N(C)CCc2ccccc2)c1=O 11999127 PLQPOJSOVLJDBG-UHFFFAOYSA-N 417.509 2.961 0 50 HFAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1Cl 12003916 VULCNUAZCVIYRH-LLVKDONJSA-N 408.863 2.913 0 50 HFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCn4cccn4)C3)C2)c1 12297612 SHXCAUYHWQSQAH-JOCHJYFZSA-N 400.498 2.936 0 50 HFAA COCCCn1c(CN(C)[C@H](C)c2nc(C)sc2C)cnc1S(C)(=O)=O 12298776 DXTQQSQZMNEKKJ-GFCCVEGCSA-N 400.570 2.589 0 50 HFAA CN1CCC(N2C[C@@H]3C[C@@H](c4cccn4-c4ccccn4)N4CCC[C@@]34C2=O)CC1 12431780 FKLINJWUOGKSMG-XZOYJPPVSA-N 405.546 2.704 0 50 HFAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)CCN2C1=O 14535039 WWZOQCUXWWEGPM-FUHWJXTLSA-N 416.522 2.507 0 50 HFAA COC(=O)c1cccc(NC(=O)CSc2nc(O)c(-c3ccccc3)c(=O)[nH]2)c1 18068373 WVDXMHCWXTVCGJ-UHFFFAOYSA-N 411.439 2.660 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN(C)CCN2CCCC2)n1Cc1ccccc1 19791459 SGVLOMYAVYOQLJ-UHFFFAOYSA-N 418.607 2.889 0 50 HFAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 20138004 XRJDUCIMCKPZGU-VWLOTQADSA-N 421.541 2.952 0 50 HFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(C4CSCCSC4)C[C@@H]32)cc1 20407099 GFDUJCOGNZLZNY-RBUKOAKNSA-N 408.589 2.981 0 50 HFAA O[C@@H](COc1cccc(CNCCN2CCCC2)c1)CN1CCc2ccccc2C1 20779379 IGAKWZHHHRCZGA-XMMPIXPASA-N 409.574 2.670 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3scnc3C)C2)CC1 67755615 IBPFHRHXBQTHSN-QGZVFWFLSA-N 400.548 2.887 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 91518708 BPFGHKQXMIYNMO-MRXNPFEDSA-N 401.470 2.754 0 50 HFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3c(Cl)cccc3N3CCOCC3)C2)n1 239367108 AHNILKIHJUVZGQ-MRXNPFEDSA-N 417.941 2.570 0 50 HFAA CCCCN(C)C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 242273513 YDHFYGCTNRIZIG-HNAYVOBHSA-N 402.564 2.920 0 50 HFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)N=C2O)cc1 252527792 DJFIOEBBGXRINU-LJQANCHMSA-N 406.442 2.873 0 50 HFAA CC(C)n1c([C@@H](C)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089374 XUSSRWJHDNJTIP-KDOFPFPSSA-N 419.485 2.935 0 50 HFAA CCc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc(N2CCCC2)n1 1704343062 JAMFHRGGXRXXFX-UHFFFAOYSA-N 413.473 2.836 0 50 HFAA COc1cc(CC(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)cc(OC)c1OC 1772703951 GZBQLDUKPMDNNQ-NBGIEHNGSA-N 424.541 2.936 0 50 HFAA CC(=O)N1C[C@@H]2CN(C(=O)CSCc3ccccc3Cl)C[C@@]2(CCC(=O)O)C1 1772805323 KLCRYWARKSCQEN-OXQOHEQNSA-N 424.950 2.745 0 50 HFAA CO[C@@H]1CC[C@H](C(=O)NCc2ccccn2)C[C@H]1Nc1nccc(C(F)(F)F)n1 1857683578 XFNPOPYSDOUFLZ-NWANDNLSSA-N 409.412 2.802 0 50 HFAA Cc1cccn2cc(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)nc12 1857711532 FFABXTBDKOIWLO-PWHSHALESA-N 402.454 2.557 0 50 HFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 1875365399 XECQVGCBDKZAGS-OAHLLOKOSA-N 410.301 2.640 0 50 HFAA C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cc(Br)cc(C(=O)O)c2)C1=O 2325827492 IAWVHBXCJMUYMM-IAQYHMDHSA-N 424.295 2.837 0 50 HFAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)C(=O)N(c1ccccc1)C3=O)C2=O 754789 AEQCMZRPEQWRJJ-UHFFFAOYSA-N 412.357 2.986 0 50 HFAA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 998806 DMWCZRABNKNUEP-UHFFFAOYSA-N 403.504 2.555 0 50 HFAA CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)ccc1O 1129349 NLNIYUZAXMSBKW-IBGZPJMESA-N 422.445 2.714 0 50 HFAA Cn1c(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)nc2ccccc21 12191836 TWJFUBQZSXTWHD-QGZVFWFLSA-N 408.477 2.810 0 50 HFAA O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1cc(CN2CCC[C@@H](O)C2)on1 12587303 AHKOXOJHTCQPIU-CQSZACIVSA-N 401.360 2.719 0 50 HFAA Cc1cccc2nc(CNC(=O)c3cn(CC(C)C)cc(C(=O)NC(C)C)c3=O)cn12 15003612 OIEGSYCIWXNCBH-UHFFFAOYSA-N 423.517 2.529 0 50 HFAA O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 67604070 IKIXQVSHWJXMOY-UHFFFAOYSA-N 424.892 2.996 0 50 HFAA CN1C(=O)[C@](CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)c2ccccc21 71763255 HMWSSHAAQLNXBE-DEOSSOPVSA-N 400.482 2.814 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)cc1C 104503452 MLIDYSFHDCCXGU-OAQYLSRUSA-N 412.530 2.844 0 50 HFAA COc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c2cc1OC 238881753 BFVQRTZFQMHSTN-HDJSIYSDSA-N 417.458 2.668 0 50 HFAA biogenic Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1 241338652 MCRXYUFUOBRTPJ-QNHTTWNFSA-N 409.552 2.633 0 50 HFAA O=C(Cc1ccc(Cl)cc1)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244716298 LMMWAZWKBUACEH-WOVMCDHWSA-N 401.898 2.666 0 50 HFAA O=C(CCC(=O)N1CCN(C2CC2)c2ccccc21)N1CCN(c2ccccn2)CC1 428769903 RIDQXWKMEBYRBM-UHFFFAOYSA-N 419.529 2.526 0 50 HFAA O=C(Nc1nc2cnccc2[nH]1)[C@H]1CC(=O)N(c2ccccc2Br)C1 760716839 WFEJUQRYYCDYEL-JTQLQIEISA-N 400.236 2.712 0 50 HFAA O=S(=O)(N[C@H]1CCCN(Cc2ccccc2F)C1)c1cccc2nsnc12 826626765 ZKYJJPBWFZHUDJ-AWEZNQCLSA-N 406.508 2.773 0 50 HFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 827654470 RCXXLELAHWXCKA-OAQYLSRUSA-N 408.502 2.638 0 50 HFAA COC[C@@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952891938 DESPBANKYRNELN-IEBWSBKVSA-N 415.534 2.744 0 50 HFAA CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)cs1 952986817 IMQLKRIXCWVFJA-OAHLLOKOSA-N 408.545 2.989 0 50 HFAA COc1nc2c(cc1CN1CCc3nc[nH]c3[C@@H]1c1cccnc1)C(=O)N(C(C)C)C2 1506422591 QTCPXAUJAZGFOY-NRFANRHFSA-N 418.501 2.720 0 50 HFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NC(C)(C)C(=O)N(C)C 1704331690 SNJLZKBHAVWQRC-UHFFFAOYSA-N 408.886 2.650 0 50 HFAA COc1cc(CC(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)cc(OC)c1OC 1772703953 GZBQLDUKPMDNNQ-NLFFAJNJSA-N 424.541 2.936 0 50 HFAA Cc1nn([C@H](C)C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1Br 2785625 MNYHTUZAUDDYMI-LLVKDONJSA-N 407.247 2.933 0 50 HFAA CCn1nc(C)c(CNCc2ccc(OC[C@H](O)CN(C)C(C)C)c(OC)c2)c1C 12303169 CPRFRHWBJSMIEC-HXUWFJFHSA-N 418.582 2.898 0 50 HFAA O=C(CCC1CCN(C(=O)Cn2cc3ccccc3n2)CC1)NCc1cccnc1 12449495 YQMXHQBMOYBMPJ-UHFFFAOYSA-N 405.502 2.767 0 50 HFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2 14539639 WBHOOBSGHBTAHU-OAQYLSRUSA-N 421.589 2.768 0 50 HFAA O=C1CN(Cc2cccnc2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 14751769 FQZHDPLEXCTYJD-HSZRJFAPSA-N 409.530 2.738 0 50 HFAA COc1cc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)cc(OC)c1 14982796 OQCHDRCHGLWRKO-UHFFFAOYSA-N 413.522 2.759 0 50 HFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 15062887 REVLEAQCELZTKU-GOSISDBHSA-N 411.550 2.796 0 50 HFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCC3)ccc21 15245476 HTEDYWAXZJDRDI-UHFFFAOYSA-N 413.499 2.632 0 50 HFAA O=C(NC[C@@H]1CCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67758104 UVWROOWVRKROPF-QGZVFWFLSA-N 405.546 2.574 0 50 HFAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCSCC3)c2)c1F 71764745 AZJDJOUYOZACJN-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4c(F)cccc4Cl)c2=O)CCCC3)no1 169763927 ZCEFGXQGCSEGHC-UHFFFAOYSA-N 404.829 2.800 0 50 HFAA CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](NCCC(=O)NCc2ccccc2)C2CC2)C1 170601613 UPCBSYRYMLWTSY-FPOVZHCZSA-N 417.550 2.697 0 50 HFAA O=C(NC[C@H]1CCSC1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 252487035 HQXSHFOHDUEQQG-CYBMUJFWSA-N 401.513 2.731 0 50 HFAA Cc1ccc([C@@H](O)c2ccccn2)cc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 253424674 JFNQIACDFVWIJV-HXUWFJFHSA-N 423.498 2.863 0 50 HFAA NS(=O)(=O)c1cccc(NC(=O)NCCc2ccc(F)c(Br)c2)c1 408526039 VWDUMGGQWHCVQE-UHFFFAOYSA-N 416.272 2.600 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)s1 474422336 QPXLXJCMROVDRL-WWJAACJASA-N 420.600 2.789 0 50 HFAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1)C2=O 771665154 MGHMKNZTOUJUIM-KTKAKWJUSA-N 419.497 2.501 0 50 HFAA COc1cccc(C(=O)N2CCC[C@H](c3nc(CC(C)C)nn3CCO)CC2)c1 1772805141 IFBAJSNIUNBKLL-KRWDZBQOSA-N 400.523 2.887 0 50 HFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCN(C2CSCCSC2)CC1 1772818638 VYQWQHKVEZZMQL-UHFFFAOYSA-N 402.589 2.869 0 50 HFAA CC(=O)NCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857697305 OFAJPSRZAAZEOI-OAQYLSRUSA-N 401.551 2.611 0 50 HFAA Cc1ccc(C(=O)N2CCC(C3CCN([C@H]4CCN(C)C4=O)CC3)CC2)c(F)c1 1857721225 GBOTVYPHLINKJU-NRFANRHFSA-N 401.526 2.929 0 50 HFAA NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 2879426 ZJEOXDIYGNDQOA-UHFFFAOYSA-N 401.307 2.827 0 50 HFAA CC(C)c1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1 5995149 UQJSOSXFVQNNMG-UHFFFAOYSA-N 407.561 2.880 0 50 HFAA CN(C)c1nc(Cl)c(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)s1 12058602 WHBYJPYRFNPTBS-CQSZACIVSA-N 400.976 2.714 0 50 HFAA Cc1nc(CC(=O)NC[C@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cs1 12097501 JZXJBHDFMQLXGL-LJQANCHMSA-N 400.548 2.719 0 50 HFAA COCCc1ncc(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cn1 12431902 XGCJSZKRFCNBQI-UHFFFAOYSA-N 408.502 2.890 0 50 HFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSc2ncccn2)C1 12459713 SQVQCNIOUJAYRN-GOSISDBHSA-N 414.575 2.990 0 50 HFAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCN2CCOCC2)C1 14980460 YOZPLCIRXVNIBZ-XMMPIXPASA-N 416.562 2.904 0 50 HFAA OCCOc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 19300054 JTIOJIACOASSOA-HSZRJFAPSA-N 413.537 2.983 0 50 HFAA COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 32089485 KJXQSADKSYIWGB-KRWDZBQOSA-N 408.506 2.789 0 50 HFAA Cc1nc(NCCNC(=O)c2ccccc2Br)cc(N2CCCC2)n1 65364604 AUVREBPWDXLDGM-UHFFFAOYSA-N 404.312 2.990 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 72437265 HISYJPZNSLGMRG-UHFFFAOYSA-N 412.881 2.595 0 50 HFAA CC(=O)Nc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1 169778362 FMHZOQWKUBJPCK-UHFFFAOYSA-N 407.474 2.830 0 50 HFAA C[C@@H]1[C@@H](N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2=O)CCC[C@H]1C 241515676 OGYWDXFIMKJTGX-DRMAHVMPSA-N 421.563 2.549 0 50 HFAA O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(OCCCO)cc1 253417866 IHOVNEIEJWUMDP-UHFFFAOYSA-N 412.467 2.748 0 50 HFAA COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc5c(c4)OCO5)ccn3n2)cc1 263616680 KAHFVNJBHNPRLO-LJQANCHMSA-N 405.410 2.634 0 50 HFAA C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 328604268 JECYIJIIHKJQSN-CVEARBPZSA-N 416.547 2.528 0 50 HFAA C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 436668014 WGHVXYKLOJZLMQ-INIZCTEOSA-N 403.486 2.724 0 50 HFAA O=S(=O)(NCCN1CC[C@@H](c2ccccc2)C1)c1ccc2nc(O)sc2c1 670474190 RFWREZAHCFHAES-OAHLLOKOSA-N 403.529 2.770 0 50 HFAA Cc1cc(C)n(CC(=O)N2CCC(CNC(=O)CCCc3cccs3)CC2)n1 952874249 ZAZBULMXOFZYQQ-UHFFFAOYSA-N 402.564 2.939 0 50 HFAA O=C(c1sccc1Cl)N1C[C@@H]2CN(Cc3ccn4nccc4c3)C[C@@]2(CO)C1 1772812247 JTVBDVPPOGDMPR-YWZLYKJASA-N 416.934 2.616 0 50 HFAA COc1c(F)cccc1C(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2cnc[nH]2)C1 1857667660 OEGHZYBICQGMAA-YPGOJHLTSA-N 414.481 2.596 0 50 HFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cn4cccnc4n3)C1)CC2 1857672338 SDZIAHWHKOUUGV-QFIPXVFZSA-N 406.490 2.643 0 50 HFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CC(=O)N2[C@H]1c1ccccc1 1857728089 NCMAIWXMNAKYAX-IPJJNNNSSA-N 417.465 2.755 0 50 HFAA Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)CC1 1857734604 WLDRLUIDTAJKNC-MRXNPFEDSA-N 421.526 2.701 0 50 HFAA O=C(c1cccc2c1NCCC2)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857740869 QMCBTGPXGKYWHP-SFTDATJTSA-N 405.498 2.687 0 50 HFAA COC(=O)CCCCC(=O)N1CC=C[C@H]1CNC(=O)c1cc2cc(F)cc(F)c2[nH]1 2325872306 RDHHCSPOHVDBGP-HNNXBMFYSA-N 419.428 2.676 0 50 HFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(Cc2ccccc2OCCn2ccnc2)C1 2356140603 NFRCLWXKTHNPTK-QHCPKHFHSA-N 404.518 2.645 0 50 HFAA O=C1COC2(CCN(C(=O)CCc3ccc(-c4ccc(Cl)cc4)[nH]3)CC2)CN1 2356157586 MIDBDIVGDQVZJG-UHFFFAOYSA-N 401.894 2.775 0 50 HFAA COc1cccc(CCC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356168014 MASCPIGHLGDKDR-YOSAUDMPSA-N 414.546 2.915 0 50 HFAA COc1cc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1OC 1189246 SWTJKWIPAJKDDI-QGZVFWFLSA-N 417.483 2.978 0 50 HFAA O=S(=O)(c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1)N1CCOCC1 2853697 YFWZGZDIPCUVPI-UHFFFAOYSA-N 413.471 2.795 0 50 HFAA COCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@H]1CCCO1 11786698 LCOKRRABYDCQFI-HXUWFJFHSA-N 413.518 2.998 0 50 HFAA O=C(c1ccc(N2CCC(NCCCc3cccnc3)CC2)cc1)N1CCC[C@H](O)C1 11791202 UJJVSSXKMRQVKS-DEOSSOPVSA-N 422.573 2.870 0 50 HFAA COCCn1c(CN2CCC(OC)CC2)cnc1S(=O)(=O)C1CCCCCC1 11935993 BRWJMJBYKCUKSZ-UHFFFAOYSA-N 413.584 2.637 0 50 HFAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1 12713115 JIKQBAOFPMGLTC-UHFFFAOYSA-N 414.527 2.688 0 50 HFAA COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CCN4CCOCC4)C3)ccc2c1 19110590 UVAPOBQJXCAWCM-NRFANRHFSA-N 410.514 2.992 0 50 HFAA COC(C)(C)CNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 19537703 CUFZEZNJNAWKBH-UHFFFAOYSA-N 402.583 2.608 0 50 HFAA Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCCCN3CCOCC3)c12 19607466 QHGFKYMRJSQYCW-UHFFFAOYSA-N 403.552 2.806 0 50 HFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3ncccc13)CC2 20202855 UHBVMLFFMFAQNI-MRXNPFEDSA-N 416.485 2.969 0 50 HFAA CC(C)N1CCN([C@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)CC1 23232195 MFRFDQCIVOWSSY-FQEVSTJZSA-N 409.578 2.576 0 50 HFAA COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3cccs3)ccc1=O)CC2 44901172 OWAMIPUTFUXYET-UHFFFAOYSA-N 411.483 2.574 0 50 HFAA O=C1NCCN(CC(c2ccccc2)c2ccccc2)[C@@H]1CC(=O)N1CCCCO1 55195729 LYTWEPWZUXIZLT-JOCHJYFZSA-N 407.514 2.563 0 50 HFAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1 59832239 YPDWGGQCOVRVJA-UHFFFAOYSA-N 419.407 2.811 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)NC3CCCC3)CC2)C1 82134092 TYBAJQWYQXDNEA-GOSISDBHSA-N 413.566 2.526 0 50 HFAA CCOc1ccc(CN2CCN(Cc3c(C)nn(CC)c3C)C[C@H]2CCO)cc1 95524883 NCKDKBCBGLUHQE-OAQYLSRUSA-N 400.567 2.987 0 50 HFAA CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(N(C)C)cc4)nnc23)n1 169776056 LVBWNDWEZGOTPO-UHFFFAOYSA-N 405.462 2.728 0 50 HFAA COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1 169779792 MFDKGDQGLVTJDK-UHFFFAOYSA-N 406.486 2.826 0 50 HFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(Cl)cc21 206233439 KJFWTULWDGNPIG-GOSISDBHSA-N 424.888 2.942 0 50 HFAA COC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 218140200 HBVZGTTXTUDVQE-CYBMUJFWSA-N 413.348 2.661 0 50 HFAA COc1nc2c(cc1CN1CCCN(c3ccncc3C)CC1)C(=O)N(C(C)C)C2 952969752 QDIBCSOBTDXRDW-UHFFFAOYSA-N 409.534 2.870 0 50 HFAA COc1cccc([C@@H]2CCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C2)c1OC 952973491 NMHKNVMTCPIAAZ-GOSISDBHSA-N 423.513 2.967 0 50 HFAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@H](c4n[nH]c(C)n4)C3)c(C)s2)n[nH]1 1506411127 ZITIUNQDNKGRGX-ZDUSSCGKSA-N 406.537 2.750 0 50 HFAA C[C@H](C1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)CC1)N1CCN(C)CC1 1506417331 IQKRSBKJFOYLIN-OAHLLOKOSA-N 400.498 2.568 0 50 HFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506418356 XAUBOSWJAJNRIV-NRFANRHFSA-N 415.457 2.747 0 50 HFAA CCc1ccc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc1 1704312063 YLFYNXNKAZWEII-NRFANRHFSA-N 400.548 2.774 0 50 HFAA CCc1ccccc1C(=O)N1C[C@H]2CN(C(=O)NCc3cccs3)C[C@]2(CO)C1 1772816738 UAHIOUSXVXMYIB-JTSKRJEESA-N 413.543 2.587 0 50 HFAA CN(C)S(=O)(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857707099 ZLBURTYEQHJVSF-HXUWFJFHSA-N 409.596 2.755 0 50 HFAA CC1(C)CCCN(c2ccnc(N3CC(S(=O)(=O)Nc4ccccc4)C3)n2)C1 1875330746 ZBQDVAMCDDGUKL-UHFFFAOYSA-N 401.536 2.734 0 50 HFAA COc1ccc(C(C)(C)NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cc1 2100557438 SKZZQYVYKXZXRD-RTWAWAEBSA-N 409.486 2.573 0 50 HFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cn2)c2c1[C@@H](C)CC2=O 2325727562 BXQXNCBEVSBZCZ-NSHDSACASA-N 408.863 2.617 0 50 HFAA Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)[C@@H]1NC(=O)C[C@@H]1C 2325861026 CPLYZNASHGGEDI-YVEFUNNKSA-N 411.296 2.852 0 50 HFAA O=C(NCCc1noc(C2CCC2)n1)c1cc2c(s1)C1(CCNCC1)OCC2 2356138817 QQRKPJBSFRZUMK-UHFFFAOYSA-N 402.520 2.523 0 50 HFAA CCC[C@@]1(C(=O)O)CN(C(=O)CC2CCN(Cc3ccccc3)CC2)CC[C@H]1O 2356140675 OGOYTNOXRSSPEV-NFBKMPQASA-N 402.535 2.753 0 50 HFAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 804542 BWBBGMKWKBEXQJ-IBGZPJMESA-N 404.488 2.504 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccc(F)cc1F)C3 12039309 LPVAPLPMECWPPN-HNNXBMFYSA-N 418.513 2.945 0 50 HFAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(C)cc(C)n1 12446243 XNIYNEHVYIAWEJ-INIZCTEOSA-N 405.545 2.777 0 50 HFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccs2)c1=O 12452218 IMFHZHFRKLBIOX-UHFFFAOYSA-N 409.511 2.832 0 50 HFAA COCCN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 12703779 XMHZYXMQUOVASF-NRFANRHFSA-N 402.535 2.645 0 50 HFAA COc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc(OC)c1OC 44917828 KVPLDRMMUHMBMT-UHFFFAOYSA-N 413.405 2.714 0 50 HFAA CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1c(OCC)cccc12 169398146 BLQZOBZQCXZEKS-GUXCAODWSA-N 408.520 2.641 0 50 HFAA O=C(c1ccncc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777563 AGBCQIBGXGUUBB-UHFFFAOYSA-N 401.430 2.867 0 50 HFAA CC(C)[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 223212935 WAEHZNWCOOXMON-HXUWFJFHSA-N 404.474 2.582 0 50 HFAA CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)cc1C 242324390 ZAYWKPRGWZOYAL-PPTBJCHFSA-N 421.519 2.918 0 50 HFAA CCCCN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 253426794 RBJHEPCJZMQTJG-HNNXBMFYSA-N 415.987 2.975 0 50 HFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 772856202 HIZOGCCHYPKULJ-HOTGVXAUSA-N 401.507 2.959 0 50 HFAA Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)N(C)Cc1noc(CC(C)C)n1 952970851 QODANTPRQJKXLT-QGZVFWFLSA-N 400.479 2.966 0 50 HFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)CC2 1857666836 QZTHDJGPFGOWGM-HXUWFJFHSA-N 400.482 2.889 0 50 HFAA O=C1N[C@@H](c2ccccc2Cl)C(=O)N1c1cccc(S(=O)(=O)NC2CC2)c1 1875265182 UEZIYYVLKIBMLO-INIZCTEOSA-N 405.863 2.578 0 50 HFAA CN=[S@@](C)(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 1875325716 ABCHQJWXGUYYIQ-VWLOTQADSA-N 415.880 2.662 0 50 HFAA COc1ccc(-c2cc(NC(=O)c3cccc(OCC(=O)N(C)C)c3)ncn2)cc1 1875356969 UKRUAKJMAMWRSB-UHFFFAOYSA-N 406.442 2.872 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 1875371849 NITSWDYDMIAHFV-RDJZCZTQSA-N 412.408 2.910 0 50 HFAA Cc1c(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)c3cncs3)C2)sc2nccn12 2325875911 FPMAXTSDJBSMGB-BFHYXJOUSA-N 415.544 2.831 0 50 HFAA O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc2c(s1)CCOC21CCNCC1 2356155817 NVNXSQUGHGUVFX-UHFFFAOYSA-N 400.479 2.845 0 50 HFAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1 721025 SSDUMWLLOFTZSK-UHFFFAOYSA-N 406.364 2.896 0 50 HFAA COc1ccc(CCNC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1OC 783948 YHWJLTGCKBBACV-UHFFFAOYSA-N 410.514 2.844 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 981494 QRLATFQRDTYEBN-UHFFFAOYSA-N 416.499 2.937 0 50 HFAA COc1cc(S(=O)(=O)N2CCCCC2)ccc1NS(=O)(=O)c1ccc(C)cc1 2818602 FVARTNPUHKAISE-UHFFFAOYSA-N 424.544 2.979 0 50 HFAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cccs2)CC3)c1 11995463 WJLSKKDGAXLSJG-HNNXBMFYSA-N 411.531 2.898 0 50 HFAA CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 12162026 IFECHVVGWVEMHH-QUCCMNQESA-N 403.571 2.566 0 50 HFAA COc1ccc(CCN2C[C@H](C(=O)NCc3nc4ccccc4n3C)CCC2=O)cc1 12305106 XLYICLRMRWSBKZ-GOSISDBHSA-N 420.513 2.679 0 50 HFAA COc1ccc(C2(CNC(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)CCCC2)cc1 12573979 ACUQTENNTGYTOG-OAQYLSRUSA-N 413.562 2.756 0 50 HFAA Brc1ccc(-n2nnnc2CSc2nnnn2-c2ccccc2)cc1 13534871 YUSBPDVLOQRXPY-UHFFFAOYSA-N 415.280 2.693 0 50 HFAA CN(Cc1ccccc1)C1(CNC(=O)c2cc(=O)c(O)co2)Cc2ccccc2C1 20451963 IBRFOIWLNFBDOR-UHFFFAOYSA-N 404.466 2.745 0 50 HFAA CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCCC[C@H]1O 107040143 HPLWRCQIMODPPC-WOJBJXKFSA-N 402.516 2.887 0 50 HFAA COc1cccc2c1OC[C@@H](NC(=O)N(C)[C@@H]1CCCN(c3ccccc3)C1=O)C2 170628820 REVHOYUUCQINCX-PKOBYXMFSA-N 409.486 2.836 0 50 HFAA COc1ccc(OCc2nnc(N3CCO[C@@H](c4cccc(OC)c4)C3)n2C)cc1 239352374 ABYNQCJUFARILF-HXUWFJFHSA-N 410.474 2.989 0 50 HFAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 245242137 BUPCYOAOQQHOCU-AZXNSQLWSA-N 401.466 2.680 0 50 HFAA COc1ccc(-c2nn3ccn(Cc4ccc(OC)c(F)c4)c(=O)c3c2CO)cc1 263617693 PCOKGZFYJMMCMQ-UHFFFAOYSA-N 409.417 2.860 0 50 HFAA Cc1scnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299802597 ZOKFYCUJILTOFJ-LJQANCHMSA-N 419.522 2.861 0 50 HFAA Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)nnn1CC1CCCC1 469000649 MYDVZFXLJOKHML-FQEVSTJZSA-N 415.513 2.719 0 50 HFAA Cc1cc(CN(CC(C)C)C(=O)[C@H]2CCN(C)C(=O)C2)nc(N2CCCCC2)n1 486099303 WRVJFOJDZPHBLJ-SFHVURJKSA-N 401.555 2.628 0 50 HFAA NC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 952982678 QYUMMAAGUBUFER-LBPRGKRZSA-N 418.847 2.798 0 50 HFAA CCn1ncnc1CN1C[C@@H]2CN(CCC3=C(C)CCCC3(C)C)C[C@]2(CO)C1 1772708543 HZBAITONCUUHKY-WMZHIEFXSA-N 401.599 2.941 0 50 HFAA O=C(NCc1ccccn1)[C@@]12CCCCN1C[C@@H](Nc1ncnc3ccccc13)C2 1857686976 LJKKLPKQWKHCNX-MBSDFSHPSA-N 402.502 2.750 0 50 HFAA CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C(C)C)cc3)nc2)CC1 1875260156 YEFSDZIHMQOSQL-UHFFFAOYSA-N 410.518 2.891 0 50 HFAA C[C@@H]1CCCc2cc(C(=O)N[C@H]3C[C@H](NC(=O)c4cc5n(n4)[C@H](C)CCC5)C3)nn21 2325816590 FLHKXJWASGBXJV-KLHDSHLOSA-N 410.522 2.565 0 50 HFAA NC(=O)[C@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)c1ccc(F)cc1 2325876503 XWMKJJYIDXWQPB-YLJYHZDGSA-N 405.429 2.688 0 50 HFAA C[C@H]1c2ccccc2[C@H](C)N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901363 AVLCVNKXQWCXAW-PJSUUKDQSA-N 417.465 2.726 0 50 HFAA COc1cc(-c2o[nH]c(=NCCc3nc(C)c4c(n3)CCC4)c2C(=O)O)ccc1F 2356141836 RRFUDEFOLJFLMZ-UHFFFAOYSA-N 412.421 2.851 0 50 HFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1156501 OKTDJFGWQLWTST-UHFFFAOYSA-N 402.472 2.513 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(C)=O)C2=O)cc1 1782088 JYPXGECOYCCNQX-IBGZPJMESA-N 424.453 2.885 0 50 HFAA C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CCN1 3795937 QBDBUKJBJJWZMG-VIFPVBQESA-N 411.380 2.573 0 50 HFAA investigational COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 5051119 VHRKTVITDBXALS-UHFFFAOYSA-N 410.879 2.527 0 50 HFAA Cc1cc(C)cc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)c1 6527779 LHJCJLCOKORHGE-GOSISDBHSA-N 414.359 2.957 0 50 HFAA CCCC(=O)N1CCc2c(C(=O)OC)c(OCCc3ccsc3)cc(=O)n2CC1 11838400 WTRABILLZRECDL-UHFFFAOYSA-N 418.515 2.503 0 50 HFAA COC(=O)[C@H]1CCCCN1C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12718219 GPAXWFPUMNSOBD-HXUWFJFHSA-N 414.502 2.634 0 50 HFAA O=C(NCc1ccccc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 13001729 WAKUFSFBFUIMRT-UHFFFAOYSA-N 404.396 2.676 0 50 HFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2C[C@@H](NCc3ccc4ncccc4c3)C[C@@H]12 14536334 GKXWPRBPMRZZNR-BVSLBCMMSA-N 406.530 2.763 0 50 HFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc3C2)[nH]c1=O 14994166 MRQPCRYPROXGQS-UHFFFAOYSA-N 417.465 2.592 0 50 HFAA CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)c1ccccc1SC)CC2)C(C)C 15005416 JGIPWWYMVZSOAS-IBGZPJMESA-N 415.563 2.922 0 50 HFAA COCCn1c(CN2C[C@H](C)O[C@H](C)C2)cnc1S(=O)(=O)C1CCCCCC1 20454654 DFYHMKSPXPNPIB-CALCHBBNSA-N 413.584 2.635 0 50 HFAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 20454780 AOFZRSPIAAGDBQ-LJQANCHMSA-N 416.543 2.801 0 50 HFAA O=C(NCC1(N2CCOCC2)CCCCCC1)c1cn(CCc2ccccc2)nn1 20455058 SEKATPSLIAXBIN-UHFFFAOYSA-N 411.550 2.676 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC(=O)NC[C@@H]4C)co3)cc2c1 67884284 MDQUXYTYLHCVIQ-AWEZNQCLSA-N 409.442 2.766 0 50 HFAA COc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1OC 169772335 WBHAAMGORVFJLF-UHFFFAOYSA-N 410.396 2.911 0 50 HFAA COc1ccc(OC)c([C@H](C)NC(=O)CN2C(=O)N[C@H](C3(C)CCCCC3)C2=O)c1 170595696 YSQGKTCROCDJGP-LIRRHRJNSA-N 417.506 2.772 0 50 HFAA COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(O)n2cc(Cl)ccc2nc1=O 205976419 CSUPJEQBEWIFDD-ZDUSSCGKSA-N 410.817 2.692 0 50 HFAA O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]1[C@@H]4C(=O)O)[C@@H]32 239358367 NDQHCUSCDKVEEN-STDCODIRSA-N 401.465 2.545 0 50 HFAA CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2coc(-c3ccc(OC)cc3)n2)cn1 241965546 UTRRZYPNTAWSEF-VKGTZQKMSA-N 400.504 2.872 0 50 HFAA CN(CC[C@@H]1CCCCN1C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 252675342 TUPMVPLMHFKAQP-FPOVZHCZSA-N 403.542 2.940 0 50 HFAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1)CCO2 299771998 ZHHVTLRBTAFDBY-JOCHJYFZSA-N 409.530 2.800 0 50 HFAA Cc1ccc2nc(O)cc(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)c2c1 825206785 FVXMQVCSSVWYNE-BXBLUCELSA-N 404.474 2.713 0 50 HFAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506419102 XJHKFSWMRXNEKK-UHFFFAOYSA-N 415.874 2.881 0 50 HFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1529141472 FXGOUFMBYHXHRG-ZDUSSCGKSA-N 416.425 2.822 0 50 HFAA COc1cc(CN(C)CCn2cnc3ccccc32)cc(Cl)c1OCC(N)=O 1857676870 YAZRRPMNJAQYRM-UHFFFAOYSA-N 402.882 2.694 0 50 HFAA O=C(O)[C@H]1CN(Cc2cccc(F)c2)CC12CCN(CCCn1cccn1)CC2 1857693446 XEGYTOXIQUWMJQ-HXUWFJFHSA-N 400.498 2.711 0 50 HFAA O=C(c1ccc2ncccc2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857724562 HTEFMMWIWVBHTM-GOTSBHOMSA-N 418.497 2.544 0 50 HFAA Cc1nn(C)c2c1[C@H](NC(=O)c1c(OCc3ccccc3)c(=O)ccn1C)CCC2 2356139922 MQFGXAOWGWUGER-QGZVFWFLSA-N 406.486 2.814 0 50 HFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 1110877 ASFBZJLSWKPEKF-UHFFFAOYSA-N 406.504 2.888 0 50 HFAA O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(Cl)cc1Cl 4510552 GEWAHXKBYFERNY-UHFFFAOYSA-N 401.271 2.644 0 50 HFAA O=C(CSc1nnnn1-c1ccc(Cl)c(C(=O)O)c1)Nc1ccc(F)cc1 4581374 YFQGAYIXPZNNIE-UHFFFAOYSA-N 407.814 2.884 0 50 HFAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12050147 HSPLQBAUWPGXSO-QHCPKHFHSA-N 413.518 2.994 0 50 HFAA O=C1CC[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)CN1CCc1ccccc1 12710212 MDRRELOWNBIWNU-NRFANRHFSA-N 406.526 2.978 0 50 HFAA CCN1CCC(N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)CC1 14534248 FLJCOLSCVILCKQ-NRFANRHFSA-N 405.558 2.995 0 50 HFAA COc1cc(CNCCCC2CCCC2)ccc1OC[C@@H](O)CN1CCOCC1 15074413 MZIBCCLAUASFSY-NRFANRHFSA-N 406.567 2.827 0 50 HFAA COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 19537320 OWMXADUBWMSRTC-UHFFFAOYSA-N 400.475 2.759 0 50 HFAA CCN1CCC(N2CCC(Oc3cc(OC)ccc3C(=O)NC3CC3)CC2)CC1 20451122 FHNOZLSYKDSLHZ-UHFFFAOYSA-N 401.551 2.915 0 50 HFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@@H](C)CCc3ccccc3)CC2)cc1 55378632 DQEDIZYMZAAKKR-SFHVURJKSA-N 415.559 2.973 0 50 HFAA COc1cc2c(cc1NS(C)(=O)=O)[C@H](c1cccc3nsnc13)CC(=O)N2 65435057 QOZIVSFQBPNVLI-JTQLQIEISA-N 404.473 2.546 0 50 HFAA O=C(NCc1ccco1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760236 QOUMWVRCBKWDAM-UHFFFAOYSA-N 402.454 2.946 0 50 HFAA O=C(c1cccnc1O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777546 FKZQHPIENZPPGP-UHFFFAOYSA-N 417.429 2.573 0 50 HFAA COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1OC 169781378 SOTHMDLYVQKOCM-CQSZACIVSA-N 412.450 2.556 0 50 HFAA C[C@@H]([C@@H](C)N(C)C(=O)c1cc2c(F)cc(Br)cc2[nH]1)S(C)(=O)=O 170626434 XGERYQWTFVJIQJ-BDAKNGLRSA-N 405.289 2.963 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2cccc3[nH]ccc23)N=C1O 252519040 AUPVJANBLDYTJZ-GOSISDBHSA-N 406.442 2.873 0 50 HFAA CCOC(CN(CCc1ccccc1)C(=O)[C@@H](N)CC(=O)OC(C)(C)C)OCC 261507540 JREXEEVIWHXCAG-SFHVURJKSA-N 408.539 2.516 0 50 HFAA O=C1CO[C@@H](CNc2ccnc3ccccc23)CN1CC1CCN(CC2CC2)CC1 299784030 NYXYFUIVSZVCPV-FQEVSTJZSA-N 408.546 2.996 0 50 HFAA O=c1c2nnn(-c3ccccc3)c2ncn1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 725844050 KHTIUCNYXVDXGI-OAHLLOKOSA-N 417.347 2.609 0 50 HFAA CC(C)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 821483422 WRQHJRKYFACMCE-CQSZACIVSA-N 407.492 2.608 0 50 HFAA Cc1sc2nc(CCNC(=O)CC3=CSC4=NCCCN34)nc(O)c2c1C 827857602 BDPAVYYNYUDJAT-UHFFFAOYSA-N 403.533 2.712 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1 952968888 GCWGNYXCRXIFCU-QGZVFWFLSA-N 411.527 2.990 0 50 HFAA Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1ccc3ccccc3c1Br)C2 1309628604 WSPZKHSPWHBKAJ-GFCCVEGCSA-N 421.320 2.567 0 50 HFAA CN1CCC2(CCN(C(=O)c3c(N4CCOCC4)noc3-c3ccccc3)CC2)C1 1704337157 XMQMMAPLCRJQCU-UHFFFAOYSA-N 410.518 2.736 0 50 HFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)cc2F)C1 1857682304 INAWVFHOCYIDQB-QMHWCDLVSA-N 421.532 2.794 0 50 HFAA C[C@H](Nc1nc(N2CCN(S(C)(=O)=O)CC2)nc2ccccc12)c1ccccc1 810712 JFXSYJJCDCLNHT-INIZCTEOSA-N 411.531 2.885 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1)c1ccccc1 839556 USTLVBOTJNQINT-WOJBJXKFSA-N 402.516 2.686 0 50 HFAA COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N([C@@H](C)c3ccccc3)C2=O)c1 3612137 YPDNOLKVOHTGCF-BUXKBTBVSA-N 421.375 2.997 0 50 HFAA CCOc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 4028133 ILMNYYUTPUOERC-ROUUACIJSA-N 415.449 2.562 0 50 HFAA Cc1nc(N2CCC[C@@H]2C(=O)NCCSc2nccn2C)nc2ccc(F)cc12 11789585 SUAGRTGDNVPLPJ-QGZVFWFLSA-N 414.510 2.688 0 50 HFAA COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)c2ccc3ccccc3n2)c1 11980639 QPPLKYUOWGFTAH-YWZLYKJASA-N 403.438 2.882 0 50 HFAA Cc1c(C(=O)N(C)C2CCN(C)CC2)sc2ncnc(NC[C@@H]3CCCO3)c12 12079876 JLMGUCMMNQEZOL-HNNXBMFYSA-N 403.552 2.757 0 50 HFAA Cc1nnc2ccc(SCC(=O)N3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)nn12 12244715 DMJJRUMAHWAWGU-OAHLLOKOSA-N 411.466 2.904 0 50 HFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1 12301020 QVEZEYLDGISDKL-GOSISDBHSA-N 412.534 2.828 0 50 HFAA COCCc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 12456995 DCBILYAYHQAZLL-IBGZPJMESA-N 420.517 2.702 0 50 HFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 12464426 XEBFCSONVOMKIG-QGZVFWFLSA-N 405.458 2.714 0 50 HFAA CCOC(=O)CCNC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 12718847 WDJSWLBVNLMXEE-UHFFFAOYSA-N 403.523 2.800 0 50 HFAA COC(=O)c1cccc(CN2CCN(C(=O)c3ccccc3C(C)=O)CCC2=O)c1 14984991 HFCNWZLKUHWPKL-UHFFFAOYSA-N 408.454 2.551 0 50 HFAA Cc1c(O)nc(-c2ccc(CN3CCN(C)[C@@H](CCO)C3)cc2)nc1C(F)(F)F 23399086 ISBNVMUXTPFXPW-INIZCTEOSA-N 410.440 2.675 0 50 HFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1 65363641 XPDAATYKDTZCMZ-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA O[C@@H]1CN(c2ncccc2Cl)CC[C@H]1N1CCN(CCc2ccccc2)CC1 71764479 ZQPKNCBMDBVPLV-NHCUHLMSSA-N 400.954 2.535 0 50 HFAA C[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1cccc2ccccc12 72441416 NSMQWOMEEYHHBY-YLJYHZDGSA-N 417.575 2.653 0 50 HFAA CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C 202612784 SLEOLGDRIBNQDV-UHFFFAOYSA-N 420.547 2.866 0 50 HFAA CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc3cc(OC)ccc3[nH]2)cc1 225548098 RVZFUIMSVLDIFH-GFCCVEGCSA-N 403.460 2.788 0 50 HFAA COc1ccccc1CNC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 242164705 WXDHJAUTXXRYBU-ZACQAIPSSA-N 404.532 2.608 0 50 HFAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245312510 VGALMWHJMZRZSC-GSRZOBFVSA-N 419.456 2.874 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 248317511 MZSUUEUZRZOAQA-ZWKOTPCHSA-N 402.491 2.539 0 50 HFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)NCCOCC(F)F)CC2 472028186 DOFXASROZJLQRK-MRXNPFEDSA-N 415.506 2.942 0 50 HFAA Cc1cc(NC(=O)CN(Cc2ccccc2)C(C)(C)C)n([C@H]2CCS(=O)(=O)C2)n1 474827630 AUAURGIZAGPPPW-SFHVURJKSA-N 418.563 2.790 0 50 HFAA Cc1c(Cl)ccc(S(=O)(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1Cl 1704297291 KXODLWHOQREHLL-PBHICJAKSA-N 421.346 2.861 0 50 HFAA O=C(O)c1ccccc1CCC(=O)N1CC[C@H](Cn2cc(-c3cncs3)nn2)C1 1875326341 HBSQOPGVIRITGB-AWEZNQCLSA-N 411.487 2.581 0 50 HFAA Cn1cnc2cccc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@H]4CC4(C)C)CC3)c21 2332238561 CQDZTUPJCPQJQP-BCOMRZATSA-N 416.547 2.848 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 4674986 OXJAFTBEONSMSA-SFHVURJKSA-N 416.455 2.564 0 50 HFAA CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 4993496 MVZKTSZXWPJALW-UHFFFAOYSA-N 404.507 2.928 0 50 HFAA CCCCn1c(CN2CCC[C@@H](C(N)=O)C2)cnc1S(=O)(=O)CCCC(C)C 11820436 XNVRSSAWFFICMY-QGZVFWFLSA-N 412.600 2.590 0 50 HFAA COc1cccc(CN2CCC[C@@H](NC(=O)c3cccc(N4CCNC4=O)c3)C2)c1 19147016 DUSRKZYOEWUNBM-LJQANCHMSA-N 408.502 2.619 0 50 HFAA O=C(c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1)N1CCSCC1 20364076 NOTWKTMSFMMAHM-QPJJXVBHSA-N 412.559 2.695 0 50 HFAA COc1ccc(CNC2CCCCCCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20998835 TVDGWIZMDXNYNM-QFIPXVFZSA-N 419.610 2.885 0 50 HFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nn2)n1 65362664 RJUFUHKZORSWCB-UHFFFAOYSA-N 413.432 2.911 0 50 HFAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCC(CO)CC1 71440416 DEVWWPRKTQOCNN-UHFFFAOYSA-N 412.559 2.915 0 50 HFAA O=C(NCc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 72436984 SOKZLERTWNJGRD-UHFFFAOYSA-N 408.470 2.823 0 50 HFAA CCc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n2ncnc2n1 301471852 UBCCDMUDVVMNTE-HNNXBMFYSA-N 402.405 2.896 0 50 HFAA C[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ccccc1-n1cccn1 670439678 BJVDDPSQCFBNGP-QGZVFWFLSA-N 403.486 2.997 0 50 HFAA O=C(Cc1c(F)cccc1Cl)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670448422 ARINLJPOPIUHLY-HESYMAFGSA-N 413.924 2.705 0 50 HFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@H](c3cccc4ccccc34)C2=O)c1 771801497 LNTOFWXYKIVSSY-LJQANCHMSA-N 409.467 2.888 0 50 HFAA Cc1cccc(-c2ncc(CN3CCC(CNC(=O)c4cnccn4)CC3)cn2)c1 825224747 AAGXHCKQTQPYNG-UHFFFAOYSA-N 402.502 2.884 0 50 HFAA COCCNc1nc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)ccc2n1C 1506415952 RPTVKWRYLSJRIF-KRWDZBQOSA-N 421.501 2.762 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1ccsc1)C2 1857687503 UWVBCZPWFUYOFS-WOIUINJBSA-N 420.575 2.573 0 50 HFAA COc1cccc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)c1OCCCN(C)C 1857701014 NXKOOVDMAGBXDA-KRWDZBQOSA-N 412.534 2.900 0 50 HFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCc4cn5cccnc5n4)C3)nc2c1 1857717111 WNEDOYNYHIIGRV-OAHLLOKOSA-N 420.473 2.802 0 50 HFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2cccc3c2CCC3=O)CCCCN1 2100533675 DODJXIYCJLGLHS-SFHVURJKSA-N 411.546 2.802 0 50 HFAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1nnn(-c2cccc(F)c2)c1C1CC1 2325704955 IWSWTDZGEKWASD-UHFFFAOYSA-N 403.421 2.598 0 50 HFAA Cc1cc(NC(=O)C(=O)NCc2noc(-c3ccccc3)c2C)cc(C(=O)N(C)C)c1 2325818977 JPESVASELWQUBQ-UHFFFAOYSA-N 420.469 2.915 0 50 HFAA COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2C2=NN(c3ccccc3)C(=O)C2)cc1 5527113 MADLDRDRFLWQSC-DEOSSOPVSA-N 419.505 2.891 0 50 HFAA Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 6467791 PPFLBNJHUWBBMG-UHFFFAOYSA-N 424.482 2.940 0 50 HFAA C[C@@H](CO)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12149265 JPRURNJAYFRSEZ-AWEZNQCLSA-N 403.486 2.806 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)NC(C)C 13680617 NNGZZWNBHGNTAM-UHFFFAOYSA-N 405.476 2.593 0 50 HFAA CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cnn(C)c3)CC2)C1=O 14733503 NIBGIQUUVYDCDQ-UHFFFAOYSA-N 423.561 2.918 0 50 HFAA CCc1cc(C(=O)N2CCC[C@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)on1 19781830 ACPXZWJGLMJETA-LBPRGKRZSA-N 400.464 2.657 0 50 HFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN([C@H]1CCSC1)CC2 20203615 HRNBKRUDRKWQCH-IBGZPJMESA-N 417.575 2.827 0 50 HFAA COc1ccc(CNC2CCCCCCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20998837 TVDGWIZMDXNYNM-JOCHJYFZSA-N 419.610 2.885 0 50 HFAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169619767 XAHTVKKXHADIMC-CZYKHXBRSA-N 420.509 2.798 0 50 HFAA Cc1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169777960 RYGHMGGESOFWGY-GFCCVEGCSA-N 408.340 2.622 0 50 HFAA COc1ccc(Nc2nc(N(C)CC[C@@H](C)O)cc(N(C)CC[C@@H](C)O)n2)cc1 239367106 AHNCQXXSSCFXKW-HZPDHXFCSA-N 403.527 2.643 0 50 HFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NC3CCCCCC3)N=C2O)cc1OC 252549041 QQIDHOMXKIJHOO-QGZVFWFLSA-N 417.506 2.600 0 50 HFAA CN1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 299783368 YMGZQQWQEAWHAU-UGKGYDQZSA-N 400.482 2.620 0 50 HFAA O=C(CCC(=O)N1CCO[C@H](c2ccccc2)C1)N1CCO[C@@H](c2ccccc2)C1 334160819 MYQCPNDKKAVRNP-SZPZYZBQSA-N 408.498 2.967 0 50 HFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 428121106 MFSLBIDYXMXODT-ZRBXUZRCSA-N 407.458 2.902 0 50 HFAA COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c3ccccc3)C1=O)CC2 886025150 ALCJMPQXJKFHLG-ZWKOTPCHSA-N 423.469 2.713 0 50 HFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@@H](OCc2ccccn2)C1 1506421220 HCCQWVNMWSXNFQ-LJQANCHMSA-N 406.486 2.780 0 50 HFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c1 1529187304 RIPLEKLIYQTQFF-FQEVSTJZSA-N 403.486 2.930 0 50 HFAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 1772501705 ZTQPCDAGNHDGLP-NTKDMRAZSA-N 412.530 2.735 0 50 HFAA CN(C(=O)[C@H]1C[C@@H](n2cnnc2)C1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1 2325872653 IGMVUQNSTLJODG-FEMAAJBASA-N 411.550 2.646 0 50 HFAA Cc1cccc2nc(C(=O)N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)c(F)n12 2356157668 QBSXCXZADZBEEE-JOCHJYFZSA-N 408.481 2.758 0 50 HFAA O=C(c1cc(CO)ccn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356158797 ZSUAONXHXLIZPH-QTEQDKRBSA-N 415.493 2.779 0 50 HFAA COc1ccc(CCNC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1OC 955332 FTQOETJXTINDOG-UHFFFAOYSA-N 414.889 2.898 0 50 HFAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 1076545 IZTMGRLWYFVGAE-CABZTGNLSA-N 422.890 2.519 0 50 HFAA Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)n1 11844274 UZOAEACLHGRTEA-FQEVSTJZSA-N 413.566 2.561 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)CC1 12200728 CQHWTHRSBSNVRZ-UHFFFAOYSA-N 414.527 2.963 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1Cc1ccccc1 12301285 FFOPHEHBEDSHLW-UHFFFAOYSA-N 405.564 2.974 0 50 HFAA O=c1c(CN[C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1CCc1ccccc1 12470407 OLEMRYJYLLXDGN-HXUWFJFHSA-N 414.502 2.660 0 50 HFAA O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 12597542 RKUBJLJPEOFHBM-INIZCTEOSA-N 401.536 2.561 0 50 HFAA Cc1nc(CNC(=O)Cn2cc(NC(=O)CSc3ccccc3)cn2)cs1 15001204 HZYGUENPWIETNS-UHFFFAOYSA-N 401.517 2.695 0 50 HFAA CCCCn1c(CN2CCCN(C=O)CC2)cnc1S(=O)(=O)CCCC(C)C 19595369 YIYLNUSWNWCDLY-UHFFFAOYSA-N 412.600 2.557 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1OC 23374542 NDZIXFTZRHNKQL-FQEVSTJZSA-N 418.509 2.920 0 50 HFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)CC1 55306837 BMGOYNXHUXZZLH-RQWLHQTBSA-N 406.530 2.917 0 50 HFAA CCn1cc(CNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)cn1 92096680 LWFCPDJVPZGDHF-UHFFFAOYSA-N 406.273 2.814 0 50 HFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 168068534 VZJGNOPVKAXTPB-KNOXWWKRSA-N 402.494 2.945 0 50 HFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)cc2)CC1 170603896 GMUJRKNTFSIFHA-INIZCTEOSA-N 423.579 2.987 0 50 HFAA Cc1cc(S(=O)(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)sc1C 170609133 GBYANDXHICFMAR-UHFFFAOYSA-N 407.561 2.863 0 50 HFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2nn3cc(C(C)(C)C)nc3s2)C1 328606182 QRNYJCYZDLKJRR-LBPRGKRZSA-N 401.540 2.897 0 50 HFAA O=C(Nc1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 466051862 DPMRRXHNBMLZEQ-MRXNPFEDSA-N 411.853 2.633 0 50 HFAA Cc1ncnc(N2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1C 952990258 LSTSLLNCSOLPIB-UHFFFAOYSA-N 404.474 2.983 0 50 HFAA C[C@@H]1CCCCN1CCOc1ccccc1C(=O)Nc1csc(S(N)(=O)=O)c1 1302684419 OLMYOKJVNXLEMU-CQSZACIVSA-N 423.560 2.901 0 50 HFAA COc1cccc2c1OC[C@H](C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2 1772705965 NMJXYCKREYOUKA-LJQANCHMSA-N 400.519 2.888 0 50 HFAA CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cc(OC)cc(OC)c1 1848444030 CXYIBAAYWCEYBP-UYAOXDASSA-N 401.415 2.673 0 50 HFAA O=C(NCCn1ncc2ccccc2c1=O)NC[C@H](O)c1cc2ccccc2s1 1875261073 FRALLBHXYKLZJC-KRWDZBQOSA-N 408.483 2.644 0 50 HFAA C[C@@H](NC(=O)[C@@H](Cc1cn(-c2cncc(C(=O)O)c2)nn1)C1CC1)c1cccc(F)c1 1875327103 RBWFGQOMOOSNKK-XCLFUZPHSA-N 423.448 2.946 0 50 HFAA Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1875340052 JIVLVVGDUNBAAL-ANULTFPQSA-N 408.550 2.962 0 50 HFAA O=C(CCCN1CCCC1)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197809 STBCWIBCZRBQMZ-NZQKXSOJSA-N 402.535 2.550 0 50 HFAA COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccn2)sc2c1CCCCC2 2325853186 GVARFRUYAOYYBJ-UHFFFAOYSA-N 408.501 2.611 0 50 HFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccnc3c2nc(C)n3C)CC1 2356137400 XATJOLJHZXQAAO-UHFFFAOYSA-N 406.486 2.990 0 50 HFAA O=C1CN(c2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cc2)C(=O)N1 2356141746 OAYNDRDJYHWMDF-UHFFFAOYSA-N 411.483 2.509 0 50 HFAA CCc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 1094384 QPGHDJVYESWRPA-IBGZPJMESA-N 402.516 2.740 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(C)c2)cc1 1169844 UUUYDPWCTWQFHF-LJQANCHMSA-N 402.516 2.794 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCC(=O)Oc2ccc3ccc(=O)oc3c2)cc1 5543926 FZZAQAOTXWUBDR-UHFFFAOYSA-N 401.440 2.766 0 50 HFAA O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11819197 IJDMHUXFJXAQET-KRWDZBQOSA-N 408.477 2.842 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 11937132 IKBQJVKGIVQRCU-UHFFFAOYSA-N 411.893 2.951 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 12197825 KTFUVVUOYKNKAS-NRFANRHFSA-N 403.542 2.988 0 50 HFAA COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1cccnc1 12468402 ISQUMKGZXXMUIE-FQEVSTJZSA-N 420.473 2.534 0 50 HFAA O=C(CC[C@H]1CCCN(C(=O)CCn2cncn2)C1)NCc1ccccc1Cl 15069368 HIHZORUVCCWUGW-MRXNPFEDSA-N 403.914 2.657 0 50 HFAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 19289283 OIOCJEHXWMORDK-UHFFFAOYSA-N 416.334 2.685 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1 20345188 FNUGYQGBKBHGQT-UHFFFAOYSA-N 401.422 2.691 0 50 HFAA Cc1ccccc1N1CCN(c2ncccc2CNc2cc(C(N)=O)ccn2)CC1 67604586 SICSQKZZDNVTAP-UHFFFAOYSA-N 402.502 2.823 0 50 HFAA CCOC(=O)C(Cc1ccccc1)(CN1C(=O)c2ccccc2C1=O)C(=O)OCC 71769583 DCWPLYXAIUAPOY-UHFFFAOYSA-N 409.438 2.638 0 50 HFAA Cc1cccc([C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 72442049 CHPVSHKIHVAWGP-SFTDATJTSA-N 415.559 2.719 0 50 HFAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@H](C)CC4)[nH]c3=O)nc2s1 77564995 MCCMXWNTIIOCEH-AWEZNQCLSA-N 413.547 2.945 0 50 HFAA CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(F)c(F)cc1NC(C)=O 225522659 LBPSFPSUBVCEMI-NSHDSACASA-N 401.410 2.792 0 50 HFAA CC(C)Oc1cccc([C@@H](C)Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c1 468702232 ZDBDNKWIAQGHBP-MRXNPFEDSA-N 417.531 2.913 0 50 HFAA Cc1ccc(C(=O)N[C@@H](C(=O)N2CCS(=O)(=O)c3ccccc3C2)C(C)C)cc1 477264606 NRIWGJMYBHTMPO-HXUWFJFHSA-N 414.527 2.566 0 50 HFAA CCc1ccccc1C(=O)N1CCC[C@@]2(CN(Cc3nccn3CC)CC[C@H]2O)C1 1857707245 KBWVCYLTYMHPAG-ZJSXRUAMSA-N 410.562 2.955 0 50 HFAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cc1O 1857737113 XXCYAGXYCXBDJW-ABSDTBQOSA-N 402.878 2.998 0 50 HFAA CCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2c1ccc(S(C)(=O)=O)cn1 1857738173 VEVYVVBCGYCEOP-LZNRXBQRSA-N 413.543 2.591 0 50 HFAA C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CCN1c1ccccc1F 1875262047 FYLYBCMPAYJWKY-UZLBHIALSA-N 404.507 2.519 0 50 HFAA CC(C)N1CCC[C@H]1CC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCCN1C(C)C 2325727899 FJFPHRCTASBSIB-SFTDATJTSA-N 408.631 2.819 0 50 HFAA CCc1ccc2cc(C(=O)NC[C@]34CC[C@H]3CN(C(=O)/C=C/[S@@](C)=O)C4)[nH]c2c1 2325872470 ZBKAGXYODRMEQM-KLYQVGPCSA-N 413.543 2.591 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccccc3-n3cncn3)CC1)OCC2 2356154551 ZWEAONPEBQPXJO-UHFFFAOYSA-N 404.470 2.980 0 50 HFAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 1179083 HIXTVQNWTQCWHU-UHFFFAOYSA-N 410.879 2.840 0 50 HFAA CCOc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2ccc(C)cc2)cc1 2962238 QLKLICSUIRDTKE-UHFFFAOYSA-N 420.531 2.742 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 4197235 RIYJYWXHOKJOIM-UHFFFAOYSA-N 411.458 2.862 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccccn1 11821524 VQDRRUOUNULBEV-QHCPKHFHSA-N 414.509 2.756 0 50 HFAA O=C(NC[C@H]1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)O1)c1ccccn1 12036332 PYIUKGBFEJPPIK-LJQANCHMSA-N 411.477 2.733 0 50 HFAA COCCNC(=O)c1sc2ncnc(NC[C@H]3COc4ccccc4O3)c2c1C 12244498 DBSZSPGYWQCUJN-ZDUSSCGKSA-N 414.487 2.628 0 50 HFAA CN1CCC(NCc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 12441283 MKAWCUKULUHCNG-UHFFFAOYSA-N 411.575 2.894 0 50 HFAA CCN(Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 12449524 AXCOBDVEJHAGPM-SFHVURJKSA-N 417.531 2.543 0 50 HFAA O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12455086 KPWKQTRQZPHGPF-KRWDZBQOSA-N 402.441 2.941 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)NCCN(C)CCc2ccccc2)CCC1=O 12703139 UMURCEOUBGGWFR-QFIPXVFZSA-N 423.557 2.725 0 50 HFAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NCC[C@H](C)O)cnc21 14751926 YBCWDCRJDDEDIR-AWEZNQCLSA-N 420.510 2.637 0 50 HFAA O=C(CN1CCCC1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 14963622 STMBSWMDJYLSAJ-KRWDZBQOSA-N 403.954 2.822 0 50 HFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4nonc4C)C3)C2)c1OC 14973029 AAPDWRNQFLASNZ-NRFANRHFSA-N 400.479 2.524 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cnc(C)cn1 14980798 WPMGKLPHZIJCOO-UHFFFAOYSA-N 400.498 2.925 0 50 HFAA CC[C@@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 14986666 COZWZOUXEXQADF-QGZVFWFLSA-N 403.486 2.806 0 50 HFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccccc2)[C@@H](CCO)C1 19840151 CLOBPOTUNMFWHZ-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860852 WLHNHXGMRQEJDU-MRXNPFEDSA-N 407.923 2.593 0 50 HFAA O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(N2CCOCC2)cc1 19881070 SKAURIYKRZYAOX-MHZGPWMTSA-N 409.530 2.714 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19889610 MXDUXOYMQRHQOL-QFIPXVFZSA-N 407.514 2.971 0 50 HFAA CCNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)nc(C)n1 65363905 RTIWSJUEMLTFTL-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 67622241 FMBQONHBUIVOLD-UHFFFAOYSA-N 413.971 2.729 0 50 HFAA COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 72446635 KUFUSEYCWPJDMF-UHFFFAOYSA-N 417.531 2.500 0 50 HFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CNC(=O)OCc3ccccc3)O2)cc1 141518454 HROZDXDOCLQLLR-ZSTWQFLISA-N 418.449 2.734 0 50 HFAA O=C(c1cc(F)ccc1F)N1CCC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777739 OFKPNYJFMAABPR-ZDUSSCGKSA-N 400.389 2.961 0 50 HFAA CC(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)Oc2ccccc21 729459831 AVOUXBANGFXQMK-JOCHJYFZSA-N 407.514 2.924 0 50 HFAA CCc1c(C)nn(CC(=O)NCC2CCN(Cc3nnc(C(C)C)o3)CC2)c1C 1506420115 UWDYBRUUCNDOML-UHFFFAOYSA-N 402.543 2.597 0 50 HFAA CN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704327421 SPWAKIWTCMQDLL-ZIFCJYIRSA-N 417.937 2.565 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccon4)C3)c3cccc(=O)n32)c1 2356140700 OSRKZMYVRMDWCH-WWMYMODYSA-N 405.454 2.888 0 50 HFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2cccs2)c(OC)c1 844439 SAEYZIWSKWETMU-INIZCTEOSA-N 402.428 2.777 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCOC 2201337 IZFCEKSJTGVCQB-QHCPKHFHSA-N 404.422 2.505 0 50 HFAA COc1ccc(N(CC(=O)NCCSC)S(=O)(=O)c2ccc(C)cc2)cc1 2829883 MJEBNFWRMHCZTF-UHFFFAOYSA-N 408.545 2.678 0 50 HFAA COC(=O)c1cc(NC(=S)NC(=O)c2cccc(C)c2OC)cc(C(=O)OC)c1 4759866 PZOUPGWDSPMKON-UHFFFAOYSA-N 416.455 2.704 0 50 HFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCOCC1 11874629 WXPFLWQTBYSCLW-LJQANCHMSA-N 405.558 2.855 0 50 HFAA Cc1ccccc1CCN1CCC(CN(C(=O)Cn2cnnn2)C2CCCC2)CC1 11952768 IYDRMIAPUMYZDW-UHFFFAOYSA-N 410.566 2.707 0 50 HFAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)O1 12160032 BZBYOPNUIRIOKR-INIZCTEOSA-N 404.461 2.642 0 50 HFAA COCCN1CCC(CN(Cc2nc3ccccc3n2C)C[C@@H]2CCCO2)CC1 12199085 KZQAFJUPLHOSAK-FQEVSTJZSA-N 400.567 2.913 0 50 HFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12303253 LBSJBAJWABINHE-QGZVFWFLSA-N 421.476 2.708 0 50 HFAA CCc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1 12413509 CCXVVYASQBDYON-UHFFFAOYSA-N 400.438 2.749 0 50 HFAA COC(=O)[C@@H](NC(=O)[C@@H]1CCCN1c1nc(C)c2ccccc2n1)c1ccccc1 14986878 IMQHIRVQIJUSPV-PMACEKPBSA-N 404.470 2.938 0 50 HFAA Cc1nonc1CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 19641627 NAOIUDIWHPEMMC-UHFFFAOYSA-N 404.474 2.930 0 50 HFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3ccccn3)C2)CC1 61969730 LGNHGSHGVADBPR-NRFANRHFSA-N 408.546 2.836 0 50 HFAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)n1 72437602 DLZWIOYEIFRZKI-UHFFFAOYSA-N 409.943 2.819 0 50 HFAA NC(=O)N[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cccc(Br)c1 230134844 DCOCYHUVZUXNCL-BZUAXINKSA-N 410.312 2.719 0 50 HFAA CN1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 230168332 HCKYPAXWOZPWRV-MOPGFXCFSA-N 400.910 2.955 0 50 HFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1 245238311 JLYNOMVNFPMSSJ-RVKKMQEKSA-N 412.339 2.938 0 50 HFAA Cc1ccc(C[C@]2(CCC(=O)N3CCN(Cc4cccnc4)CC3)CCC(=O)N2)cc1 299798739 UMFINUBROYOJSO-RUZDIDTESA-N 420.557 2.706 0 50 HFAA Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1C 751278752 JKSIGSQQJWUFRO-UHFFFAOYSA-N 408.451 2.778 0 50 HFAA Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 828135215 ARJPTXFFCHQOCS-INIZCTEOSA-N 403.552 2.990 0 50 HFAA O=C(O)CC[C@]12CN(Cc3ccc4c(c3)OCO4)C[C@H]1CN(Cc1nccs1)C2 1772707401 SGHYSCQELRYPLK-HRAATJIYSA-N 415.515 2.671 0 50 HFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 2100534351 DTIVXXKSEXNFOZ-TZRIAGMCSA-N 402.564 2.920 0 50 HFAA COc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 1142659 VVXQJVZZGCFIQL-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA Cc1ccn2c(CNCCOc3nonc3C)c(C(=O)N3CCCCCC3)nc2c1 11935129 VLOLSTSNQZYRIR-UHFFFAOYSA-N 412.494 2.519 0 50 HFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc(OC)c1 12195566 SYXSGFHPWXNFCF-QGZVFWFLSA-N 414.506 2.866 0 50 HFAA COc1ccccc1N1CCN(C(=O)c2cn(CCCc3ccccc3)nn2)CC1 12387738 AGGASTOFBKJCKO-UHFFFAOYSA-N 405.502 2.882 0 50 HFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)CCc1ccccc1OC)CC2 14744370 JCJLAQRZHGEIET-UHFFFAOYSA-N 411.502 2.996 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 14744689 YJDPCCOBRWNGCV-HNNXBMFYSA-N 406.502 2.534 0 50 HFAA CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCC1 16651260 IUGFFWICTOQNQX-UHFFFAOYSA-N 405.545 2.908 0 50 HFAA CCN(CC)S(=O)(=O)c1csc(C(=O)N2CCN(c3ccccc3)CC2)c1 16651930 BLMSRYKYABPSPI-UHFFFAOYSA-N 407.561 2.741 0 50 HFAA CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1(N2CCOCC2)CCCCC1 20601545 LBSZVGMMVDPTIZ-UHFFFAOYSA-N 414.506 2.932 0 50 HFAA CCOC(=O)[C@@H]1CCCCN1Cc1cc(I)c(O)c(OC)c1 23281558 CLGCLSBAHPQTQA-ZDUSSCGKSA-N 419.259 2.923 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2C(F)(F)F)n1CCOC 55042190 QTFDKCQRWVMGPV-UHFFFAOYSA-N 419.469 2.974 0 50 HFAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccoc3)[C@@H]4C2=O)c1 77458158 TVUXCICLSZWFAT-JCUDRXCFSA-N 406.482 2.837 0 50 HFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 170620704 BQWCEMRLWUZVAK-KRWDZBQOSA-N 400.504 2.589 0 50 HFAA COCCn1cc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)c2ccccc2c1=O 170625099 BUYZOZBJGPAJFB-UHFFFAOYSA-N 419.441 2.694 0 50 HFAA CCn1cc([C@H]2C[S@@](=O)CCN2Cc2coc(-c3ccc(OC)cc3)n2)cn1 225412242 UTRRZYPNTAWSEF-GDJIYFAZSA-N 400.504 2.872 0 50 HFAA Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1 225433262 ZSGUDZNQDSPWJW-RBBKRZOGSA-N 407.514 2.506 0 50 HFAA COc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239165051 NJODFZJMBFAOBI-NQLMQOPMSA-N 420.387 2.601 0 50 HFAA COc1ccccc1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 253412624 ROLNIKUSFKSQFW-SESVDKBCSA-N 413.562 2.767 0 50 HFAA biogenic O=C(CN1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1)N=c1nc(C2CC2)[nH]o1 328608169 YJNISAWYZYFOGC-OAHLLOKOSA-N 412.425 2.724 0 50 HFAA C[C@H]1Cc2cc(C(=O)NC3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2O1 426491071 PGHPYZHAIGBLTH-HNNXBMFYSA-N 400.500 2.593 0 50 HFAA COc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cc1C(=O)N(C)C 824699838 ZBXXTPRTRLXDCN-IWENEADUSA-N 423.517 2.923 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3cccc(-c4ccc(C)o4)c3)C[C@]2(CO)C1 1772805707 REYJYYWYOQHMPA-DENIHFKCSA-N 400.544 2.871 0 50 HFAA CC[C@@]1(C(=O)NCc2cnn(C)c2C)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccsc1 1857672677 WSWHYYCOMVFBLQ-WAOWUJCRSA-N 400.548 2.809 0 50 HFAA COc1cccc(OCc2nc(-c3cccnc3N(C)C)n(-c3cnn(C)c3)n2)c1 1857678508 ZFURXBRUERZWGC-UHFFFAOYSA-N 405.462 2.716 0 50 HFAA Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2ccccc12 1135767 RHBHSSATSWYCRG-UHFFFAOYSA-N 404.470 2.970 0 50 HFAA CC[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 2812497 GJSNRPPSXZCLHF-HNNXBMFYSA-N 406.504 2.814 0 50 HFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C 14733587 OFLXZHIRWPKOGW-SFHVURJKSA-N 417.550 2.985 0 50 HFAA CCc1c(C)sc2[nH]c(=S)n(NC(=O)COc3ccc4c(c3)OCO4)c(=O)c12 17091836 QZARYYFXTWNXTD-UHFFFAOYSA-N 419.484 2.869 0 50 HFAA C[C@@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N1C(=O)c2ccccc2C1=O 19808908 TVAHUHOHRAJUIA-HNNXBMFYSA-N 411.889 2.669 0 50 HFAA CCn1nccc1-c1cc(C(=O)O)c2c(=O)nc(S)n(-c3ccccc3OC)c2n1 20604310 IWZZUYPRKPEBJB-UHFFFAOYSA-N 423.454 2.660 0 50 HFAA O[C@H]1CN(Cc2cccc(-c3ccco3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 20782308 HBEDKIBAVHTYMG-VXKWHMMOSA-N 404.514 2.709 0 50 HFAA COc1cccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 85894236 SRYDPTASCFCRIX-OUZREKFBSA-N 405.498 2.658 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C3=C2C(=O)OC3)cc1 169758973 NFUODJVCSFFIEG-QFIPXVFZSA-N 417.465 3.000 0 50 HFAA CCc1nc(-c2c3n(c(=O)n(Cc4cc(F)cc(F)c4)c2=O)CCCCC3)no1 169774641 KOSYPAIKKILILY-UHFFFAOYSA-N 402.401 2.675 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 169779621 KORUUTSQCZLGGR-UHFFFAOYSA-N 408.458 2.580 0 50 HFAA COc1ccc(-c2noc(CN3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC 170591267 ROWKYNUBEUMJSZ-SJORKVTESA-N 413.478 2.575 0 50 HFAA COc1ccc(CN2C(=O)O[C@H]3CN(C(=O)NC4CCCCC4)C[C@H]32)cc1OC 209787149 GRTRTZQUHMPXBG-APWZRJJASA-N 403.479 2.751 0 50 HFAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 253425497 OKXYEVFRFBZABR-HNNXBMFYSA-N 420.441 2.796 0 50 HFAA O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@@H]1CCCN(c2ccccn2)C1 299800411 WEKOGMHVWGFBSF-RTBURBONSA-N 415.497 2.875 0 50 HFAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 480402860 HKLNJYKWPOJNTL-FQEVSTJZSA-N 424.520 2.645 0 50 HFAA COC(=O)[C@H](CNC(=O)c1ccc(Br)c(O)c1)Cc1ccc(O)cc1 485122280 NYMDLGIWNMHWSB-ZDUSSCGKSA-N 408.248 2.622 0 50 HFAA O=C(CCn1cnc2ccccc21)N1CCN(c2nnc(C(F)(F)F)s2)CC1 547949580 SUWVKZGXSBHNHD-UHFFFAOYSA-N 410.425 2.646 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)c1C 1506428547 QWGLYUJDTQTWHT-LSDHHAIUSA-N 415.471 2.521 0 50 HFAA O=C([C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCN(CCCCO)CC1 1857700688 JXLMSRHYOPIVNA-MRXNPFEDSA-N 420.941 2.614 0 50 HFAA C[C@H]1CC2(CO1)CC(NC(=O)C(=O)NC[C@@H](C)c1ccc(Br)cc1)C2 1875330764 ZHLIDYMGLLJVQB-NQJVMHJJSA-N 409.324 2.743 0 50 HFAA COCCCn1cc(-c2cccc(C(=O)N[C@H](C)C(C)(C)C(=O)O)c2Cl)nn1 1875354503 YFHLDEYGDUKCKY-GFCCVEGCSA-N 408.886 2.864 0 50 HFAA O=C(C[C@H]1CNc2ccc(Br)cc21)N[C@@H]1C(=O)NCc2ccccc21 2325860580 LXVHFQUTHBHXQC-SGTLLEGYSA-N 400.276 2.836 0 50 HFAA C[C@@](O)([C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O)C(F)(F)F 2325877452 RKLSTVUTXOWUQG-IUODEOHRSA-N 422.812 2.889 0 50 HFAA CCOc1ncccc1C(=O)N=c1[nH]nc(Cc2ccc(OC)c(OC)c2)s1 2356136512 XUCADERISOBLMQ-UHFFFAOYSA-N 400.460 2.614 0 50 HFAA CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@H](Cc4ccccc4)C(=O)O)ccc1c23 816449 TXSBMLZDZBAKCN-QGZVFWFLSA-N 424.478 2.794 0 50 HFAA Cc1csc2[nH]c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(=O)c12 4810584 PNLZONQUGHLSPS-UHFFFAOYSA-N 400.529 2.734 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc(Cl)cc3OC)on2)CC1 11813398 VUGUPSCPJHSQHO-UHFFFAOYSA-N 423.853 2.830 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 12437547 GBFZFUHGTVCVGS-HSZRJFAPSA-N 418.585 2.800 0 50 HFAA CCN1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 13611699 UUISCHRTVBITKG-QGZVFWFLSA-N 410.518 2.857 0 50 HFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 14531581 GFBJCXUBKISHHN-IBGZPJMESA-N 414.525 2.798 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3cccc(OC)c3)cc12 14535361 VKIKSYRSHBABMK-UHFFFAOYSA-N 412.446 2.566 0 50 HFAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)CN1CCC(O)CC1 14974155 FMCJJYBORPIZNJ-UHFFFAOYSA-N 407.986 2.510 0 50 HFAA O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860856 QCACSWVPFSOLDX-QGZVFWFLSA-N 407.923 2.593 0 50 HFAA O=C(NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)c1ccccn1 20207139 XQDKVVJHQBEJKK-UHFFFAOYSA-N 412.497 2.815 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3cccc(Cl)c3)C[C@H]2C(=O)NCC)CC1 23374116 QSGOTMRCLCCTDU-CTNGQTDRSA-N 407.002 2.883 0 50 HFAA Cc1ccc(OCCCN(C)C(=O)c2cnc(N3CCN(C)CC3)nc2C)cc1C 55099036 LXYZWPSSHQXING-UHFFFAOYSA-N 411.550 2.695 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 65364084 GZIJFZRVIIUOQV-UHFFFAOYSA-N 417.531 2.564 0 50 HFAA CC(=O)c1cccc(NC(=O)CCc2nnc3ccc(-n4nc(C)cc4C)nn23)c1 67630431 GNAYXDNSGOXHNI-UHFFFAOYSA-N 403.446 2.701 0 50 HFAA Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1Cl 72115870 JDVGWBGWJVTJRK-UHFFFAOYSA-N 416.913 2.629 0 50 HFAA O=C1C[C@@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 104442453 KISXTBROSIXNJB-YFBXQHAESA-N 421.472 2.819 0 50 HFAA Cc1cccc(CN2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2CCO)n1 104840954 IBPQXUXNDWRKMK-HSZRJFAPSA-N 409.509 2.784 0 50 HFAA CN(C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCCC[C@H]1O 106237785 DWSGHEPUCZLNOL-NHCUHLMSSA-N 416.543 2.883 0 50 HFAA COc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1OC 169777281 PIDALLUJKZORRV-UHFFFAOYSA-N 410.474 2.889 0 50 HFAA O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(Cl)c(Cl)c1 170592206 QJZXKAUUROZYJG-UHFFFAOYSA-N 400.287 2.876 0 50 HFAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CNC(=O)OCc5ccccc5)(O4)[C@@H]3C2=O)cc1 223988930 HROZDXDOCLQLLR-FDGPYGQJSA-N 418.449 2.734 0 50 HFAA COC(=O)[C@@H](CC(F)(F)F)NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 225609080 IKQMBYQBGKQKLA-CQSZACIVSA-N 415.364 2.653 0 50 HFAA CC(C)(C)OC(=O)N[C@@H](CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1 241946683 UNBKWNRXWQCTSK-PIIMJCKOSA-N 405.539 2.825 0 50 HFAA COCc1nc(-c2cccc(NC(=O)[C@H](C)n3cnc4ccccc4c3=O)c2)n[nH]1 252536359 IGKDCXLXNRCBGS-ZDUSSCGKSA-N 404.430 2.528 0 50 HFAA NC(=O)C1CCN(Cc2ccc3c(c2)CN(Cc2cccc4c2OCO4)CCO3)CC1 299772374 ZWZFZZGEWONDSU-UHFFFAOYSA-N 423.513 2.507 0 50 HFAA O=C1C[C@]2(CCN(C(=O)c3ccsc3NC(=O)c3ccc4c(c3)CCC4)C2)CN1 447700383 UZGPEOBFDZZVBK-JOCHJYFZSA-N 409.511 2.841 0 50 HFAA COc1cccc([C@H]2CCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C2)c1OC 952973493 NMHKNVMTCPIAAZ-SFHVURJKSA-N 423.513 2.967 0 50 HFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 952979364 GRIAKHQEQLPIJC-UHFFFAOYSA-N 406.486 2.740 0 50 HFAA Cc1cc(C(F)(F)F)nc(N2CCN(C3CCN(C(=O)C4CCC4)CC3)CC2)n1 1506420616 NIYNGBOYPHSBTO-UHFFFAOYSA-N 411.472 2.717 0 50 HFAA O[C@@H]1CCN(c2ccnc(N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)n2)C1 1704302671 AGWUPLYFOFWCJV-MRXNPFEDSA-N 405.502 2.597 0 50 HFAA N=c1nc(N2CCC3(CC2)OCCc2cc(OCC4CC4)ccc23)c2nc[nH]c2[nH]1 1857667987 XLMNRFSEZXIGIO-UHFFFAOYSA-N 406.490 2.623 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2cccc(F)c2)cn1 1857722794 OIYVNWPECSHELJ-UNMCSNQZSA-N 400.498 2.556 0 50 HFAA CC(C)Cc1nc(=NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)s[nH]1 1875354373 FUXUYOGBQCYANY-HNNXBMFYSA-N 423.564 2.597 0 50 HFAA CCOC(=O)[C@@H]1C(=O)N(C(=O)c2cncc(Br)c2)C[C@H]1c1ccccc1 849703 XGAWPSQQLXFFLT-HOTGVXAUSA-N 417.259 2.790 0 50 HFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 904683 JASLJZLUVXUQAB-QGZVFWFLSA-N 414.955 2.959 0 50 HFAA COc1ccc(OC)c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 1110735 WUASWHGBJHWDOO-UHFFFAOYSA-N 416.858 2.901 0 50 HFAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(OCC(=O)O)cc1 4657461 ITRZTHCUDSZPJN-IBGZPJMESA-N 412.467 2.643 0 50 HFAA Cc1cccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1 6917248 INLZUFHFMIKPJB-UHFFFAOYSA-N 420.517 2.995 0 50 HFAA CCc1cc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)n(C)n1 11978930 SPMKRJXCBGFIBP-KRWDZBQOSA-N 409.465 2.929 0 50 HFAA COc1cccc(OC)c1CN1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 12034964 USQJKULFZGZJFQ-SFHVURJKSA-N 415.538 2.577 0 50 HFAA CO[C@H](C(=O)NC[C@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1)c1ccccc1 12164003 YTTSSBWHBOJQHH-KNQAVFIVSA-N 417.465 2.655 0 50 HFAA CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 12304168 GBTCGOQWGKTOJO-INIZCTEOSA-N 403.523 2.985 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3csc(C)n3)cc2)CC1 12573841 WHSZSOQELYOBFZ-CQSZACIVSA-N 417.531 2.959 0 50 HFAA CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12709978 UCUWTXPTTOLZIP-HSZRJFAPSA-N 423.557 2.975 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)Cc1cscn1)C2 14740593 SISNXWLNHAXMJY-OAHLLOKOSA-N 405.593 2.538 0 50 HFAA O=C(NCCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1 15009174 KAUGJJCPZNNZQG-UHFFFAOYSA-N 419.529 2.894 0 50 HFAA COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1 32103871 CJJXTFHFLRJXQF-GOSISDBHSA-N 422.533 2.832 0 50 HFAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1Cl)N1N=Cc3ccccc3[C@@H]21 43191193 MWJBSBULFXAXKK-RDGPPVDQSA-N 407.857 2.917 0 50 HFAA O=C(NCC1CCOCC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82109348 WHQAGXXUFBHUHG-QHCPKHFHSA-N 413.606 2.948 0 50 HFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 225419582 LBGKSLBUGGDVDR-QDNNMPSSSA-N 418.541 2.818 0 50 HFAA NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)NC[C@H]2Cc3ccccc3O2)C1 252458359 BXYHFSVTTLPZRP-RTBURBONSA-N 408.502 2.509 0 50 HFAA COc1ccc(CNC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 253409457 LWDUVWVSZJAMHP-UHFFFAOYSA-N 410.470 2.774 0 50 HFAA biogenic Cc1c(C(=O)N(C)CCO)cnn1-c1nccc(-c2ccccc2C(F)(F)F)n1 299786665 NVFWFLIKOKXRAL-UHFFFAOYSA-N 405.380 2.721 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)c4ncnn4C)csc3C2)nc1 426541493 PPLMHWXPGPIPPE-CQSZACIVSA-N 410.547 2.883 0 50 HFAA Cc1cc(C(=O)NC[C@H]2CCCN(CC(=O)NCc3cccs3)C2)ccc1F 827832007 WCNWODUJZSHALQ-MRXNPFEDSA-N 403.523 2.954 0 50 HFAA CCCn1cc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2Cl)C3)c(C)n1 1857682585 KCIYDCLABFSIEC-QWHZDKJVSA-N 415.925 2.931 0 50 HFAA CCN(C)c1nc(-c2ccccc2)nc2c1CCC21CCN(S(C)(=O)=O)CC1 1857684532 RRYPPASUBSUUQU-UHFFFAOYSA-N 400.548 2.839 0 50 HFAA O=C(NCc1nc2ccc(F)cc2[nH]1)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 1857690687 ONTAMHYASSMUCY-JLTOFOAXSA-N 400.479 2.528 0 50 HFAA Cc1ccc(OCCN2C[C@@H]3[C@H](CNC(=O)c4ccon4)[C@H]4CC[C@]3(C2)O4)c(C)c1 1857720382 RDLSWGYIWFQNKI-BJJLKGPWSA-N 411.502 2.580 0 50 HFAA Cc1ccc([C@H](N)C(=O)NS(=O)(=O)c2c(C)cc(Br)cc2C)cc1 2325842219 RPSIZTPGPMXQAL-HNNXBMFYSA-N 411.321 2.879 0 50 HFAA Cc1nn(CC(=O)N2CCC3(CC2)OCCc2sccc23)c(=O)c2ccccc12 2356136729 HCPFVHGTXMXVTH-UHFFFAOYSA-N 409.511 2.857 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H]4CCCO4)C3)[C@@H]3CCCC(=O)N23)c1 2356154941 QOGPTGDXPVUITI-NQOGSSOHSA-N 412.530 2.645 0 50 HFAA CN1C(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2C1=O 678737 RGYXXAQFZVCNKD-UHFFFAOYSA-N 406.179 2.769 0 50 HFAA Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1S(=O)(=O)N(C)C 884821 ZOHZBANPKBCPDB-UHFFFAOYSA-N 412.515 2.692 0 50 HFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)Cn3nc(Cl)ccc3=O)CC2)c1 14948661 WUZJFKJXNDVYFB-UHFFFAOYSA-N 416.909 2.863 0 50 HFAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1CCCc1ccccc1 15073787 NLUSHQDAXBRLLI-LJQANCHMSA-N 405.564 2.656 0 50 HFAA COc1ccc(Nc2ccc(-c3ccc(C)c(S(N)(=O)=O)c3)nn2)cc1OC 20096111 YVURWANJWYABBB-UHFFFAOYSA-N 400.460 2.860 0 50 HFAA NC(=O)C1(N2CCCCC2)CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 20204054 XWVHNJKFVJOTHP-UHFFFAOYSA-N 403.914 2.696 0 50 HFAA CCOC(=O)c1cnn(-c2ccccc2F)c1CN1CCN(Cc2ccccn2)CC1 23361271 WBGXALRJRFNSIS-UHFFFAOYSA-N 423.492 2.901 0 50 HFAA COc1ccc2nc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)sc2c1 32843234 YFHZNJBODSYVNJ-WWGRRREGSA-N 406.533 2.969 0 50 HFAA biogenic C[C@H](N[C@@H](CO)c1ccccc1F)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 225580019 VKHUFDWODBUPNP-ORYQWCPZSA-N 402.466 2.875 0 50 HFAA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 229798179 PIYYNHRXLHZNCZ-SVMVAKDDSA-N 424.545 2.766 0 50 HFAA C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 239667157 BPDWURUGTBZNBM-UGSOOPFHSA-N 408.458 2.792 0 50 HFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704297295 LFSMGRUKJZPKNP-OAQYLSRUSA-N 413.909 2.856 0 50 HFAA O=C(N[C@@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1)c1ccc2ncsc2c1 1857670322 HRSBTPGSGQPVCT-KGLIPLIRSA-N 409.515 2.979 0 50 HFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(C(=O)N4CCN(C)CC4)c3)c2n1 1857690218 WTRWLMYZMXVTAV-UHFFFAOYSA-N 415.501 2.586 0 50 HFAA CC(C)Nc1ncc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cn1 1857706864 UFIRQOIJXLOIHP-GBESFXJTSA-N 415.925 2.895 0 50 HFAA Cc1cc(=O)cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)o1 1857714299 PCPGXOVKTWBVRL-HSZRJFAPSA-N 418.453 2.626 0 50 HFAA C[C@H]1COB(O)c2cc(NC(=O)Cc3cccc(OCc4cccnc4)c3)ccc21 1875368584 BYOQGIJDKSZZOR-INIZCTEOSA-N 402.259 2.663 0 50 HFAA Cc1cnn(CC(=O)N2CCC[C@@]3(CCCN(CCOc4ccccc4)C3=O)[C@H]2C)c1 1940197347 JFEWJXQNWVGLEH-YKSBVNFPSA-N 424.545 2.890 0 50 HFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2100557119 NCGCOGMQKUJBLO-GOSISDBHSA-N 407.396 2.621 0 50 HFAA Cc1ccc(S(=O)(=O)NC(=O)c2nnn(C3CC3)c2C(F)F)cc1C(F)(F)F 2325828203 ASNROHLUDMYGHA-UHFFFAOYSA-N 424.351 2.997 0 50 HFAA N=c1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)/C=C/C=C(Cl)Cl)C2)nc(Cl)[nH]1 2325872620 GNPQLTHLEDSUFB-GIVNNSNTSA-N 418.712 2.575 0 50 HFAA O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1060165 MDJJEOBQADZFOJ-UHFFFAOYSA-N 406.463 2.961 0 50 HFAA CCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 3142436 ABWYBANVIMYIOJ-LBPRGKRZSA-N 412.726 2.982 0 50 HFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4027333 LCLXBNDAOUUZSN-WOJBJXKFSA-N 412.486 2.838 0 50 HFAA biogenic O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6237218 FFRCIEPBBLELHM-UHFFFAOYSA-N 400.834 2.765 0 50 HFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 8396413 KEZBBDOURSYBEM-XAPLUZPNSA-N 417.224 2.889 0 50 HFAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 11841118 WTVNCVXYBAAVAS-HSZRJFAPSA-N 413.518 2.837 0 50 HFAA COc1ccc(CN2CCC(CO)CC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12573992 OMHCJIXKTVZHHD-QFIPXVFZSA-N 420.594 2.905 0 50 HFAA CN(C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)[C@H]1CCOC1 12716066 IVYTWININMFZPJ-IBGZPJMESA-N 412.534 2.756 0 50 HFAA CN(CC[C@@H]1CCCCO1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12718466 NCOHKKMFJBKLNJ-KRWDZBQOSA-N 411.462 2.866 0 50 HFAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCOCC1 14948186 RJLNEHAIYHOJHS-HXUWFJFHSA-N 407.986 2.775 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1)[C@@H]1CCOC1 15073596 VJRIHVVJOHXQRJ-QGZVFWFLSA-N 414.481 2.794 0 50 HFAA O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860857 QCACSWVPFSOLDX-KRWDZBQOSA-N 407.923 2.593 0 50 HFAA CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1 35476265 RRQPPHICRDRPJX-INIZCTEOSA-N 403.446 2.881 0 50 HFAA CCc1cnc(NCc2cc3c(nc2OC)CN(CCc2ccccn2)C3=O)nc1 71762421 FKIWKWVPGLNTTD-UHFFFAOYSA-N 404.474 2.648 0 50 HFAA Cc1cccc([C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 72442044 CHPVSHKIHVAWGP-NHCUHLMSSA-N 415.559 2.719 0 50 HFAA O=C(NCc1ccon1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91625542 FWQZRJQEISYZRS-INIZCTEOSA-N 409.490 2.813 0 50 HFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1 252666630 CBXNPJYXVSBJPG-ZGXWSNOMSA-N 411.546 2.544 0 50 HFAA OC1CCN(Cc2ccc3c(c2)CN(Cc2cccc4nccnc24)CCO3)CC1 299782717 UAALJHYGFSVXBW-UHFFFAOYSA-N 404.514 2.981 0 50 HFAA C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H]1CC[C@@H](N2CCCCC2)C1 408516791 YSLJVPMRIJLSGH-QZTZHPFYSA-N 424.545 2.509 0 50 HFAA O=C(NCc1nccn1CCc1ccccc1)c1cc(Cl)ccc1-n1cnnn1 434560694 ASCLHEYFVMKKKX-UHFFFAOYSA-N 407.865 2.685 0 50 HFAA Cn1ccc(N2CCC[C@@H](NCC3(c4ccccc4Cl)CCOCC3)C2=O)n1 439602243 FEKBWMISQIFTHC-GOSISDBHSA-N 402.926 2.907 0 50 HFAA C[C@@](O)(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1 816651832 RBOFNGNPWTXPNM-IBGZPJMESA-N 410.301 2.950 0 50 HFAA CCOc1ccc(CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl 952962093 AIOOLDYLLJLYQP-UHFFFAOYSA-N 415.987 2.977 0 50 HFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2noc([C@H]3CCCO3)n2)s1 1506427330 KZNZEWTYUDUFFO-GFCCVEGCSA-N 424.504 2.775 0 50 HFAA CCCc1nc(C(=O)N2CCCN(Cc3nccc(OC)c3OC)CC2)cs1 1772700524 CFWCJPYADKGIHJ-UHFFFAOYSA-N 404.536 2.856 0 50 HFAA COc1ccc(CN2C[C@@H]3CN(C4CCOCC4)C[C@@]3(CCC(=O)O)C2)c(C)c1 1772711602 ZUENWRLLJCOPII-AUSIDOKSSA-N 402.535 2.781 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC(c2cc(O)nc(C)n2)CC1 1857733496 MHTBAUQFDDJBFG-UHFFFAOYSA-N 410.503 2.986 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1cccs1 627382 XELFOHOZPJTIKT-FYXHJSOBSA-N 410.520 2.778 0 50 HFAA CCOc1ccccc1N(CC(=O)Nc1ccc(OC)cc1OC)S(C)(=O)=O 817130 UFAKSXPEKNTTNP-UHFFFAOYSA-N 408.476 2.507 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cc(C)cc(C)c2)cc1OC 881200 KFKJEHRUYUQGDF-UHFFFAOYSA-N 418.515 2.795 0 50 HFAA Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 1109079 SFIRZIGRMQWTBC-UHFFFAOYSA-N 421.950 2.763 0 50 HFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 1126412 KGDUCVYUFASXRT-WQRHYEAKSA-N 414.458 2.978 0 50 HFAA CC(C)OC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F 2266004 XJZZWEONYDKGBF-UHFFFAOYSA-N 423.335 2.701 0 50 HFAA CC(=O)Oc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 2836394 LFXSEFDFDNLVSD-QGZVFWFLSA-N 408.410 2.639 0 50 HFAA COc1ccccc1OCCNC[C@@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C 5679097 YMKUKKPQJBECRH-LJQANCHMSA-N 417.502 2.954 0 50 HFAA COc1cccc(CNc2ncnc3sc(C(=O)N[C@@H](C)CO)c(C)c23)c1OC 12212924 OXIJEMMDYUZXDJ-NSHDSACASA-N 416.503 2.740 0 50 HFAA Cc1nc(C)c(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccnc3)C2)s1 14534624 NEYGOFJZNMJPGY-SFHVURJKSA-N 416.547 2.681 0 50 HFAA Cc1c(Cl)cccc1Nc1nc(N)nc(CSC(=S)N2CCN(C)CC2)n1 20135860 YXYDWZLGRXHNGJ-UHFFFAOYSA-N 423.999 2.925 0 50 HFAA CC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 67613895 AJPWMBQQJHIJIC-QGZVFWFLSA-N 401.488 2.525 0 50 HFAA Cc1ccc2[nH]cc(-c3cc(C(=O)O)cc(S(=O)(=O)N4CCOCC4)c3)c2c1 71752507 VNVDLUQFYLFYEW-UHFFFAOYSA-N 400.456 2.862 0 50 HFAA O=C(CSCC1CC1)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 95363918 VWNDIDDQIMVIRR-UHFFFAOYSA-N 404.580 2.648 0 50 HFAA Cc1cccc(OCCNC(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 225408114 MSTWLOHBKNQEAV-LJQANCHMSA-N 405.539 2.725 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c(C)o1 408514922 BYTVQXJSAQIOIU-UHFFFAOYSA-N 409.464 2.689 0 50 HFAA CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3C)cc1 736399407 QCHXLKVLOIGESF-FQEVSTJZSA-N 418.501 2.969 0 50 HFAA CC(=O)c1ccc2c(c1)CCN(CN1C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)C1=O)CC2 799139745 VXGXFFFTOCDFIS-KVZPGWMESA-N 421.541 2.994 0 50 HFAA Cc1ncnc(C)c1C(=O)N1CCOC2(CCN([C@H](C)CC(F)(F)F)CC2)C1 821746083 WTSARKFKUWLTPS-CYBMUJFWSA-N 400.445 2.741 0 50 HFAA COc1cc(Oc2cc(C(=O)N3CCC[C@H](CO)C3)ccc2OC)ccc1CN 1857689278 MERGESOLVUXUAD-HNNXBMFYSA-N 400.475 2.799 0 50 HFAA Cc1cccc2nc(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cn12 1857727392 QKROQAKLFVHFFY-PWHSHALESA-N 402.454 2.557 0 50 HFAA COCCC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCC2CC2)C1 1875250313 OHWWYRDBQDMMER-QHCPKHFHSA-N 400.567 2.861 0 50 HFAA COc1ccc([C@@H]2C[C@H](C)N(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)C2)cc1 1875259723 LCPRSXJNQWRGFB-GOEBONIOSA-N 407.470 2.738 0 50 HFAA COc1ccccc1[C@H](C)N1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 2325718805 CHKFZOMGLUZYFR-KRWDZBQOSA-N 416.543 2.926 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H]4CCCNC4)C3)[C@@H]3CCCCN23)c1 2356160476 UKFSFYDMGNCATK-LBQHQWNISA-N 411.590 2.939 0 50 HFAA Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@@H]2C1 2777633 DQDRMGNXMWVQSW-LLVKDONJSA-N 409.250 2.670 0 50 HFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 2852324 XKVCOPKRGIZYPC-UHFFFAOYSA-N 415.851 2.710 0 50 HFAA CCOC(=O)[C@H]1CCCN(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 11814147 NLLMFFJKDJTPDX-IBGZPJMESA-N 412.534 2.900 0 50 HFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@@H]3COC)cc2)CC1 12585961 TXBIMXKHMRQFSQ-LJQANCHMSA-N 418.534 2.734 0 50 HFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(OC)c(Cn3cncn3)c2)C1 14956295 FODVKBUECMNSQD-JOCHJYFZSA-N 416.522 2.517 0 50 HFAA CN(c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1)S(C)(=O)=O 16607045 RHRKENVJVHYOPT-UHFFFAOYSA-N 401.532 2.933 0 50 HFAA C[C@H](c1ccon1)N(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23359558 MKJWHIQBVQPVPX-QGZVFWFLSA-N 409.490 2.814 0 50 HFAA O=C1NCCN(Cc2cccnc2)[C@@H]1CC(=O)N1CCC(CCc2ccccc2)CC1 55568641 HAKOJBWTYBEMFE-HSZRJFAPSA-N 420.557 2.644 0 50 HFAA COc1ccccc1-n1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cn1 104461245 JSGVBSQJMLVERR-JOCHJYFZSA-N 421.545 2.653 0 50 HFAA CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC(c3nc(=O)[nH][nH]3)CC2)cc1 225523675 YYOMKAVUKWQZLD-UHFFFAOYSA-N 414.510 2.772 0 50 HFAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccccc3)N=C2O)cc1OC 252532917 FLLQHRJJRNKJFN-QGZVFWFLSA-N 411.458 2.790 0 50 HFAA O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1CCCN(c2ccccn2)C1 299800401 WEKOGMHVWGFBSF-OALUTQOASA-N 415.497 2.875 0 50 HFAA C[C@H]1CN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC2(CCOCC2)O1 468514558 BYXKALQJGOSSTC-HNNXBMFYSA-N 403.454 2.995 0 50 HFAA COc1cc(NCCNc2nc3ccccc3nc2N2CCN(C)CC2)cc(OC)c1 487169304 GNBJXOZTKMBQRG-UHFFFAOYSA-N 422.533 2.923 0 50 HFAA CC(C)CN1C[C@H]2CN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CCN2C1=O 488779986 JNGYZNZECHFDKZ-CYBMUJFWSA-N 409.412 2.732 0 50 HFAA COc1ccccc1CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529139330 PJDUZAOWMQJGKV-FYYLOGMGSA-N 415.486 2.606 0 50 HFAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2nnc3ccccc3n2)cn1 1875357510 JVSNNCWKXXQNID-UHFFFAOYSA-N 400.398 2.933 0 50 HFAA Cc1ccc2[nH]c(-c3nc(-c4cccc(N5CCN(C)CC5)n4)no3)cc(=O)c2c1 2325736523 OEZHHBNLMCLERH-UHFFFAOYSA-N 402.458 2.700 0 50 HFAA Cn1cccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)CC3CCCCC3)CC2)c1=O 2332239019 UFNIKYDGKOVVMW-LJAQVGFWSA-N 421.563 2.585 0 50 HFAA NC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 4809728 MXOGNBFQUDHVNC-UHFFFAOYSA-N 417.512 2.624 0 50 HFAA COc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 11697669 LDJQHQRQJLRQGK-UHFFFAOYSA-N 405.462 2.978 0 50 HFAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCC[C@@H](O)C1 12458871 SPAMMVRXFOPMDZ-LJQANCHMSA-N 406.530 2.832 0 50 HFAA O=C(C[C@@H](c1ccc(O)cc1)c1ccccc1O)N1CCN(c2cnccn2)CC1 12717789 OVSZXSXGCTZYPP-FQEVSTJZSA-N 404.470 2.759 0 50 HFAA O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 13282459 QJKFNFVWGVFUBU-GOSISDBHSA-N 412.412 2.869 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccccc1F)CC2 15070039 VHLAQZNOXNYPQY-IWAYRVGRSA-N 412.465 2.818 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc(Cl)c1O 20294461 NLGOLFGJZMOAJG-SFHVURJKSA-N 405.926 2.826 0 50 HFAA CC(C)N1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1 20601285 KXEMLCIJOFSLIU-UHFFFAOYSA-N 418.607 2.834 0 50 HFAA CCn1ncc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1C(=O)N(C)C 20602641 VHAFILNIRYAHSO-CQSZACIVSA-N 407.833 2.529 0 50 HFAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC[C@H](C(N)=O)C4)co3)cc2c1 67818448 KNRMIPRTPINOAM-HNNXBMFYSA-N 409.442 2.753 0 50 HFAA O=C1N[C@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCc1ccccn1 67867667 LKSGEWFMHHRMBP-XMMPIXPASA-N 406.530 2.937 0 50 HFAA CC[C@H](N)C(=O)Nc1nn(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c12 77353712 MJPMIUPRNVPXPI-KRWDZBQOSA-N 409.490 2.547 0 50 HFAA COCCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 95510165 HDSDWHIEMPBREL-JOCHJYFZSA-N 402.539 2.723 0 50 HFAA CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 170603738 PWOLRKNOROTQIM-OAQYLSRUSA-N 420.531 2.672 0 50 HFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1 170625638 DVJHDQIZFKBFSA-IBGZPJMESA-N 406.442 2.668 0 50 HFAA biogenic CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 245231718 JGJYVIGWLAJVFX-JZKQVHKSSA-N 415.490 2.564 0 50 HFAA NC(=O)C[C@H](c1cc2ccccc2nc1O)c1oc(CN2CCCCC2)cc(=O)c1O 253623663 DWHPPFSHOPNGEH-MRXNPFEDSA-N 423.469 2.592 0 50 HFAA biogenic O=C1CCc2cc(S(=O)(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)c(F)cc2N1 463798557 KFXCPGWZUITRAB-LBPRGKRZSA-N 400.431 2.979 0 50 HFAA CC[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OC)cc1 468708667 ZSNRUGDHUUIQJG-GOSISDBHSA-N 403.504 2.524 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)cc2)CC1 952984192 OVBHFKPIYIBMPN-SFHVURJKSA-N 408.502 2.542 0 50 HFAA Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCCN(c2ccncc2)CC1 1306864694 XUCLPIXIPBRJBH-UHFFFAOYSA-N 406.534 2.960 0 50 HFAA OC1CCN(c2cc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)ncn2)CC1 1704301311 UJASGUNIHIAJRR-DYESRHJHSA-N 405.502 2.656 0 50 HFAA OCCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@H]2CC2(F)F)CC1 1857690238 XPMHHQMOXFPAJD-QGZVFWFLSA-N 414.500 2.905 0 50 HFAA NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)Cc4ccc5c(c4)NC(=O)C5)CC3)c2c1 1875260476 OTRHPBHOOBWKBA-UHFFFAOYSA-N 416.481 2.710 0 50 HFAA COC(=O)c1ccc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)c(OC)c1 2325737518 MGBXGHGHGUJSAA-UHFFFAOYSA-N 422.437 2.915 0 50 HFAA COCCC[C@@]1(CO)CN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC[C@H]1O 2356147582 CYBQJSZVNALUFR-YADHBBJMSA-N 405.514 2.600 0 50 HFAA COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 983258 MAXKJGQSRDRSJW-UHFFFAOYSA-N 404.532 2.879 0 50 HFAA CCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC 1825441 HSBFDZOWUWLSHO-QGOAFFKASA-N 408.483 2.948 0 50 HFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccccc1Cl 4807929 QJVJZJVYLMIOOF-OBHPCNEJSA-N 414.870 2.655 0 50 HFAA CCn1ccnc1CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c1 12297558 HGZILRLLKXSKBF-IBGZPJMESA-N 404.555 2.624 0 50 HFAA O=C(N[C@H]1CCCCNC1=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12307659 FSFDGWULIOHJGG-QFIPXVFZSA-N 422.529 2.524 0 50 HFAA CCc1nc(C)c(CN2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 12438099 JPSUSEMMZHOIPK-INIZCTEOSA-N 400.523 2.940 0 50 HFAA O=C(c1ccc(=O)[nH]c1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14743844 LVCXFMFTAUYWQH-OAQYLSRUSA-N 423.513 2.577 0 50 HFAA CC(=O)Nc1ccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)cc1 14885854 DADVYOXMLUMJAP-HXUWFJFHSA-N 415.534 2.961 0 50 HFAA O=C(c1ccsc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23373745 PREWLNXLYWUWHX-LJQANCHMSA-N 413.543 2.899 0 50 HFAA COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 36372277 TVYBDQDXSLBDGV-ZCVVDKHISA-N 416.514 2.678 0 50 HFAA CC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100631645 FCJXOOLOHHNZMO-DOTOQJQBSA-N 412.243 2.772 0 50 HFAA COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc5c(c4)OCO5)ccn3n2)c1 263618834 VSXCOHDJXQILCG-LJQANCHMSA-N 405.410 2.634 0 50 HFAA COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc(C)ccc2O)CC1 436750383 NOTYWEXHXOYZLW-UHFFFAOYSA-N 401.463 2.756 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CCC(=O)O)C1 1772813734 RGVBSEFQXWZIIL-IERDGZPVSA-N 402.516 2.921 0 50 HFAA O=C1CCCN1CCCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857673088 GDCWMQFHJHCYBQ-WOJBJXKFSA-N 400.519 2.663 0 50 HFAA CCn1nc(-c2nc(-c3c[nH]c4ccccc34)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 1857677196 ZBAFUCYUWDDXBN-CQSZACIVSA-N 410.503 2.978 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NC2CC2)C[C@H]1NC(=O)c1c(OC)ccc(F)c1F 1857704167 GSJJDTPIQURRBM-APHBMKBZSA-N 410.461 2.946 0 50 HFAA Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)C(=O)CCO3)c(C)o1 1857737792 CVXRNDLKHOJPJS-UHFFFAOYSA-N 403.504 2.777 0 50 HFAA CNC(=O)CN(CC12C[C@H]3C[C@@H](CC(C)(C3)C1)C2)C(=O)c1cccc2c1OC(=O)C2 1875378977 JPOZRYPECYTXDC-DQCONPEVSA-N 410.514 2.943 0 50 HFAA Cn1cc(-c2cc(C(=O)OCc3cn4cc(Br)ccc4n3)on2)cn1 2325863024 QTWGJJBUFDRFHS-UHFFFAOYSA-N 402.208 2.842 0 50 HFAA CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)OCCc2sccc23)cc1 2356167354 MVSLJSYIKUAEKD-UHFFFAOYSA-N 405.541 2.785 0 50 HFAA O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 880019 FYVVOTOBEZRWRG-UHFFFAOYSA-N 406.529 2.579 0 50 HFAA CC[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 2812495 GJSNRPPSXZCLHF-OAHLLOKOSA-N 406.504 2.814 0 50 HFAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC 12052677 SDPAWRZMZCCVHY-INIZCTEOSA-N 404.536 2.643 0 50 HFAA CC(=O)c1ccc(OCC(=O)NC[C@@H]2Cc3cccc(-c4ncccn4)c3O2)cc1 12157690 WKWZQSQBKLXKBT-IBGZPJMESA-N 403.438 2.845 0 50 HFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)[nH]n1 12301294 VWBYQEIERFMASX-SFHVURJKSA-N 418.563 2.580 0 50 HFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 12429480 AWZDBJKBRMHIHB-QGZVFWFLSA-N 400.523 2.746 0 50 HFAA Cc1cc(=O)c(C(=O)NC(C)(C)CO)c(CCc2ccccc2)n1Cc1ccncc1 14989714 QVWNVADDOUFDFP-UHFFFAOYSA-N 419.525 2.886 0 50 HFAA O=C([C@H]1CC12CCN([C@@H]1CCSC1)CC2)N1CCN(Cc2cccs2)CC1 15071954 KVTXLFBANVASSE-IEBWSBKVSA-N 405.633 3.000 0 50 HFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(CC(=O)Nc3ccc(C)cc3)[nH]c2C1 65409819 AFWGCLKAUQSSOP-HNNXBMFYSA-N 404.470 2.978 0 50 HFAA COc1cccc(F)c1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCSCC2)c1 71760109 SYBVWNUXRBIKMQ-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA Cc1ccc(N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nn1 82099457 SHFWCUGPJGFVTM-OAQYLSRUSA-N 407.562 2.825 0 50 HFAA NC1CCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)CC1 82145788 DOIGUJPQRVLZHU-UHFFFAOYSA-N 412.622 2.745 0 50 HFAA O=C(c1ccc(N2CCN3CCC[C@H]3C2)nc1)N1CCC(CCn2cccn2)CC1 240163527 JBNVNIZEWZLHCD-NRFANRHFSA-N 408.550 2.505 0 50 HFAA Cc1nc(CCNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)no1 426598816 DXFRCBCNDFZIHW-UHFFFAOYSA-N 401.492 2.575 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4nncn4C)csc3C2)nc1 426707120 CFKBXXGARMAGPC-UHFFFAOYSA-N 410.547 2.665 0 50 HFAA CC1CCN(C(=O)COc2ccc(CN(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)cc2)CC1 1704357023 ASGRQDCPCPIVDP-QHAWAJNXSA-N 413.562 2.670 0 50 HFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccc(C(C)=O)cn1)C2 1857689727 WMNFMQBZNQVLST-TXTKFYIRSA-N 415.534 2.545 0 50 HFAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)N3CCc4sccc4C3)nc12 1875350366 JSKVVJIPJMOFFI-UHFFFAOYSA-N 403.467 2.755 0 50 HFAA CCOc1ccc([C@H](CO)NC(=O)c2nc(=NCc3ccco3)[nH]cc2Cl)cc1 1875351128 LUFGQKFQOGOXMU-KRWDZBQOSA-N 416.865 2.619 0 50 HFAA COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1cc(Cl)c(Cl)cc1OC 2325745653 AELBRUAPDVUCHX-UHFFFAOYSA-N 418.254 2.907 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccon4)C3)[C@@H]3CCCC(=O)N23)c1 2356145999 MSIOMMVLQILHIC-SEONNTABSA-N 409.486 2.768 0 50 HFAA CCOc1ccc(CCNC(=O)Cn2nc(C)c3ccccc3c2=O)cc1OCC 719187 RINYJRXOFMMDRY-UHFFFAOYSA-N 409.486 2.861 0 50 HFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1 953242 YWAMWUYVNFBMMN-MRXNPFEDSA-N 423.535 2.524 0 50 HFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc3c(c2)OCO3)CC1 10010445 HFFGUEHWDNHFGP-UHFFFAOYSA-N 401.850 2.990 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cnc(SC)nc2)CC1 11708945 OOPFEMHRNYWOEP-IBGZPJMESA-N 405.612 2.791 0 50 HFAA Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4cc(F)cc(F)c4)CC3)O2)n1 11969359 KBHYJODEKKVGRF-GOSISDBHSA-N 404.461 2.642 0 50 HFAA CN(C)CCN1C(=O)C[C@@](CC(=O)N(C)C2CCCCC2)(c2ccccc2F)C1=O 12004286 CVRXQRXZDDUJMK-QHCPKHFHSA-N 417.525 2.565 0 50 HFAA CO[C@H](C(=O)NC[C@@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1)c1ccccc1 12163988 YTTSSBWHBOJQHH-UGKGYDQZSA-N 417.465 2.655 0 50 HFAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)Cn2ccc(C)n2)CC1 12718468 QGVSQJDXUGGQBY-UHFFFAOYSA-N 422.489 2.513 0 50 HFAA CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)O)c3ccccc3)n2)cc1 61719473 HJYNJPZWTAKYDE-HXUWFJFHSA-N 409.467 2.574 0 50 HFAA CC(C)Nc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71385514 SOKSRKIKTSKPKE-GOSISDBHSA-N 400.571 2.600 0 50 HFAA CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77452897 MNVJEXCYQVXUJA-KAKUFGNQSA-N 415.493 2.535 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(N(C)C)c4)n3n2)cc1 169778548 RBRVZZYGCORGRG-UHFFFAOYSA-N 402.458 2.796 0 50 HFAA Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1C 245230586 UXEPKKWDHVLPEV-WPLQJJCUSA-N 422.275 2.745 0 50 HFAA CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC)cc1 245343585 SNBBMVIZPATJKD-YXTQBTIXSA-N 406.475 2.641 0 50 HFAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(C1Cc3ccccc3C1)CCO2 299756133 CVRUHZMGQKCCPZ-QHCPKHFHSA-N 405.542 2.759 0 50 HFAA COc1ccc(C(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)c(F)c1 328607375 VYXUNNWVHBZBKS-OAHLLOKOSA-N 402.470 2.713 0 50 HFAA O=S1(=O)CCCN1c1ccc(CN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1F 494978575 JWEMXPJNPHSBSF-GOSISDBHSA-N 407.515 2.895 0 50 HFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc2sc3c(c2c1)CCNC3=O 828248284 WKFZBQJMVMIYLG-CYBMUJFWSA-N 411.527 2.708 0 50 HFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1nc(-c2cccs2)ccc1=O 888088648 KFQPUSATHPSKRR-AEFFLSMTSA-N 400.548 2.695 0 50 HFAA CC(C)c1nc(NC(=O)[C@@H](c2ccccc2)n2c(O)nc3ccccc3c2=O)n[nH]1 888090887 ZGJYMSJGAUPDOI-MRXNPFEDSA-N 404.430 2.572 0 50 HFAA O=S(=O)(CCOc1ccccc1F)N1CCCN(Cc2cccc(F)c2)CC1 952964267 MKYHDOITNCRRHL-UHFFFAOYSA-N 410.486 2.881 0 50 HFAA C[C@H](C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)N(c1ccccc1)S(C)(=O)=O 1506403525 CDYIRSUVDKVERR-CYBMUJFWSA-N 404.467 2.515 0 50 HFAA CC(=O)NCCC(=O)N[C@@H]1CC[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)C1 1857683911 QVDSOLTTYBTOBE-YADHBBJMSA-N 407.514 2.576 0 50 HFAA CC(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCc2cnn(C)c2)CC1 1857695172 XOXOARPYOXAVAM-UHFFFAOYSA-N 416.529 2.737 0 50 HFAA O=C(O)C1CCN(C(=O)c2cncc(-c3cn(CCc4ccccc4)nn3)c2)CC1 1875326103 AIDSSHPVMNXKMY-UHFFFAOYSA-N 405.458 2.520 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1 1875383032 CYEDNMSXDWSADK-UHFFFAOYSA-N 420.435 2.915 0 50 HFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)CC1=O 2325819653 MDIOXPIXZMZJCY-KBAYOESNSA-N 401.507 2.722 0 50 HFAA Cc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 720091 YOZNUBAVHQYMOF-UHFFFAOYSA-N 403.417 2.790 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 893087 BTVKGPXFMLTUQB-UHFFFAOYSA-N 424.906 2.504 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2871827 OZXNLELFDQJJLF-AWEZNQCLSA-N 420.462 2.652 0 50 HFAA COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1 4840294 KWBUTKJCQIYIJQ-HNNXBMFYSA-N 404.488 2.743 0 50 HFAA COc1ccc(-n2c(CCNC(=O)[C@@H]3CCOC(C)(C)C3)nnc2SC)cc1 11912625 LSOXMCULYZECTA-CQSZACIVSA-N 404.536 2.862 0 50 HFAA COc1cccc(OC[C@@H](O)CNC(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)c1 12278440 RAEXGYXSTPFITB-OXJNMPFZSA-N 418.877 2.592 0 50 HFAA COc1ccc(CN2CCC(O)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12463898 DFNOKCSPYOFKSG-QFIPXVFZSA-N 414.546 2.524 0 50 HFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3Cl)CN2C1=O 14746313 BNFCBKIJMVTNRG-MJVIGCOGSA-N 413.305 2.629 0 50 HFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 65362059 SJYFRCZDDUOIGW-UHFFFAOYSA-N 404.312 2.942 0 50 HFAA CCN(Cc1ccncc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77320480 HBQAOLAULZAKSB-CIEVZJJWSA-N 421.472 2.551 0 50 HFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nnc(C)c3ccccc13)CC2 95386879 IYAOKLBLJAUGDE-UHFFFAOYSA-N 403.490 2.569 0 50 HFAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2Cc3ccccc3C2)CC1 95512201 KEUWKOMQGSDEMK-UHFFFAOYSA-N 400.500 2.645 0 50 HFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cc(F)cc(F)c1 169752547 CZWFPPLDVSHZFR-UHFFFAOYSA-N 410.380 2.572 0 50 HFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 241301046 LPXQSVWLHAXJQZ-SFGWALBWSA-N 403.542 2.909 0 50 HFAA Cc1ccc(SCCN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1C 242273558 YDVDTSWGXDPQDC-NRFANRHFSA-N 422.514 2.838 0 50 HFAA CCOc1ccc(N2C[C@H](C(=O)N3CCOc4cc(OC)ccc4C3)CC2=O)cc1 802251971 JCONMJPDYURFRR-QGZVFWFLSA-N 410.470 2.868 0 50 HFAA O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCCN1Cc1ccncc1 1323545291 ATEJMAWGGVTSCF-XMMPIXPASA-N 422.573 2.709 0 50 HFAA CCCCn1nc(-c2cccnc2O)nc1[C@H]1CCCN(C(=O)COCC)CC1 1772816864 AKYFWUKZIUXMDJ-INIZCTEOSA-N 401.511 2.978 0 50 HFAA CC(C)NC(=O)[C@]12CCCCN1C[C@@H](NC1CCN(c3ccc(F)cc3)CC1)C2 1857688758 ZPWJYFBICPBAJC-NZQKXSOJSA-N 402.558 2.906 0 50 HFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c(OC)n1 1857718214 DBHQLTMXESBUDH-SOLBZPMBSA-N 417.893 2.696 0 50 HFAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)cc(C)n1 1857739207 MQVFXGLPUGHSJS-GOTSBHOMSA-N 409.530 2.737 0 50 HFAA Cc1cccc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1C 2082943397 YIXDTGGNROKCBA-MRXNPFEDSA-N 410.495 2.608 0 50 HFAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c(s1)CCOC21CCNCC1 2356159797 QNLTYHJNWGJVQQ-SFHVURJKSA-N 411.571 2.686 0 50 HFAA CCOC(=O)N1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 4828748 BMSRHOFGAZKINE-UHFFFAOYSA-N 401.326 2.983 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nn1 12054822 CUAQEYPRYKRUPO-UHFFFAOYSA-N 408.506 2.551 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2 14533631 HGUWQFMNENCJBQ-UHFFFAOYSA-N 416.909 2.756 0 50 HFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 14979025 IDPGZEHKSXHLNV-QFIPXVFZSA-N 414.594 2.986 0 50 HFAA C[C@H](Cc1cccnc1)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 20205100 UKDJOMJHWHCTHT-HXUWFJFHSA-N 421.589 2.900 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)CN1Cc1cccnc1 20997254 NKCWWPJDRVOTTD-JOCHJYFZSA-N 421.541 2.664 0 50 HFAA O=C(NCc1ccc2sccc2c1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 23542806 CWJWLCDGWMRRGC-SFHVURJKSA-N 413.543 2.769 0 50 HFAA COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1Cl 30324585 QPGBNDHWEMEZIN-UHFFFAOYSA-N 410.923 2.659 0 50 HFAA CCN(CC)C(=O)N1CCC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1 46668583 IOLLZNZXSQOFRE-UHFFFAOYSA-N 402.539 2.518 0 50 HFAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCC[C@H](C)N2CCCC2)CC1 72442094 FISRSWIHUQJLDU-IBGZPJMESA-N 421.607 2.527 0 50 HFAA Cn1cnc(S(=O)(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1 92028469 GHKDNAAYGGKDDX-INIZCTEOSA-N 403.483 2.737 0 50 HFAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cccc(F)c1 169757893 KYHBJXFFARNNBX-GOSISDBHSA-N 415.808 2.995 0 50 HFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n[nH]c2=O)cc1 169777367 XKPBOVDGJLKLKW-UHFFFAOYSA-N 424.476 2.716 0 50 HFAA O=C(c1c(F)cccc1F)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780512 BVWKHFRRLPSDQW-UHFFFAOYSA-N 400.389 2.961 0 50 HFAA Cc1cncn1C1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 240225333 DHGFZHXIBKXDCP-AQNXPRMDSA-N 412.534 2.721 0 50 HFAA O=C(NCCCn1cccn1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263616630 JVLDYRZKHISUGM-UHFFFAOYSA-N 404.470 2.624 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 263618425 SXUOVOKXJXOFAK-GOSISDBHSA-N 400.385 2.766 0 50 HFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 302946837 BHOVTOIFBLYMAN-JOCHJYFZSA-N 421.541 2.968 0 50 HFAA O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)N1CCOC2(CCCCC2)C1 465868739 DBVCLZQBKJXRPS-NRFANRHFSA-N 401.551 2.675 0 50 HFAA C[C@@]1(c2cccc(C(=O)N3CC=C(c4c(F)cccc4F)CC3)c2)NC(=O)NC1=O 474419093 ZIYLGGAJUZAINR-QFIPXVFZSA-N 411.408 2.949 0 50 HFAA C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)c2)C[C@@H](C)O1 1353871468 BPSKDUVFMIVSRY-IOASZLSFSA-N 403.429 2.707 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)C[C@H]3CCCCN3C)CC1)OCC2 1704345140 WEHIBIRAPYPQOZ-GOSISDBHSA-N 402.535 2.969 0 50 HFAA O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)NCCCO 1772500803 LXELCNXRDMWAHK-UHFFFAOYSA-N 421.541 2.566 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NC2CC2)C[C@H]1NC(=O)c1ccccc1-n1cccn1 1857683280 UARAEYWHAJQKLS-LDQXTDLNSA-N 410.518 2.845 0 50 HFAA Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCOc2ccc(F)cc2)c2ccccc21 1857696022 IJQWMTRXWHALIO-PMACEKPBSA-N 422.460 2.607 0 50 HFAA Cc1cccc(OCC(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1C 1857735124 JCAUOHHCSYABOC-LEEZEASISA-N 406.482 2.983 0 50 HFAA CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1 687753 NVAIVGHVIFGBTF-UHFFFAOYSA-N 413.971 2.583 0 50 HFAA CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1 1145877 VJWPFPQZUDXYIL-UHFFFAOYSA-N 401.423 2.709 0 50 HFAA CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1 4717356 XBEXWIUSNVTRMC-KRWDZBQOSA-N 413.865 2.804 0 50 HFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 12029923 OXQXUHDWIAAXSE-LJQANCHMSA-N 401.526 2.550 0 50 HFAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2cnn(-c3ccccc3)n2)c1 12056530 MHANGQOXAHXIOB-HXUWFJFHSA-N 405.502 2.947 0 50 HFAA COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@H]2CCNCc2ccc(F)cc2)c1 14879592 MNZSNZZTGRBAQX-PMACEKPBSA-N 416.493 2.745 0 50 HFAA C[C@@H]1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82138455 IHBAGSDSMDGQAK-OAQYLSRUSA-N 412.622 2.616 0 50 HFAA CC(C)OCC(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1 95522024 UZGWKIVBXCOMDA-UHFFFAOYSA-N 402.583 2.641 0 50 HFAA O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 169352525 HUZHMAUCVLUFKA-GXTWGEPZSA-N 421.346 2.689 0 50 HFAA NC(=O)[C@@H]1CCCN(Cc2ccccc2NS(=O)(=O)c2cccc(Cl)c2)C1 170617461 JFFJQZHYEAHFMS-OAHLLOKOSA-N 407.923 2.838 0 50 HFAA CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O 239433811 YNWPRHUDESRNFE-WMCZVVASSA-N 401.507 2.793 0 50 HFAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)Nc2ccc3cc[nH]c3c2)N=C1O 252527927 DSMPPOCOBXUXFC-GOSISDBHSA-N 406.442 2.873 0 50 HFAA COc1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccccc2)cc1 426378289 YBPNIALBWRMFFE-UHFFFAOYSA-N 406.486 2.610 0 50 HFAA C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCC2 478624325 JHCGAQQKAOXDIY-ZDUSSCGKSA-N 415.457 2.844 0 50 HFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C2(N3CCCC3)CCCCC2)cc1 825176799 GWDVYCYGIHYRJF-UHFFFAOYSA-N 407.580 2.578 0 50 HFAA CN1C(=O)N(C)C2(CCN([C@H](C(=O)O)c3cccc(-c4ccccc4)c3)CC2)C1=O 1506426316 GAIYSLHBWRKBIY-IBGZPJMESA-N 407.470 2.838 0 50 HFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@]3(CCNC3)C2)ccc1F 1704302811 BNYMHAMZTAIUKG-OAQYLSRUSA-N 402.470 2.771 0 50 HFAA Cc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3-c3nccn3C)CC2)n1 1772712079 MFSFZULPWHVFEQ-UHFFFAOYSA-N 403.486 2.779 0 50 HFAA O=C(N[C@@H](C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 5043503 UJNYIVVZFKHOOB-SXYIGIQMSA-N 400.494 2.999 0 50 HFAA COc1ccc(CNCCc2scnc2C)cc1OC[C@H](O)CN(C)C(C)C 11878485 SAFQHDSIQBNBOW-GOSISDBHSA-N 407.580 2.872 0 50 HFAA COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)c1 14992728 KSOFTOCPFQKTSK-UHFFFAOYSA-N 418.501 2.603 0 50 HFAA O=C(CC[C@H]1CCCN(CCCn2cccn2)C1)N1CCN(c2ccccn2)CC1 19938834 JVUSMBKSBBKMGP-OAQYLSRUSA-N 410.566 2.509 0 50 HFAA CCn1nccc1C(=O)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777632 VFZIKQOZLITCKJ-MRXNPFEDSA-N 418.461 2.689 0 50 HFAA CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1 253430846 GCKLUODBYOIHNV-UHFFFAOYSA-N 408.545 2.932 0 50 HFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 299754299 QMJDKEWSIOUWIM-HAGHYFMRSA-N 409.555 2.875 0 50 HFAA Cc1nc2ncnn2c(C)c1CCC(=O)NCc1nc(-c2ccccc2Cl)no1 827820410 ITFKREIXMLLMTA-UHFFFAOYSA-N 411.853 2.694 0 50 HFAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 952988096 NFBGMMUEULSJSF-LJQANCHMSA-N 411.568 2.760 0 50 HFAA Cc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc(N2CCOCC2)n1 1704329661 XKNHNGGPRXQSRP-WIYYLYMNSA-N 405.502 2.839 0 50 HFAA CCC1(C(=O)NC)CCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)CC1 1704335713 DPBUJQFCAFJAAX-UHFFFAOYSA-N 405.426 2.930 0 50 HFAA O=C(C[C@H]1Cn2nc(-c3ccncc3)nc2NC1=O)Nc1ccc(F)c(Cl)c1 1848442430 MIFSLLNHIJXQTC-NSHDSACASA-N 400.801 2.730 0 50 HFAA Cc1nonc1C(=O)N1CCC2(CC1)CN(CCC1CCCCC1)C(=O)CCO2 1857722842 PQGWVZJSUNIJOD-UHFFFAOYSA-N 404.511 2.572 0 50 HFAA NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3F)cc2)cc1 1875259233 JMMUJVNTAWNSPY-LJQANCHMSA-N 407.401 2.673 0 50 HFAA O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)C2CCN(c3ccncn3)CC2)N1 1875262747 WWNPEWDFFPYNCA-UHFFFAOYSA-N 421.379 2.681 0 50 HFAA CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2-n2nccn2)c1 1875335765 GGYBMYPWGKUHEV-UHFFFAOYSA-N 422.308 2.897 0 50 HFAA Cc1ccc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1C 2082943385 LENXBGOLHLBIFI-MRXNPFEDSA-N 410.495 2.608 0 50 HFAA COc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 1167739 NPGPZCPITSZYQS-UHFFFAOYSA-N 413.293 2.862 0 50 HFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)Cn3cccn3)cc2)n1 11878902 HWCVKXQAWJMFLP-FQEVSTJZSA-N 406.490 2.705 0 50 HFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C3CSCCSC3)C2)cc1 11933340 UVJJLVIJBHRBDB-HNNXBMFYSA-N 416.634 2.534 0 50 HFAA CC[C@H]1CN(CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 11997456 ACOUOZIBUDBRNN-HNNXBMFYSA-N 422.576 2.737 0 50 HFAA COc1ccc(N2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 18276293 ZWHRMMUURXOJKE-GOSISDBHSA-N 422.510 2.759 0 50 HFAA CCCCNC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23360636 MBHFVJKJGIDUJA-IBGZPJMESA-N 402.539 2.507 0 50 HFAA O=C(CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 170607325 DXRXGRWYXJHXMC-XUZZJYLKSA-N 422.573 2.698 0 50 HFAA Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 225748187 UBZWMQUOTQZPBN-GBOPCIDUSA-N 400.456 2.639 0 50 HFAA O=C1CC2(CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)CC2)CN1 465365303 PRSRBUGCQPXYFY-UHFFFAOYSA-N 421.270 2.516 0 50 HFAA Cc1ccc(N(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)S(C)(=O)=O)cc1 670448705 ZPWAAKVYKRCXJZ-HXUWFJFHSA-N 412.515 2.515 0 50 HFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 734952782 CELDSXVHHWNJOS-RDTXWAMCSA-N 424.423 2.920 0 50 HFAA COc1ccc(C(=O)N2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)cn1 952987679 NVXPWKPOAYLIQW-UHFFFAOYSA-N 405.458 2.524 0 50 HFAA COc1cccc(-c2noc(CCCC(=O)N3C[C@H](Cc4ccccn4)[C@@H](O)C3)n2)c1 1616083042 SPFNMDANQCAYCY-PXNSSMCTSA-N 422.485 2.525 0 50 HFAA O=C1CCCc2cc(S(=O)(=O)N[C@@H]3COc4cc(Cl)ccc4C3)ccc2N1 1875330217 SJQFIGOCJOHMRL-HNNXBMFYSA-N 406.891 2.897 0 50 HFAA O=C(CN1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 2325863551 NRQUZLQZANVEFJ-XPWALMASSA-N 421.541 2.537 0 50 HFAA Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9134562 BKXWQQCYEDRUEL-QGZVFWFLSA-N 418.476 2.953 0 50 HFAA COCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC 12056149 VUFGPRNARCGWHB-UHFFFAOYSA-N 421.501 2.731 0 50 HFAA CN(C)[C@@H]1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 12387759 VCTYBLJYQWAVEJ-OAQYLSRUSA-N 408.546 2.901 0 50 HFAA O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC(N2CCSCC2)CC1 12447378 PSZHOKXXFSHJJB-UHFFFAOYSA-N 404.511 2.781 0 50 HFAA CN1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CC1 20601576 QTDXMAXYDCVHMW-UHFFFAOYSA-N 423.948 2.934 0 50 HFAA COc1ccc(CN2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)c(C)c1C 20776311 MNKJQUGDQCWATK-FQEVSTJZSA-N 416.591 2.893 0 50 HFAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)C[C@H](C)O)nc2c1=O 72432687 QZXTUJOXRWVPOO-HNNXBMFYSA-N 412.465 2.721 0 50 HFAA O=C(Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC[C@H]1CCCO1 77343545 IEQDMTXXAQVGLD-GOSISDBHSA-N 412.877 2.650 0 50 HFAA COCCN(C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)C[C@@H]1CO 91872007 OFJASKJMROIBNG-QZTJIDSGSA-N 400.494 2.751 0 50 HFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2)C2=C1C(=O)OC2 169758149 ZLLGCYGOLWGZKE-FQEVSTJZSA-N 407.426 2.601 0 50 HFAA CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2nnn[nH]2)c1 170595720 GYMFCZSFNISMRM-INIZCTEOSA-N 415.400 2.953 0 50 HFAA CC1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C[C@]2(CCOC2)O1 225443024 ITUBKFWUIJNTPR-OFVILXPXSA-N 422.525 2.824 0 50 HFAA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCc1nc(-c2ccncc2)no1 225461451 VWJNYOUKCIMRKN-ZBFHGGJFSA-N 415.494 2.826 0 50 HFAA COc1ccc(COC[C@H](O)CN2CCN(C)C[C@H]2c2ccccc2)cc1OC 253370805 WOAXSUWVDASJRO-RTWAWAEBSA-N 400.519 2.570 0 50 HFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1ccc(Cl)cc1 299794249 JSBCFTIJCDWSGB-SFTDATJTSA-N 419.928 2.974 0 50 HFAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 328607948 XRFDNTOAXCHUHP-BZUAXINKSA-N 410.474 2.584 0 50 HFAA Cc1cnccc1CCNC(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 463890225 CKAHXFBHYXWLNB-QFIPXVFZSA-N 407.474 2.979 0 50 HFAA Cc1cccc(NC(=O)CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 670467493 NFEQDCOSFYOQFR-UHFFFAOYSA-N 421.544 2.600 0 50 HFAA CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H](C(=O)O)c1ccccc1 761621453 UQXILIRKILHOGE-INIZCTEOSA-N 419.231 2.678 0 50 HFAA CCN1CCN(C(=O)c2ccccc2NC(=O)Nc2ccccc2C(=O)OC)CC1 886025674 SETINBNSZJTVGL-UHFFFAOYSA-N 410.474 2.895 0 50 HFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 1506417990 UKXIQYXCYUVMCS-QGZVFWFLSA-N 407.470 2.982 0 50 HFAA COc1cccc(C(=O)N2CCC(C(=O)N3CCC[C@@]4(CCC[C@H]4O)C3)CC2)c1 1704343168 UIRFFLJZWHFAKS-OFNKIYASSA-N 400.519 2.701 0 50 HFAA O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@]2(CO)C1 1772806661 HNYUGAQXMWHWRD-XMSQKQJNSA-N 417.912 2.760 0 50 HFAA CC1=C(CCN2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@]3(CO)C2)C(C)(C)CCC1 1772812348 GJCKFRUJQPTYMA-FDDCHVKYSA-N 400.567 2.703 0 50 HFAA Cc1nc(CN2CCOC3(CCN(Cc4cccnc4C)CC3)CC2=O)cs1 1857691192 ZNRBTTZWBGEFJB-UHFFFAOYSA-N 400.548 2.939 0 50 HFAA CCOC(=O)[C@H](NC(=O)C[C@H]1CCCc2cc(OC)ccc21)[C@H](O)c1cccnc1 1875405955 SOXCXVXSWHGKHV-NPFVIJTESA-N 412.486 2.682 0 50 HFAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2ccsc23)CN1Cc1cccnc1 2356153568 MHBUTBQTAJZLET-GOSISDBHSA-N 411.527 2.582 0 50 HFAA O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813714 CJAPLQBDTGDEPR-UHFFFAOYSA-N 412.939 2.981 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 12429479 AWZDBJKBRMHIHB-KRWDZBQOSA-N 400.523 2.746 0 50 HFAA COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 20035546 QYTGCHOBIKYGAB-UHFFFAOYSA-N 421.541 2.892 0 50 HFAA CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 21726425 KTENGJDOEBVUFW-INIZCTEOSA-N 403.446 2.800 0 50 HFAA COCCN1CCC(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 91964926 OEZYDPKOFAQFGF-QHCPKHFHSA-N 402.535 2.945 0 50 HFAA CN(C)CCOc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 170617665 HECATPYEPCHOLR-JLHYYAGUSA-N 417.531 2.529 0 50 HFAA O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21 206254185 GCQKSGMHUPDCGT-HXUWFJFHSA-N 418.497 2.701 0 50 HFAA C[C@@H](NC(=O)CCN1C(=O)C[C@](C)(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 223229940 HEHJEGCOFXYSTK-IQMFZBJNSA-N 404.470 2.847 0 50 HFAA COc1ccc(C2(c3noc(C[C@@H]4CCS(=O)(=O)C4)n3)CCCC2)cc1OC 225554941 IGMQUOQTUDEJCN-AWEZNQCLSA-N 406.504 2.924 0 50 HFAA CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1)[C@H]1CCS(=O)(=O)C1 239433417 XQTAISLGJCAZLA-KURKYZTESA-N 420.575 2.979 0 50 HFAA O=c1n(CCN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)nc2ccccn12 328607523 WENIRADGZHZJLX-QGZVFWFLSA-N 408.437 2.912 0 50 HFAA COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(F)c2)n1)c1ccc2c(c1)CCO2 470112208 LVJICDQBWAPDCM-FQEVSTJZSA-N 409.417 2.899 0 50 HFAA Cc1oc2ncnc(O)c2c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 755460820 KTWCOWASLVRENU-NSHDSACASA-N 414.437 2.828 0 50 HFAA COc1nc(Br)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 789414927 NKWCNOMPTAAHDO-CYBMUJFWSA-N 419.279 2.739 0 50 HFAA CC(=O)NC[C@@H]1CCCCN1C(=O)c1csc(=NC[C@@]2(C(C)(C)C)CCCO2)[nH]1 1875361157 SIKFLCNYQJNYNZ-HRAATJIYSA-N 422.595 2.703 0 50 HFAA Cc1nc2ccccc2n1CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2325875924 FXICRHGJMAYFIN-MRXNPFEDSA-N 416.275 2.919 0 50 HFAA CCc1c[nH]c(=N)nc1N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356142109 FAKTWEPJUKWNJJ-ANULTFPQSA-N 405.546 2.900 0 50 HFAA O=C(c1ccc2nnnn2c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356160523 WIAOFBIKZRXJQX-MLNNCEHLSA-N 416.529 2.682 0 50 HFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OCC)c(O)cc1Br 1125182 HJVBVWMRTOSRDT-CQSZACIVSA-N 415.309 2.909 0 50 HFAA O=C(N[C@]1(C(F)(F)F)N=C(O)N(CCc2ccccc2)C1=O)c1ccc(F)cc1 2387334 HLNJRXHNPOGEOR-SFHVURJKSA-N 409.339 2.813 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccoc3)c(=O)n2[C@H]1c1ccc(F)cc1 2759209 ZNTGWIUEGJFKIF-FJJYYWMZSA-N 412.442 2.530 0 50 HFAA Cc1cc(C)n(Cc2cccc(C(=O)Nn3c(S)nc4ccccc4c3=O)c2)n1 2793918 ADWDMQHDZZJXRG-UHFFFAOYSA-N 405.483 2.931 0 50 HFAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4852407 BNGDWMKTNLFHLZ-UXHICEINSA-N 402.516 2.686 0 50 HFAA CC(=O)N1CCN(c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)CC1 6701391 HHIXNEZRECKGAG-UHFFFAOYSA-N 409.515 2.962 0 50 HFAA CC(C)OCCCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1 11881665 BYNIAJWGBGZJPL-GFCCVEGCSA-N 405.476 2.665 0 50 HFAA CCCN1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 11951802 RODHAJJLZCTLEZ-HSZRJFAPSA-N 422.573 2.521 0 50 HFAA COc1ccc(-n2c(CCNC(=O)c3ccc4c(c3)OCO4)nnc2SC)cc1 12127631 YYZNAZBRAJYZCN-UHFFFAOYSA-N 412.471 2.699 0 50 HFAA COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 13670679 DKBXSYYJXUBMDD-UHFFFAOYSA-N 416.499 2.821 0 50 HFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1ccc3c(c1)CCO3)CC2 14742880 HVUIAPWXGARXAH-UHFFFAOYSA-N 418.497 2.996 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCC[C@H](CCCO)C2)c1 14973976 OWVUAPJQJOCVMH-GOSISDBHSA-N 418.534 2.710 0 50 HFAA CSc1ncc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCc2ccc(F)cc2)cn1 55042647 LTZXSAYWKWJJKZ-ZWKOTPCHSA-N 402.495 2.975 0 50 HFAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccc(C(=O)O)cc1)CC(=O)N2 65362322 OETZKBVOTBLGSH-INIZCTEOSA-N 418.457 2.743 0 50 HFAA COc1cc(-c2ccc(C(F)(F)F)cn2)cc2c1OCCN(C(=O)CNC(C)=O)C2 67460160 XAYYQKZGXQFMLR-UHFFFAOYSA-N 423.391 2.633 0 50 HFAA CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239165180 NQNYDNRDUOUPNV-HRFMKDBOSA-N 422.481 2.634 0 50 HFAA O=C(O)COc1ccc(-c2cccs2)cc1CN1CCN(c2ncccn2)CC1 299775163 IIEGFMCJLUVOHQ-UHFFFAOYSA-N 410.499 2.991 0 50 HFAA COc1cccc(OC)c1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 328598174 KSHUNFORNBNSMN-QGZVFWFLSA-N 417.487 2.773 0 50 HFAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H]3CN4CCC3CC4)csc2C1 426635353 KJXDYEMNGCBCRR-IBGZPJMESA-N 400.548 2.735 0 50 HFAA COCCC(=O)N1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 486880592 NTJRJKPEHQDSDV-UHFFFAOYSA-N 408.502 2.724 0 50 HFAA Cc1nc(C)c(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)s1 1772704109 KDGKFFPEIGJVIF-VQTJNVASSA-N 407.580 2.551 0 50 HFAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1196354 LKDQLFYVGOJMLN-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA COc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)cc1OC 4708634 IRAVWYZHKHRJPQ-CYBMUJFWSA-N 404.426 2.678 0 50 HFAA CCOC(=O)C1(CCOC)CCN(C(=O)CCn2c(C)nc3ccccc32)CC1 11933450 CFGLXRGNGUCREF-UHFFFAOYSA-N 401.507 2.943 0 50 HFAA CC(=O)NCCC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 12038979 NDTLFMPDGXOLGE-HNNXBMFYSA-N 404.463 2.703 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cnc3ccccc3c1)C2 14539796 SFSUQSJVFZROKG-SFHVURJKSA-N 421.570 2.804 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)c(C)c1 19851922 IWPKDVLCPOGDIN-UHFFFAOYSA-N 409.943 2.823 0 50 HFAA CC(=O)Nc1cc(CNC2C3CC4CC(C3)CC2C4)cc(C(=O)N2CCN(C)CC2)c1 20119070 QDCCMGSMLYUTQQ-UHFFFAOYSA-N 424.589 2.947 0 50 HFAA COc1cccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c1 22852418 UVRSFFLPACHPEJ-FQEVSTJZSA-N 400.519 2.781 0 50 HFAA O=C(c1ccc(Br)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528203 HFLWKQOXXCLXEZ-UHFFFAOYSA-N 416.323 2.802 0 50 HFAA NC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 55060415 PAJNFDOSKFUZLL-UHFFFAOYSA-N 407.301 2.853 0 50 HFAA CC(=O)Nc1cccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1 169777420 OEUURFLKCSJHKE-UHFFFAOYSA-N 421.461 2.641 0 50 HFAA COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=O)N[C@@H](C3(C)CCCCC3)C2=O)c1 170595695 YSQGKTCROCDJGP-AUUYWEPGSA-N 417.506 2.772 0 50 HFAA CC1CCN([C@@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)c2ccccc2)CC1 302572333 PYESAPCCFAEXAD-FQEVSTJZSA-N 408.550 2.640 0 50 HFAA Cc1ccc([C@H](NC(=O)NCC2(CN(C)C)CCCC2)[C@H](C)S(C)(=O)=O)cc1 437852970 VVIDXFSJIWCGLY-PKOBYXMFSA-N 409.596 2.890 0 50 HFAA O=C(c1ccc(CN2CCCC2)o1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 828166519 WGDOCIGTMAXZSC-UHFFFAOYSA-N 415.441 2.708 0 50 HFAA COc1cccc([C@@H]2CCN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C2)c1OC 952971213 NFZFPJZBSUWOFO-QGZVFWFLSA-N 407.474 2.547 0 50 HFAA O=C(O)c1nc(-c2ccnc(NCCN3CCOCC3)c2)n2c1ccc1ccccc12 1775970528 PDHFNBSLGXFTGP-UHFFFAOYSA-N 417.469 2.992 0 50 HFAA O=C(CCNC(=O)OCc1ccccc1)Nc1ncc(C(=O)[C@H]2CCOC2)s1 1875320088 GECARJOHIJUYDE-AWEZNQCLSA-N 403.460 2.617 0 50 HFAA Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(F)c1 2325819547 IGKAHGMGYOUXCW-YJBOKZPZSA-N 418.490 2.690 0 50 HFAA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1177106 GOKAQAZTWIZJLG-KRWDZBQOSA-N 422.437 2.891 0 50 HFAA Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 3464735 KRXFKWFWPKBELF-AZUAARDMSA-N 402.516 2.700 0 50 HFAA Cc1cccc(C)c1NC(=O)C(C)(C)N(C)C(=O)CN1C(=O)c2ccccc2C1=O 4012608 MMILOHFHGGKRLX-UHFFFAOYSA-N 407.470 2.775 0 50 HFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ncccn2)CC1 8782938 WNMQVUJIWMVOKI-UHFFFAOYSA-N 411.469 2.687 0 50 HFAA Cc1nc(N2CCC[C@H]2C(=O)NCCSc2nccn2C)nc2ccc(F)cc12 11789586 SUAGRTGDNVPLPJ-KRWDZBQOSA-N 414.510 2.688 0 50 HFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)NC2CCCCC2)C1 11818531 USKBMUWBGQOZIX-QGZVFWFLSA-N 403.523 2.945 0 50 HFAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccoc3)CC2)C1 11947242 QHZLIZFOTTXXMP-FQEVSTJZSA-N 409.530 2.955 0 50 HFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NC(C)(C)CO)c2C2CC2)n1 12079565 FQJJGTCEISGZFV-UHFFFAOYSA-N 407.474 2.716 0 50 HFAA Cc1ccc(NC(=O)N[C@@H]2[C@H](NC(=O)Nc3ccc(C)cc3)N(C)C(=O)N2C)cc1 13468303 INZMCHDDKRYNMZ-HDICACEKSA-N 410.478 2.896 0 50 HFAA Cc1cccc(CNC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)n1 20780357 BTGBKRBKHHNAER-UHFFFAOYSA-N 405.502 2.626 0 50 HFAA CCCCN1CCN([C@@H](C(=O)N(C)C2CCSCC2)c2ccccc2)C(=O)C1=O 77301625 HRXCOWZTBYBTBG-LJQANCHMSA-N 417.575 2.553 0 50 HFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NS(=O)(=O)N2CCCC2)cc1 91707956 KPMBRVXBDOEUAE-GOSISDBHSA-N 404.536 2.825 0 50 HFAA CCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 169759449 VVBSIABPOYTTGE-UHFFFAOYSA-N 420.444 2.996 0 50 HFAA CCn1c(SCc2nc3[nH]c(C)cc(=O)n3n2)nnc1-c1cccc(Cl)c1 170595577 UYONERHXGPWAHQ-UHFFFAOYSA-N 401.883 2.950 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 328596352 IISMGOQQHKPGKI-YLAKUSLOSA-N 406.548 2.544 0 50 HFAA COC(=O)c1cccc(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)c1 497449582 BUMDMAXXTIEMIU-UHFFFAOYSA-N 403.460 2.581 0 50 HFAA CCN1C(=O)C[C@H](Sc2ccccc2C(=O)NCc2cn3ccc(C)cc3n2)C1=O 670471892 YUXOILDFEWKTKF-SFHVURJKSA-N 422.510 2.812 0 50 HFAA CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 684478224 DWNRBTKSZIQVSB-SFHVURJKSA-N 406.452 2.922 0 50 HFAA COc1cc(CN2C[C@H]3CCCN3C(=O)[C@H]2C)ccc1OCCN1CCCCC1 1772815184 YLCBWIHXXCHZCX-UYAOXDASSA-N 401.551 2.755 0 50 HFAA O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857683847 OMDDRDGSQBULIH-GOTSBHOMSA-N 417.513 2.945 0 50 HFAA O=C(Cc1c(F)cccc1Cl)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1875251075 LAWDVIAYDMYTOW-WIYYLYMNSA-N 405.853 2.929 0 50 HFAA O=C(O)c1ccc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)nc1 2100483072 POCRTVRTGDCCHZ-UHFFFAOYSA-N 403.442 2.822 0 50 HFAA CC(C)N1CCC[C@@H]1CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CCCN1C(C)C 2325727897 FJFPHRCTASBSIB-NHCUHLMSSA-N 408.631 2.819 0 50 HFAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)CC1 2325884145 OWGCUQMIYGXATD-UHFFFAOYSA-N 418.925 2.749 0 50 HFAA Cc1ccc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1111748 BGCMEOLNXYTLQZ-UHFFFAOYSA-N 422.572 2.871 0 50 HFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2oc1=O 1131898 MZCPNCIUENBCNP-UHFFFAOYSA-N 401.459 2.763 0 50 HFAA O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 2812356 REAOHFJMBRFQNJ-UHFFFAOYSA-N 423.288 2.735 0 50 HFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC 4113716 LZCCXKSQKOQAEB-HXUWFJFHSA-N 412.442 2.954 0 50 HFAA CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O 4142236 MTPYENPPPHZQOH-GJZGRUSLSA-N 420.531 2.865 0 50 HFAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 9699576 DWRVXJPYBNCFBX-LBPRGKRZSA-N 410.879 2.904 0 50 HFAA NC(=O)C1CCN(C(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 11865889 ZEUVXKBFDYDFRY-UHFFFAOYSA-N 413.421 2.975 0 50 HFAA O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@](CO)(CCOc2ccccc2)C1 12429347 JHJHEWBSMSKUFE-HSZRJFAPSA-N 410.470 2.665 0 50 HFAA Cc1noc(C)c1CC(=O)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1 14532270 JZVYARIOQXMJSB-FQEVSTJZSA-N 411.502 2.500 0 50 HFAA CNc1nc(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cs1 72476936 YWXFLFIMKJHSKD-UHFFFAOYSA-N 416.503 2.691 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 77136037 FUWLDGVWKYBGMT-UHFFFAOYSA-N 401.898 2.701 0 50 HFAA O=C(c1cc(F)cc(F)c1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777428 DMNJZXKSNFQLEF-UHFFFAOYSA-N 400.389 2.961 0 50 HFAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 225428854 DBNXODGUIPCCQD-VUBDRERZSA-N 418.545 2.684 0 50 HFAA CCOc1ccncc1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 242001057 VCNHYXWERLGNHT-QGZVFWFLSA-N 418.519 2.845 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1)C(=O)OC 252463665 PLYWYHNJVHERHO-BOFPYLFWSA-N 400.479 2.663 0 50 HFAA CC1CCN(c2ccc(CNC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cn2)CC1 447977881 PVGPKVMPOSRYDC-GOSISDBHSA-N 402.539 2.797 0 50 HFAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 461852941 PNFSEVDROLGWFC-QFIPXVFZSA-N 422.529 2.598 0 50 HFAA Cc1nc(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)sc1Cc1ccccc1F 1310734205 YVXSCRJAGWANGJ-CYBMUJFWSA-N 400.483 2.989 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2-c2ccccc2F)cc1OC 2100544739 HNQNUGGKRFNFHG-UXHICEINSA-N 412.421 2.661 0 50 HFAA C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cccc2nnn(C)c12 2325744191 SRQIPCYCIQSHRX-HNNXBMFYSA-N 406.490 2.716 0 50 HFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C4CCCC4)ccc3C2=O)C(=O)N1 2325896148 RZYBZTKLEHTBBN-PMACEKPBSA-N 423.513 2.633 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)[C@@H]2CCCC(=O)N12 2356139045 LBBPWRKZSJZMSJ-HNJRGHQBSA-N 418.559 2.812 0 50 HFAA CCn1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)n1 2793968 HWKCXQJEHIYNIS-UHFFFAOYSA-N 419.334 2.732 0 50 HFAA CN(C)CCN1C(=O)C[C@](CC(=O)N(C)C2CCCCC2)(c2ccccc2F)C1=O 12004291 CVRXQRXZDDUJMK-HSZRJFAPSA-N 417.525 2.565 0 50 HFAA CC[C@@H](C)CC(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 12035094 PXMNMSVHHDXCGL-JPYJTQIMSA-N 422.614 2.950 0 50 HFAA Cc1cccc(CN[C@H]2CCc3c(c(C(=O)NCCN4CCCCC4)nn3C)C2)c1 14531174 RBUABZPTNZZUMS-FQEVSTJZSA-N 409.578 2.591 0 50 HFAA Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3cccc(C)c3C)n2)cc1 20394205 UMHOKLNUXVYBCI-UHFFFAOYSA-N 408.458 2.587 0 50 HFAA COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1 43200326 JENSDTKXNVHSSN-UHFFFAOYSA-N 421.505 2.915 0 50 HFAA in-vivo CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O 72437759 RLOLMTKKOFWBKT-NHCUHLMSSA-N 422.591 2.771 0 50 HFAA O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95499558 DWJNFCZAKHNRKQ-UHFFFAOYSA-N 403.486 2.817 0 50 HFAA COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)n2cc(Br)ccc2nc1=O 205960044 VLUXGMQTNPGKRA-ZDUSSCGKSA-N 419.231 2.563 0 50 HFAA Cc1cc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c(C)n1-c1nccs1 225434356 XISRMEFQIZUBIX-UHFFFAOYSA-N 424.592 2.873 0 50 HFAA COc1ccccc1N1CC[C@@H](NC(=O)C2(c3ccccc3C)CCOCC2)C1=O 465180806 BAWLZTUAFHYNBZ-LJQANCHMSA-N 408.498 2.974 0 50 HFAA CN1C(=O)N(C)C2(CCN(C(=O)C[C@H](Cc3ccccc3)c3ccco3)CC2)C1=O 952967093 GSANINVYAIOACN-SFHVURJKSA-N 409.486 2.881 0 50 HFAA Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)c3scc4c3OCCO4)C2)n1 952968287 BSQAJJBANPECTQ-AWEZNQCLSA-N 401.488 2.505 0 50 HFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1 1506408135 VCLGYUBXFWJUDV-KRWDZBQOSA-N 402.451 2.587 0 50 HFAA O=C(CN1CCc2ccccc2C1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529167274 HFYDGRMBAXCKGR-ZJSXRUAMSA-N 401.510 2.967 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccccc3Cl)C1)CC2 1704312066 YLILSQXYNPVXOX-LJQANCHMSA-N 406.939 2.865 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3Cc4ccccc4O3)CCSCC2)o1 1776111941 YQXBFCGDUPJPLB-MRXNPFEDSA-N 415.511 2.929 0 50 HFAA COc1ccc(C(N)=O)cc1NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 1875263160 SJYXJWUNHBYLIW-UHFFFAOYSA-N 417.425 2.701 0 50 HFAA COc1ccccc1N=c1[nH]c(-c2ccccc2)c(CC(=O)NS(C)(=O)=O)s1 1875390919 PSCZCPBWQWNYAD-UHFFFAOYSA-N 417.512 2.603 0 50 HFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3cnn(-c4ccc(F)cc4)c3)cn12 1940195130 FSVJHAPQPBMVFJ-LJQANCHMSA-N 408.437 2.674 0 50 HFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2CCc2ccccc2)cc1OC 2100478166 WQMAXVMXWBRCGO-YADHBBJMSA-N 422.485 2.775 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCCCN3CCCC[C@H]3CC(=O)NCCC2)s1 2100534176 XDKWHBAGELTHSP-KRWDZBQOSA-N 405.564 2.938 0 50 HFAA Cn1cnc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 2356143316 CNKKEHVEGYVVEJ-NRFANRHFSA-N 409.515 2.546 0 50 HFAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)[C@H]1CC=CC[C@H]1C(=O)O 6730721 DXDJZDUZHWFDIE-UONOGXRCSA-N 418.515 2.705 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccccc1 8965072 VSRKWCMUUCOWMS-ZPBCLNFZSA-N 422.481 2.937 0 50 HFAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 11879208 OGEHAQOFMSRTIY-OAHLLOKOSA-N 405.445 2.999 0 50 HFAA CC[C@H](C)CC(=O)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12308302 UBNUGEDFIMZBSL-SFHVURJKSA-N 400.567 2.837 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(Cl)cc1)CC2 14885838 UFMQOYMIIWOPHY-UHFFFAOYSA-N 415.921 2.805 0 50 HFAA CCCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 14969360 RNRFGYGHCJLBOY-KRWDZBQOSA-N 403.527 2.803 0 50 HFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19889702 QNPPOHQNSDTRLK-XZOQPEGZSA-N 403.526 2.802 0 50 HFAA CN1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3Cl)cc2)CC1 23372968 CXVRHAKDMOCXMR-HXUWFJFHSA-N 403.954 2.617 0 50 HFAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(Cc2cccnc2)CC1 39537443 APTKTFCODXFEFD-UHFFFAOYSA-N 420.506 2.982 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1ccccc1F 55072957 TUQPSRGEQKDRHL-RXVVDRJESA-N 422.460 2.557 0 50 HFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2F)cc1 67601841 DFISZCPMUDAPMP-UHFFFAOYSA-N 419.522 2.540 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1nn[nH]c1-c1ccccc1 170607887 PRPOUOQRJKSZGG-UHFFFAOYSA-N 411.487 2.899 0 50 HFAA O=C(NC1(c2ccc(F)cc2)CCOCC1)C1CCN(C(=O)c2cccnc2)CC1 730550683 CWEBRMSIHIHGNB-UHFFFAOYSA-N 411.477 2.895 0 50 HFAA Cc1noc(C)c1CCC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 827921422 VGUWZHRBXXAPCL-UHFFFAOYSA-N 404.536 2.574 0 50 HFAA O=C(CN1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1)NCC(F)F 952894603 SBODVGZHXLHXFZ-MRXNPFEDSA-N 422.329 2.763 0 50 HFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc(O)cc3)CCSCC2)o1 1848443341 IRAKVWPIEXMBBK-UHFFFAOYSA-N 403.500 2.873 0 50 HFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1857669677 RCKQKOJHLPSEOA-WMZHIEFXSA-N 404.470 2.857 0 50 HFAA O=C(CCCn1cncn1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857721447 PDONZXPMNITXKG-UHFFFAOYSA-N 418.501 2.728 0 50 HFAA Cc1ccccc1CSCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 2813578 PRGQAHBPXAFSKW-UHFFFAOYSA-N 410.536 2.950 0 50 HFAA CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 4820481 XEOFCXDVYFSECV-UHFFFAOYSA-N 408.495 2.952 0 50 HFAA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NN1CCN(C)CC1 5042046 HLFKHSNLLAPKBK-UHFFFAOYSA-N 418.588 2.964 0 50 HFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN([C@@H](C)CSC)CC2 14749728 DCLBVHFBQMMUDO-SFHVURJKSA-N 419.591 2.726 0 50 HFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1F)CC2 15070037 VHLAQZNOXNYPQY-OZSKJFCKSA-N 412.465 2.818 0 50 HFAA COc1ccccc1N1CCN(C[C@@H]2CN3C(=O)N(C)c4ccccc4C3=N2)CC1 22442521 OULFYKAESNCMFJ-QGZVFWFLSA-N 405.502 2.518 0 50 HFAA in-vitro O=C(NCc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32071851 WEERCGNFZBKQLG-AWEZNQCLSA-N 404.396 2.676 0 50 HFAA CCN1CCC(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 55091095 DHEYFJQRGSMLME-JOCHJYFZSA-N 402.558 2.671 0 50 HFAA COCCn1c(CN(C)[C@H](C)c2cccc(OC)c2)cnc1S(=O)(=O)CC1CC1 55226946 OBXGAQNDUYUJRY-MRXNPFEDSA-N 421.563 2.915 0 50 HFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)n1 65362654 SLYZVMKICQGLJE-UHFFFAOYSA-N 421.954 2.550 0 50 HFAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)cs1 77456358 CMUOYSUMOMSCNJ-UGNRZPKXSA-N 413.474 2.536 0 50 HFAA O=C(COc1ccc(Cl)c(Cl)c1)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101863587 WCGRVNLSRBIWOI-XYPYXGAPSA-N 407.253 2.601 0 50 HFAA CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](CCSC)C(=O)OC 239310251 IGJYQBVVOMWCIQ-VNPUNGKLSA-N 400.585 2.755 0 50 HFAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)c2cc(CC(C)C)n[nH]2)CC3)n1 299778590 GXMOYASBXGOKLW-LJQANCHMSA-N 409.534 2.870 0 50 HFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 670473295 OMJYQVYSLCQBPX-IBGZPJMESA-N 406.534 2.588 0 50 HFAA COc1ccc(CN2C[C@@H]3CN(C4CCOCC4)C[C@]3(CCC(=O)O)C2)c(C)c1 1772711607 ZUENWRLLJCOPII-XXBNENTESA-N 402.535 2.781 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccc(F)c1)C2 1857691150 WFZXCQHWJFMKHG-QMHWCDLVSA-N 418.509 2.722 0 50 HFAA N=c1[nH]nc(CNC(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)s1 1857724338 WAQXJIALNYYIDE-JTQLQIEISA-N 406.899 2.668 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4cncn4CC)CC3=O)sc2c1 1857734205 NUWAPJZUIFCYTG-ZDUSSCGKSA-N 413.503 2.581 0 50 HFAA CCC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCC2(C)COC2)C1 1875243227 XJSSPEWMUGSHBJ-HSZRJFAPSA-N 400.567 2.861 0 50 HFAA O=C1CN(Cc2occc2C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CCN1 1875256452 HGVHGRMOLMBMAV-OAQYLSRUSA-N 417.456 2.914 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 979716 WZGFEYQNBHRFKR-HNNXBMFYSA-N 406.504 2.565 0 50 HFAA CCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 1827306 WXCUCNAWBWEUHA-UHFFFAOYSA-N 414.531 2.989 0 50 HFAA CN([C@H]1c2cc(OCCCC(F)(F)F)ccc2OC(C)(C)[C@@H]1O)S(C)(=O)=O 3941174 SRZRLJWUQFIZRH-LSDHHAIUSA-N 411.442 2.872 0 50 HFAA in-vivo CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 6285122 PJQBPZJRRHXFHG-UHFFFAOYSA-N 406.529 2.990 0 50 HFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1Cl 6672383 GZCCYQFXXNVSDA-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 6730719 DXDJZDUZHWFDIE-KBPBESRZSA-N 418.515 2.705 0 50 HFAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 9322167 XKNDMZNLJWHLHF-LFYBBSHMSA-N 416.249 2.763 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)c2cn(C)nc2C)c1 11814219 DSFFLAIXUFEILY-AWEZNQCLSA-N 414.506 2.618 0 50 HFAA COc1ccc(CN(C)C(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)cc1OC 12194235 PUTZBRBNNVLPNP-QFIPXVFZSA-N 400.475 2.927 0 50 HFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(Cc2cccnc2)CC1 20455428 DSWAYWPAXPVISE-UHFFFAOYSA-N 420.561 2.919 0 50 HFAA CCOc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1 67601922 IMGSJCHMADQYQL-UHFFFAOYSA-N 420.517 2.949 0 50 HFAA NC(=O)[C@@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CCO1 72432683 YLSOSBQVKOAZPF-AWEZNQCLSA-N 419.363 2.508 0 50 HFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 82127496 QUANXXDQFIDNSP-HXUWFJFHSA-N 406.530 2.715 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnco3)C2)c(OC)c1 95512482 JVDUPUAVUBIZGQ-HNNXBMFYSA-N 401.463 2.641 0 50 HFAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCO)CC2)c(F)c1 95525073 MMFWTNIZMKBILM-UHFFFAOYSA-N 410.493 2.797 0 50 HFAA C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 96174406 OHUHVTCQTUDPIJ-MUWSIPGASA-N 412.519 2.911 0 50 HFAA in-vitro Cc1noc([C@H]2COCCN2C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)n1 170594400 HKGHSHQOMGRQTG-OAHLLOKOSA-N 414.853 2.703 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 170613514 NLYBRWCUVSFPIP-CABCVRRESA-N 410.946 2.917 0 50 HFAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)[C@H]2CC[C@H]1O2 239173665 OKCUEOYXSHXUMC-QBPKDAKJSA-N 413.301 2.516 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC 253483639 YEZYTFZXAVIDAH-BOFPYLFWSA-N 400.479 2.663 0 50 HFAA CCC[C@H]1CCc2sc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)cc2C1 426526319 WYAZTMKBCZTWHD-AWEZNQCLSA-N 402.564 2.675 0 50 HFAA Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@H](C)c1nncn1C 670439021 BEAZGOXDGDUIDF-SNVBAGLBSA-N 415.397 2.837 0 50 HFAA Cc1noc([C@H](C)N(C)C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 952979685 OGJFJTRRTNXVFY-AWEZNQCLSA-N 403.442 2.975 0 50 HFAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 952982671 QYUMMAAGUBUFER-GFCCVEGCSA-N 418.847 2.798 0 50 HFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC4(CCNC(=O)CC4)CC3)o2)c1C 1506419340 ZHNCYNABQQFLNV-UHFFFAOYSA-N 407.492 2.622 0 50 HFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)c2)n1 1704335654 CXJFADRZPWLKFX-OFNKIYASSA-N 410.518 2.559 0 50 HFAA CSC[C@@H](NC(=O)C(=Cc1ccccc1F)NC(=O)c1ccccc1)C(=O)O 2049286246 FIXCNOZROSYGJD-QGZVFWFLSA-N 402.447 2.529 0 50 HFAA CC(=O)N1C[C@@H](C)c2ccc(S(=O)(=O)N3CCN(C)c4ccc(F)cc43)cc21 2325827177 YIGPHRWBPYGZJU-CYBMUJFWSA-N 403.479 2.941 0 50 HFAA COCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 2828885 ZYPIVXIWJUIYPQ-UHFFFAOYSA-N 409.335 2.547 0 50 HFAA O[C@@H](COc1ccc(Cl)cc1CNCCn1cccn1)CN1CCCCCC1 11813861 RTSZFPKHPCVIFM-HXUWFJFHSA-N 406.958 2.942 0 50 HFAA COc1ccc(C(=O)NCc2cc(C)n(C)n2)cc1OC1CCN(C(C)C)CC1 12302972 GJPFZJGHXVFJQY-UHFFFAOYSA-N 400.523 2.919 0 50 HFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nccn3C)C2)c(OC)c1 12306378 LRHWTLPIKKMEHV-KRWDZBQOSA-N 400.523 2.746 0 50 HFAA COc1ccc(/C=C/C(=O)N2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)cc1 12508550 ZNSRNWHHCBOKNQ-JXMROGBWSA-N 423.517 2.790 0 50 HFAA Cc1ccccc1Cn1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)nn1 12717633 IWGHBFJOKVUHEP-UHFFFAOYSA-N 415.541 2.950 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccc(F)c(F)c1)C3 14984225 YGOUTYSJCFOSJR-AWEZNQCLSA-N 418.513 2.945 0 50 HFAA Cn1ncc(Cl)c1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91664658 CTJRDFGFVJQVBN-UHFFFAOYSA-N 401.898 2.514 0 50 HFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2=C(C)OCCS2)c1 253432054 VOJHMCNVBVHJNC-UHFFFAOYSA-N 400.522 2.659 0 50 HFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5)CC4)c3CO2)cc1 263617953 QPRGBQHPNNLIBV-OAQYLSRUSA-N 419.485 2.521 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NC(C)(C)C(=O)NC)csc3C2)nc1 426434419 GEAXUEBPEZPKKE-UHFFFAOYSA-N 400.548 2.518 0 50 HFAA CNc1nnc(Cc2csc(NC(=O)c3cc4c(nc3OC)CCC4)n2)s1 1506410657 WGFQXRQVKSDZSV-UHFFFAOYSA-N 402.505 2.772 0 50 HFAA Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(C)(C)c1ccccn1 1742836452 YDWYWSBVDWVYSA-UHFFFAOYSA-N 413.595 2.963 0 50 HFAA COc1cncc(/C=C/C(=O)N(C)CCCN(C)C(=O)/C=C/c2cncc(OC)c2)c1 2325730130 NPYWHCXFTKLJOI-CDJQDVQCSA-N 424.501 2.527 0 50 HFAA Cc1cc(C)c(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)s1 2325819350 BVPFLYQHHKMQCJ-HOCLYGCPSA-N 406.529 2.780 0 50 HFAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4488399 QOHKYJOJYSTRLE-NSHDSACASA-N 409.335 2.545 0 50 HFAA CC(C)Oc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)cc1 6743652 JOWHQYNVXMXSBU-HXUWFJFHSA-N 410.470 2.548 0 50 HFAA CCc1ccc(CNCc2cc(NC(C)=O)cc(C(=O)N3CCN(C)CC3)c2)cc1 12190996 JBLJASMAZOEOIO-UHFFFAOYSA-N 408.546 2.885 0 50 HFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)CSC)CC1)c1ccccc1 12590091 FKQOSFWOBIQSOJ-IBGZPJMESA-N 402.520 2.736 0 50 HFAA CCOC(=O)N1CCN(C(=O)c2cc(COc3cccc4cccnc34)on2)CC1 12613114 JIJWJIMRHZHHJV-UHFFFAOYSA-N 410.430 2.716 0 50 HFAA COc1ccccc1OCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 12744069 IXFJCDHZXGTFJL-MRXNPFEDSA-N 400.450 2.882 0 50 HFAA COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccccn2)C3)c1 14747420 FLVPEDROMNBULB-UHFFFAOYSA-N 417.513 2.786 0 50 HFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@@H]2CCOC2)O3)n1 15000293 RTTQYFIPRFSAQI-RISCZKNCSA-N 405.907 2.975 0 50 HFAA COc1ccccc1-n1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 19792604 JSGVBSQJMLVERR-QFIPXVFZSA-N 421.545 2.653 0 50 HFAA C=Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 20345114 PSLKPKVAMYDAMB-UHFFFAOYSA-N 418.497 2.721 0 50 HFAA Cc1[nH]c2ccccc2c1CCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 23129389 HAIWPVKDNCRLOX-OAQYLSRUSA-N 423.557 2.881 0 50 HFAA Cc1ccn(-c2ccc(NCCNC(=O)c3cccc(Br)c3)nn2)n1 82230455 QYDFFHKOVNFEJT-UHFFFAOYSA-N 401.268 2.575 0 50 HFAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)CCn3cnnn3)c2)c1 95511872 UXTMWRXTZNRKMI-FQEVSTJZSA-N 404.474 2.668 0 50 HFAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758678 XEGICVUGHKCCST-FQEVSTJZSA-N 410.518 2.923 0 50 HFAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NC[C@H](CN(C)C)c2ccccc2)cc1 225422445 UGOLYNLIASBMRD-OUBGXTQLSA-N 409.530 2.675 0 50 HFAA CC[C@@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c2C(=O)NC2CC2)C1 245225954 BHLXJTSIEIHJMO-RATUJEEBSA-N 414.527 2.822 0 50 HFAA CSCC[C@H](CO)NC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1C 252550163 SCTDXSACRSINHU-GFCCVEGCSA-N 403.426 2.923 0 50 HFAA COc1ccc(-c2cc(=NC(=O)c3cccs3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334157993 GZGDFAAEQDVLDB-CQSZACIVSA-N 417.512 2.654 0 50 HFAA COc1ccccc1-c1ccnc(C2CCN(C(=O)CCCc3cnn[nH]3)CC2)n1 952894173 QFSGTDSWGVMUJX-UHFFFAOYSA-N 406.490 2.999 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1F)C2 1857695101 UHEMBCUQIKALEQ-IEGUWTFLSA-N 418.509 2.722 0 50 HFAA Cc1cccc(OCC(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1 1857724329 VRHCQSICJPFCOO-GMAHTHKFSA-N 412.534 2.562 0 50 HFAA CC(C)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C[C@@H](c2ccccc2)O1 1875241097 PISLWNVZCGLURN-UXHICEINSA-N 416.499 2.804 0 50 HFAA CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 1065831 SRIRVCUYMXDAGS-UHFFFAOYSA-N 409.305 2.659 0 50 HFAA O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OCCN1C(=O)c2ccccc2C1=O 1422320 ZOALQSVXNKXRMJ-UHFFFAOYSA-N 406.316 2.868 0 50 HFAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)cc1Cl 2866225 XRWBDUGNYJIAAG-UHFFFAOYSA-N 408.907 2.554 0 50 HFAA CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 3548704 OYIRSBDBXVMAOI-UHFFFAOYSA-N 418.515 2.839 0 50 HFAA Cc1ccc(C)c(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)c1 6787960 GSHAAIFUFCLZNQ-GOSISDBHSA-N 414.359 2.957 0 50 HFAA O=C1CCCN1CCNCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCCCC1 12206135 FDJFLXNPTXRCJH-FQEVSTJZSA-N 423.985 2.668 0 50 HFAA COc1cccc(C(=O)NC[C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1OC 12444968 FSAAFPOEZRFJRD-OAHLLOKOSA-N 414.506 2.833 0 50 HFAA COc1ccc(NC(=O)COc2ccc(/C=C3/SC(=N)NC3=O)cc2OC)cc1 13914686 ZBZRKBJWYRCFOK-LICLKQGHSA-N 413.455 2.860 0 50 HFAA COc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 19973543 CZZWBJGHEZQWDE-UHFFFAOYSA-N 415.515 2.947 0 50 HFAA O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 33359533 NNIDLEKGOXOEOI-UHFFFAOYSA-N 413.543 2.575 0 50 HFAA COc1cccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c1 39461082 SZPLOCUNWGWUFV-GOSISDBHSA-N 400.548 2.782 0 50 HFAA CCOc1ccccc1CN1CCN(Cc2cccc(OCCO)c2)C[C@@H]1CCO 77002470 FDSIPWSRTHPFSR-QFIPXVFZSA-N 414.546 2.525 0 50 HFAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)cc1 77539525 GUBQXANCJNDGSV-WOLJRWFJSA-N 414.505 2.862 0 50 HFAA COCC(=O)Nc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)c2c(c1)nc(-c1ccncc1)n2C 102350652 WJVLZZNOQJMCSC-YOEHRIQHSA-N 419.485 2.845 0 50 HFAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCC2 239025431 BPFSYJSIHHQYFS-BQGCOEIASA-N 418.515 2.726 0 50 HFAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239306121 GLLCMJANBCAWNW-MAKYCWLISA-N 413.857 2.508 0 50 HFAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1 438254721 RXYLOURFXPLUDO-KRWDZBQOSA-N 408.568 2.692 0 50 HFAA CCc1cccc(NC(=O)CCC(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 823531420 VHGUCJJDUVALAC-WVKNIADZSA-N 422.533 2.819 0 50 HFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)C1CCN(C(=O)c2ccccn2)CC1 827758061 AZAHIPPQBCGXOZ-GOSISDBHSA-N 412.559 2.776 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)Cc2cccc3c2OCCO3)CC1 1875383481 WMEKVMPXAOEFDA-UHFFFAOYSA-N 420.509 2.863 0 50 HFAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 2325823905 IGKNGFFANZEPQI-JBBXEZCESA-N 402.859 2.791 0 50 HFAA Cc1cccc2nc(C(=O)N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)c(F)n12 2356157669 QBSXCXZADZBEEE-QFIPXVFZSA-N 408.481 2.758 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(I)cc1 626397 HFQVXWWHZXSCSK-UHFFFAOYSA-N 406.179 2.526 0 50 HFAA Cc1ccccc1NC(=O)Cn1cnc2ccc(I)cc2c1=O 638848 ODDZGINIUKXUIX-UHFFFAOYSA-N 419.222 2.948 0 50 HFAA Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1Cl 2779037 YIENNLXJVARAKE-VIFPVBQESA-N 405.911 2.820 0 50 HFAA CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 6593805 GSZKCWOKKRCLHD-UHFFFAOYSA-N 422.572 2.643 0 50 HFAA CCc1ccc(-c2cn3c(C(=O)NC[C@H]4CCS(=O)(=O)C4)csc3n2)cc1 12314295 QQHNYQVMFLLDQP-CQSZACIVSA-N 403.529 2.790 0 50 HFAA CSc1ncc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cn1 12457922 OJXOXMOMKUYOAJ-KRWDZBQOSA-N 405.612 2.743 0 50 HFAA COc1ccccc1[C@@H]1CN(CC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 14993912 LBXPOJSNNAAZMS-QFIPXVFZSA-N 406.486 2.713 0 50 HFAA CCOc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)ccc1O 16675984 RMWGNDWCBFGYRD-NSIKDUERSA-N 418.272 2.719 0 50 HFAA COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2OC)cc1 17945666 JZVNPHAEVHMMIA-UHFFFAOYSA-N 413.455 2.686 0 50 HFAA O[C@H](COc1ccccc1CNCCN1CCCC1)CN1CCc2ccccc2C1 20776481 VAMBVYRTYHBVBP-DEOSSOPVSA-N 409.574 2.670 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccncc2C)n1C[C@@H]1CCCO1 55037112 VIVYBYUYNIAIOX-IBGZPJMESA-N 406.552 2.581 0 50 HFAA COC(=O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1 64859202 HYOHKXGCEWCBKE-CMZJMVFISA-N 404.503 2.630 0 50 HFAA in-vitro COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCSCC3)c2)cc1F 71751388 NDXNYQIONFLJAJ-UHFFFAOYSA-N 411.476 2.937 0 50 HFAA COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 148387032 JFYDCBQMLUGBIM-IAQYHMDHSA-N 401.290 2.866 0 50 HFAA O=C(NCc1ccccc1)c1c(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCC2 225772188 ODXAJUVPHCHZLB-LTDCPUDJSA-N 422.506 2.834 0 50 HFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 239402707 RCBFQKMGBAZRPC-FOIQADDNSA-N 416.499 2.886 0 50 HFAA O=C1N[C@@H](CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)Nc2ccccc21 253413571 VDMQJUIFJDMFTL-IBGZPJMESA-N 422.872 2.847 0 50 HFAA biogenic CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 498331844 HQHVUPGPWWLZFF-IEBWSBKVSA-N 419.481 2.749 0 50 HFAA CCOc1cc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl 670461183 KNZCETGMCSDDSI-ZDUSSCGKSA-N 400.928 2.666 0 50 HFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 783938653 IJMQZJHZNMNOIM-HYVNUMGLSA-N 402.495 2.943 0 50 HFAA Cc1sc2nc(CCNC(=O)CN3C[C@H](c4ccccc4)CC3=O)nc(O)c2c1C 827831066 NHTJPTKFWNPRRJ-MRXNPFEDSA-N 424.526 2.689 0 50 HFAA O=C(NCCOc1cccc2cccnc12)c1ccc(C(=O)N2CCOCC2)cc1 828153312 JLDCWYJMGSBFIC-UHFFFAOYSA-N 405.454 2.516 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704337804 FRGKBQGWNKEVIW-RUZDIDTESA-N 419.573 2.588 0 50 HFAA CNC(=O)CC[C@@H]1CCCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)C1 1772704868 UGYYYIRCHFUCFR-LBPRGKRZSA-N 405.426 2.930 0 50 HFAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668862 JLVDLWRDDWJJBN-GAJHUEQPSA-N 405.454 2.875 0 50 HFAA COC1(C(=O)N(C)Cc2cc(-c3ccccn3)no2)CCN(c2ccncc2)CC1 1857697807 NCUSHNFBIXUEEX-UHFFFAOYSA-N 407.474 2.776 0 50 HFAA O=C(Cc1ccc(O)c(Cl)c1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857723295 ZBPRVBHIFHGTFF-FPOVZHCZSA-N 407.869 2.542 0 50 HFAA C=CC(=O)N(C)CC(=O)N1CCC[C@]2(OC(=O)Nc3ccc(Cl)c(F)c32)[C@@H]1C 1875370761 CASHLPVACSGMBT-WLRWDXFRSA-N 409.845 2.892 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cnc4ccnn4c3C)CC1)OCC2 2356136785 JSENXBZZJOWUNW-UHFFFAOYSA-N 422.485 2.759 0 50 HFAA COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc(C)c1C 3504026 WJHAIZOJOSVIAS-UHFFFAOYSA-N 403.489 2.858 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1 4784634 QIDZCNNPVUBOFK-FXFXYLOPSA-N 410.520 2.860 0 50 HFAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 5059061 BUNNZYDTDDLTAU-QFBILLFUSA-N 414.527 2.959 0 50 HFAA COCCn1c(CN(C)[C@@H](C)c2nc(C)cs2)cnc1S(=O)(=O)CC1CC1 12306641 YGGRAXJGIQYMIE-AWEZNQCLSA-N 412.581 2.671 0 50 HFAA Cc1ccoc1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CC2CC2)C1 14539385 ARUIAONYFDAICQ-UHFFFAOYSA-N 419.485 2.718 0 50 HFAA O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19333960 NDLHVEJJQWWOTD-ZYHUDNBSSA-N 420.145 2.543 0 50 HFAA O=C1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H](OCC2CC2)CN1Cc1ccccc1 20208332 HVMVQUIRXHTTEG-FYYLOGMGSA-N 420.509 2.656 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3ccc4ccccc4c3)C[C@H]2C(=O)NC)CC1 23362558 XVNXLUWCIQHBMW-VWNXMTODSA-N 408.590 2.993 0 50 HFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1Cl 55053952 OMDNNMWTKUVYKF-UHFFFAOYSA-N 410.703 2.653 0 50 HFAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)o1 77522288 DFBODKQHDVGXHY-UHFFFAOYSA-N 411.483 2.660 0 50 HFAA Cc1ccc(C)c(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1 95382093 DGNBBTBQJVUQMB-QUCCMNQESA-N 402.539 2.638 0 50 HFAA C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 170609612 RMPHLIVZZCECSY-GFCCVEGCSA-N 408.446 2.944 0 50 HFAA C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239135346 LCMRPRQXCZZNOH-ZHTNZKAISA-N 415.287 2.829 0 50 HFAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 252507911 WWQXYAPUQTUDAZ-NRFANRHFSA-N 420.513 2.877 0 50 HFAA CO[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 254794319 GTGUHWWGEYLROW-QBCHLVJCSA-N 418.530 2.710 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)c4ncnn4C)csc3C2)nc1 426541492 PPLMHWXPGPIPPE-AWEZNQCLSA-N 410.547 2.883 0 50 HFAA CCN(CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C1 464963056 VQWDAOYYDWFRDE-RBUKOAKNSA-N 418.607 2.881 0 50 HFAA Cc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)s1 952973232 GGDPABPGTZGZAG-CQSZACIVSA-N 401.536 2.644 0 50 HFAA Nc1nn2c(=O)cc(CN3CCC(CCc4cccc(C(F)(F)F)c4)CC3)nc2[nH]1 1473112210 MDMPLRHGOYSQMQ-UHFFFAOYSA-N 420.439 2.863 0 50 HFAA CC(C)Cc1c[nH]c(C(=O)N2CC(O)([C@@H](C)NC(=O)c3cc4ccccc4[nH]3)C2)c1 1875360603 JJGRQCSZURZNCT-OAHLLOKOSA-N 408.502 2.700 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 893197 XRVZMSYSCOVJKS-UHFFFAOYSA-N 410.495 2.995 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1 1160579 KYOLQGBKPPPQAX-UHFFFAOYSA-N 404.488 2.743 0 50 HFAA CC(C)Cn1cc(C(=O)NCCc2cccnc2)c(=O)c(C(=O)NC2CCCCC2)c1 12726695 OOXBKMYWMAWXBW-UHFFFAOYSA-N 424.545 2.934 0 50 HFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(O)cc2)CC3)cc1 14747382 OQURAQOPHNFWKZ-UHFFFAOYSA-N 423.513 2.872 0 50 HFAA COc1ccc(F)c(C[C@]2(CCC(=O)NCCc3cscn3)CCC(=O)N2)c1 14959551 YZBTXUSGNNBSSU-FQEVSTJZSA-N 405.495 2.621 0 50 HFAA O=C1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H](OCC2CC2)CN1Cc1ccccc1 20208328 HVMVQUIRXHTTEG-GGAORHGYSA-N 420.509 2.656 0 50 HFAA CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@@H]1O 72139236 HPLWRCQIMODPPC-PMACEKPBSA-N 402.516 2.887 0 50 HFAA CN1CCC(N2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 104487228 QUSMPWLUHSTKSC-OAQYLSRUSA-N 402.970 2.851 0 50 HFAA CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C 109681790 YAYJRGIJTCLOQU-KRWDZBQOSA-N 404.536 2.633 0 50 HFAA O=C(c1cc(F)ccc1F)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777430 BMZQEGOARAARSM-UHFFFAOYSA-N 400.389 2.961 0 50 HFAA O=C(CN[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 170607324 DXRXGRWYXJHXMC-URXFXBBRSA-N 422.573 2.698 0 50 HFAA O=C(NCC[C@@H](O)C(F)(F)F)c1ncc(Br)cc1Br 225584685 VHUZPCIVFOAKJR-SSDOTTSWSA-N 405.996 2.650 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](CCSC)C(=O)OC 239310249 IGJYQBVVOMWCIQ-DSIITGHMSA-N 400.585 2.755 0 50 HFAA O=C(Nc1ccc(N2CCC(NCCc3ccccn3)CC2)cc1)c1cnccn1 299786479 MBZCQYGPXLYOOF-UHFFFAOYSA-N 402.502 2.925 0 50 HFAA O=C(Cc1ccnc(O)c1Br)Nc1cc(Br)cnc1O 446019202 HMPSFSGFXHTFDG-UHFFFAOYSA-N 403.030 2.594 0 50 HFAA Cn1ccnc1-c1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2cccnc2)C1 952969452 CWVRRDQBWGBXBO-QGZVFWFLSA-N 403.486 2.764 0 50 HFAA CCCS(=O)(=O)N1C[C@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988465 GHRAHBCNLCDWLG-DOMZBBRYSA-N 414.453 2.899 0 50 HFAA CCc1nnc(N2C[C@@H](C(=O)NCCc3cccc(C(F)(F)F)c3)CC2=O)s1 1857705998 FJFUKJQLPOAHRZ-LBPRGKRZSA-N 412.437 2.831 0 50 HFAA COc1ccc(-c2oc3c(c2CC(=O)N[C@@H](C)C(N)=O)c(=O)oc2ccccc23)cc1 2049513416 QVXVMAUUTYHRTF-LBPRGKRZSA-N 420.421 2.747 0 50 HFAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1cccc(-c2ccc(O)nn2)c1 2325720752 SKLQDYLYNYXVMA-HNNXBMFYSA-N 405.462 2.677 0 50 HFAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 1121102 ICOYENDSFPJMSB-UHFFFAOYSA-N 417.506 2.573 0 50 HFAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1 1206744 PKACDAMJNIPESY-UHFFFAOYSA-N 408.907 2.779 0 50 HFAA O=C(Cn1c([C@@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21)N1CCOCC1 12062204 IMHKDXINMLZRGL-QGZVFWFLSA-N 410.518 2.544 0 50 HFAA CC(=O)N[C@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 71759412 FMUNPEQXAHMGMB-INIZCTEOSA-N 403.552 2.513 0 50 HFAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 100153674 GYBLZJYMOSWGBW-SFHVURJKSA-N 415.852 2.569 0 50 HFAA O=C1N[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)CS[C@H]1Cc1ccccc1F 170608082 DSSFQLFCSHXPLI-UXHICEINSA-N 420.550 2.919 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12 249696525 SSKZODUQLBCJAM-UKDJSQQHSA-N 415.493 2.528 0 50 HFAA CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)ccc1OC 252516124 QESMWSNNXJTCIK-STXHMFSFSA-N 418.515 2.594 0 50 HFAA O=C(c1cc(-n2cnnn2)ccc1O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506404963 BCGPPTLUBVKYEC-MIZPHKNDSA-N 419.485 2.660 0 50 HFAA CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CCSCc3ccccc3)C[C@@]2(CO)C1 1772702105 PODSAPLNRWOMLL-AVRDEDQJSA-N 404.576 2.635 0 50 HFAA CSCC(=O)N1C[C@H]2CN(CCc3nccn3C)C[C@@]2(CCc2ccccc2)C1 1772712873 SPQRGPWFBGKAEH-OFNKIYASSA-N 412.603 2.719 0 50 HFAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)c1C 1875249343 WDSRSOLHQOLZLY-VQTJNVASSA-N 414.527 2.943 0 50 HFAA CC(=O)c1ccc(C(=O)N2CCCCN3CCCC[C@@H]3CC(=O)NCCC2)s1 2100534177 XDKWHBAGELTHSP-QGZVFWFLSA-N 405.564 2.938 0 50 HFAA COc1cc2c(cc1OC)C1(CCN(c3ccc(S(C)(=O)=O)cn3)CC1)OCC2 2356133803 FCIYXFFNNLNLIS-UHFFFAOYSA-N 418.515 2.571 0 50 HFAA CCN1C(=O)CO[C@H]2C[C@@H](C(=O)N3CCC(OC)(c4ccccc4)CC3)CC[C@@H]21 2356167579 TZQCQNZANXDEML-IHPCNDPISA-N 400.519 2.567 0 50 HFAA Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 779586 TYJIBQXJOOWYCE-UHFFFAOYSA-N 408.907 2.560 0 50 HFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 1126238 UKJOVAWICLUMQN-UHFFFAOYSA-N 404.488 2.826 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4661956 HXILROOZAIOVEG-GOSISDBHSA-N 402.472 2.573 0 50 HFAA CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 4999156 JYZPEERYRMJGPM-UHFFFAOYSA-N 423.538 2.809 0 50 HFAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCC(C)CC1 11403571 DTGZLORYCFNIGE-UHFFFAOYSA-N 419.526 2.718 0 50 HFAA CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCC[C@@H](c3ccccc3)C2)CC1 11843348 RECDSYCHJBBWDM-HXUWFJFHSA-N 409.534 2.885 0 50 HFAA COc1ccccc1CCNc1ncnc2sc(C(=O)N(C)CCO)c(C)c12 12157003 RFJFPLNOEDFDKB-UHFFFAOYSA-N 400.504 2.727 0 50 HFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14542102 JVNZDKADPXEIKR-LJQANCHMSA-N 412.534 2.683 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3cnn(C)c3)nc(C)c2c1 14886932 RLFHJZOTBUHKOX-OAQYLSRUSA-N 422.533 2.740 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)CC1 14975064 QWJUMVRPOQTGGE-IBGZPJMESA-N 418.534 2.734 0 50 HFAA CC1CCN(Cc2nnnn2CC(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC1 15062521 BOHWMUOSFUWPCP-UHFFFAOYSA-N 410.444 2.582 0 50 HFAA COc1cc(CNCCCN2CCOCC2)ccc1OCC(=O)Nc1ccccc1 20513036 JPDGRCPWXMSXPY-UHFFFAOYSA-N 413.518 2.525 0 50 HFAA CCOC(=O)c1cnn(-c2ccccc2C)c1CN1CCC[C@H](c2nncn2C)C1 20920839 DRAVDBOFIQAJAH-KRWDZBQOSA-N 408.506 2.866 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 20999655 HFFVJILCCAODNA-FQEVSTJZSA-N 424.545 2.783 0 50 HFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N3CC[C@H](N(C)C)C3)CC2)CC1 55072825 YLQKHEALYBWQCA-DEOSSOPVSA-N 412.622 2.834 0 50 HFAA CN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 67726711 SIWNVMFGHXOREW-GOSISDBHSA-N 408.477 2.913 0 50 HFAA O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244564017 CLDRRSFCKXPPSV-FZNQNYSPSA-N 417.897 2.503 0 50 HFAA C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1/sc3ccccc3n1C)C2=O 253413402 SAYDOVGLEGTGAJ-MDGMCBNPSA-N 414.531 2.804 0 50 HFAA O=C1NCCN(C(=O)c2cc3c(s2)CCOC3)[C@H]1c1cccc(Br)c1 498514090 AKLCLRMRUXRWPT-INIZCTEOSA-N 421.316 2.897 0 50 HFAA CCc1ccc(CN2C[C@H](C(=O)Nc3ccc(OC)c(C(=O)N(C)C)c3)CC2=O)cc1 823517596 IYKPWQGLSSOIFW-GOSISDBHSA-N 423.513 2.947 0 50 HFAA CC1(C(=O)N2CCC3(CC2)CN(C(=O)c2cncc(O)c2)CCO3)CCCCC1 828930806 GTVWUTASRXHDCL-UHFFFAOYSA-N 401.507 2.591 0 50 HFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(Cc4ccc(Cl)cc4)nn23)C1 951726671 HKHCBBDUNPDRQR-LBPRGKRZSA-N 411.940 2.569 0 50 HFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@H](OCc3ccccn3)C2)CC1 952970306 RCNJKNQACPOZKW-FQEVSTJZSA-N 408.502 2.537 0 50 HFAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H](OC3CCC3)C2)c1)C(F)(F)F 1475442867 FANMLWXTWQMYCP-AWEZNQCLSA-N 406.426 2.910 0 50 HFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 1529158509 FOTGYIGCBGFXHX-KRWDZBQOSA-N 419.485 2.786 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)COc2ccc(C)c(C)c2)cc1OC 1529171894 FPFCYOBNITYUOM-FYYLOGMGSA-N 415.486 2.660 0 50 HFAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704298926 LIPDUBBFXNKQLG-UZUQRXQVSA-N 404.514 2.831 0 50 HFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875256889 FXXZGFRWOJITSV-DNVCBOLYSA-N 408.907 2.663 0 50 HFAA C[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2cc(Br)cc(C(=O)O)c2)C1=O 2325827493 IAWVHBXCJMUYMM-NHYWBVRUSA-N 424.295 2.837 0 50 HFAA Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)[C@H]1NC(=O)C[C@@H]1C 2325861024 CPLYZNASHGGEDI-SJCJKPOMSA-N 411.296 2.852 0 50 HFAA O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 3334549 OOYICIFAWLPKNJ-HXUWFJFHSA-N 400.500 2.515 0 50 HFAA COC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@H]1c1cc(C)ccc1C 4810288 SKWOMJSSELJLJR-INIZCTEOSA-N 408.380 3.000 0 50 HFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12373010 PGVSSPHDTXMXLJ-GOSISDBHSA-N 411.506 2.909 0 50 HFAA CCN1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)CC1 14534247 FLJCOLSCVILCKQ-OAQYLSRUSA-N 405.558 2.995 0 50 HFAA O=C1C(=O)N(CN2CCN(c3ccccc3F)CC2)c2ccc(Br)cc21 20146391 AZXKDCKTWNFGRG-UHFFFAOYSA-N 418.266 2.897 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)cc1 77424771 DBLGVWNIKQHXIJ-BLRYILKCSA-N 420.513 2.521 0 50 HFAA O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 169352523 HUZHMAUCVLUFKA-TZMCWYRMSA-N 421.346 2.689 0 50 HFAA CCOCCCNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760271 RBOCHDYCHVZAMT-UHFFFAOYSA-N 408.502 2.580 0 50 HFAA C[C@@H](c1ccccc1)N1CC[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)C1 221826784 CAJFZHOCRYSIBG-RBBKRZOGSA-N 407.562 2.545 0 50 HFAA CC[C@H](C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 245324871 BHKTUHAQVLFBBP-VRZXOPLZSA-N 421.472 2.792 0 50 HFAA O=C(CN[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 252584940 DXRXGRWYXJHXMC-ZJSXRUAMSA-N 422.573 2.698 0 50 HFAA Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](c3ccccc3F)N3CCOCC3)cn2)n1 461868751 AJDHLYKUHLHDKG-QFIPXVFZSA-N 423.492 2.713 0 50 HFAA COC(=O)c1cc(S(=O)(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c(C)cc1F 813691200 VESWGCUELQENPN-HNNXBMFYSA-N 411.426 2.902 0 50 HFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1506397280 KUSVOMFUZGZJEZ-UHFFFAOYSA-N 415.559 2.654 0 50 HFAA CCCCCc1nnc(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)s1 1506412769 OLVFRWWVCRASMI-INIZCTEOSA-N 401.536 2.600 0 50 HFAA CCN1CCN(CCOc2ccc(CN3CCC[C@]4(CCC[C@H]4O)C3)cc2)CC1 1704341496 URXOENFMEATTAS-DNQXCXABSA-N 401.595 2.830 0 50 HFAA Cc1nn(C)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c1Cl 1857711061 ZBTKTDICZPNVSX-HRCADAONSA-N 409.317 2.980 0 50 HFAA O=C(O)c1c(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nn2c1CCC2 1875342870 KZLBFEWDNOVNRP-UHFFFAOYSA-N 424.693 2.966 0 50 HFAA O=C(c1ccc(I)o1)N1CCN(c2ccc(F)cc2)CC1 1122049 BJWVXCXLUAASKS-UHFFFAOYSA-N 400.191 2.986 0 50 HFAA COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 2848193 GFANANNDQZCQLA-UHFFFAOYSA-N 412.895 2.925 0 50 HFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 4867794 XPFOHPBCURWHTH-UHFFFAOYSA-N 400.928 2.808 0 50 HFAA COC(=O)c1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc(C(=O)OC)c1 9013621 CAQZNWWQKPNNST-MRXNPFEDSA-N 414.439 2.701 0 50 HFAA Cc1nn(CC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c(=O)c2ccccc12 11816456 HDJJXFOUSBBPPG-HXUWFJFHSA-N 404.514 2.828 0 50 HFAA COc1ccc(Cc2nc3ccc(C(=O)NC[C@@H]4COCCO4)cc3o2)cc1OC 12004287 PDXCCBIPAIGPAJ-MRXNPFEDSA-N 412.442 2.581 0 50 HFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)n1 12712755 FVXJPFUFABEVFY-CYBMUJFWSA-N 406.412 2.977 0 50 HFAA CC[C@@H](COC)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O 15003272 GUFUTMHECMNCQO-HNNXBMFYSA-N 403.523 2.791 0 50 HFAA CCN1CCN(CC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 19794853 LOXSGRKDXXAGQV-QGZVFWFLSA-N 411.468 2.764 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1ccccc1 20345210 IXGKFDJPGMTABB-UHFFFAOYSA-N 419.412 2.830 0 50 HFAA Cc1cc(-c2nnc(CCC(=O)N3CCN(c4nc5ccccc5s4)CC3)o2)no1 67851974 PSSGEHYSGVGNBZ-UHFFFAOYSA-N 424.486 2.924 0 50 HFAA Cc1ccc2nc(Cn3nc(C4CCNCC4)n(Cc4ccccc4)c3=O)cn2c1 71776265 ORHJCCJWNGFHNF-UHFFFAOYSA-N 402.502 2.565 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1C 104495510 QPCSLGIPVANGSB-HXUWFJFHSA-N 400.519 2.787 0 50 HFAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 116785827 YQTDNBMNJIMTOJ-HNNXBMFYSA-N 411.568 2.974 0 50 HFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccc(Br)cc1 136647617 WFRSXQCBXDKKBP-OKZBNKHCSA-N 412.287 2.985 0 50 HFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCCN12 249696526 SSKZODUQLBCJAM-VWEIPLKFSA-N 415.493 2.528 0 50 HFAA CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)c1ccc(C(F)(F)F)nc1C 252483589 FFPNWOFMCQLZDV-CHWSQXEVSA-N 402.369 2.508 0 50 HFAA Cc1cc(N2CCNC2=O)ccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 253424503 HDMHSZPHIHGYSU-UHFFFAOYSA-N 408.506 2.706 0 50 HFAA CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 299783363 YMGZQQWQEAWHAU-DENIHFKCSA-N 400.482 2.620 0 50 HFAA Cc1cnc2c(S(=O)(=O)N3CCC[C@H](c4nn(C)cc4C(=N)O)C3)cccc2c1 328605970 PYIMFWPLNSRABG-HNNXBMFYSA-N 413.503 2.728 0 50 HFAA Cc1cc(C(C)(C)NC(=O)c2cc(S(N)(=O)=O)oc2C)ccc1Br 428139701 UPPDIJQEZBUZAY-UHFFFAOYSA-N 415.309 2.971 0 50 HFAA COc1ccccc1CN1C[C@H](C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1=O 952967588 LHCPIGWDWRDSQY-QGZVFWFLSA-N 405.458 2.776 0 50 HFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H]3C(=O)Nc4c(F)cccc43)C2)n1 1291767207 SYKUBIVOZNCCLG-GOEBONIOSA-N 410.449 2.832 0 50 HFAA COCCc1noc(CN(CCc2ccc(OC)c(OC)c2)Cc2ccncc2)n1 1529197227 MBRAYSKOMVQHGO-UHFFFAOYSA-N 412.490 2.916 0 50 HFAA CN(C)CC1(C(=O)NCCCNC(=O)C2(CN(C)C)CCCCC2)CCCCC1 2325724249 NEBLXIZRAJVJLI-UHFFFAOYSA-N 408.631 2.633 0 50 HFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCS(=O)(=O)CC3)[C@H]2C(C)C)cc1 2325890037 UZAPKPVEMJNHJN-LJQANCHMSA-N 404.532 2.511 0 50 HFAA CCN(CC)CCn1c(=N)n(C[C@@H](O)COc2ccccc2OC)c2ccccc21 1235472 QBTLXKVNYXGYLM-GOSISDBHSA-N 412.534 2.713 0 50 HFAA COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 2178512 LQQYUWYEOUBXOY-PFSWGADMSA-N 414.389 2.779 0 50 HFAA COc1cccc(CN2C[C@@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)c1 11998689 OGVWPONAVGXVBQ-FQEVSTJZSA-N 422.525 2.944 0 50 HFAA Cc1cccn2c(CN[C@H](C)CCCC(C)(C)O)c(C(=O)N3CCOCC3)nc12 12316208 JGJPOZRQXJWJNP-QGZVFWFLSA-N 402.539 2.534 0 50 HFAA O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCCCn1nnc2ccccc21 12573232 VPHAGJCMKSWPBU-HSZRJFAPSA-N 405.502 2.609 0 50 HFAA CC(C)CN1C(=O)N(C)C2(CCN(C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)C1=O 14531802 HXLXBSUEHQHDAQ-KRWDZBQOSA-N 415.534 2.979 0 50 HFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(Cl)cc1)C2 14535132 KQWXXHLBFMUGOS-MRXNPFEDSA-N 404.967 2.910 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 15066045 REHXBTIVPLTWBB-IBGZPJMESA-N 412.534 2.949 0 50 HFAA COc1ccc(CCN2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)cc1OC 19878562 OZZAPKBGNBWNSO-GOSISDBHSA-N 415.467 2.864 0 50 HFAA COCCc1nc2ccc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc2o1 20455490 CYWHFJCVQTWYME-UHFFFAOYSA-N 409.486 2.854 0 50 HFAA Cc1cccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 95512684 PVEMXEDYAGBFPM-JOCHJYFZSA-N 408.546 2.901 0 50 HFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1Br 225676669 QAUKZHUUEBUHIB-WISYIIOYSA-N 417.053 2.804 0 50 HFAA O=C(NCCc1ccncc1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263615137 ATLOQZVCGYWHTB-UHFFFAOYSA-N 401.466 2.975 0 50 HFAA CNC(=O)[C@@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 426574722 LIEGEBJARZWIJJ-OAHLLOKOSA-N 416.547 2.509 0 50 HFAA O=C1CCc2cc(S(=O)(=O)N3C[C@H]4CCC(=O)c5cccc3c54)c(F)cc2N1 463798555 KFXCPGWZUITRAB-GFCCVEGCSA-N 400.431 2.979 0 50 HFAA CSCC(=O)N1C[C@H]2CN(C(=O)Nc3cc(C)ccc3C)C[C@@]2(CN(C)C)C1 1772811012 RTGGQZAAXPRZJD-LAUBAEHRSA-N 404.580 2.520 0 50 HFAA COc1ncccc1CN1C[C@@H]2[C@H](CNC(=O)c3cc(C)oc3C)[C@H]3CC[C@]2(C1)O3 1857736645 UYDKATDNZIDAGS-DZCCDHAISA-N 411.502 2.709 0 50 HFAA O=C(C[C@H]1CNc2ccc(Br)cc21)N[C@H]1C(=O)NCc2ccccc21 2325860578 LXVHFQUTHBHXQC-KPZWWZAWSA-N 400.276 2.836 0 50 HFAA CCn1cc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)n1 2802731 GQQXQLJPBYAKIA-ZBFHGGJFSA-N 422.526 2.629 0 50 HFAA CC(C)(C)SCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 2988486 NNBUTAGOITVFLQ-UHFFFAOYSA-N 423.398 2.863 0 50 HFAA CC(C)(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 2995138 OTHHDLKULAPMNC-UHFFFAOYSA-N 422.478 2.707 0 50 HFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 4113550 IGSAPZUOAZDRCW-MRXNPFEDSA-N 410.492 2.637 0 50 HFAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 5610795 JHVHGLONBRBKTP-UHFFFAOYSA-N 411.819 2.705 0 50 HFAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSc2nnc(N)s2)C1 11934378 YHGRYEPCBGJNCG-INIZCTEOSA-N 419.620 2.934 0 50 HFAA Cc1nonc1CNCc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3 12151659 VSNXHFZHVGKQKR-UHFFFAOYSA-N 401.470 2.915 0 50 HFAA COC[C@H](O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12612157 UEOHAANVNZUNAY-QGZVFWFLSA-N 410.942 2.863 0 50 HFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3cccc(Cl)c3)C[C@H]12 14538853 ANKSJJTVQMLAOF-LEWJYISDSA-N 422.916 2.575 0 50 HFAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 14747622 FKNVHVNHLAXKAV-UHFFFAOYSA-N 421.497 2.887 0 50 HFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72437276 PCCAUYPQOJOROX-UHFFFAOYSA-N 424.505 2.592 0 50 HFAA Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)cc(-n2cnc(C)c2C)n1 82230328 XOHHDJULCWQKBE-UHFFFAOYSA-N 404.518 2.869 0 50 HFAA CN(CC1(CO)CCC1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91504885 AQQVZMYSOCGNDN-UHFFFAOYSA-N 410.301 2.902 0 50 HFAA COCCCN(C)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91713656 TUWPJTKBGLWWLR-JOCHJYFZSA-N 413.606 2.825 0 50 HFAA O=C(c1cc(F)ccc1F)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95518546 DNDLBZDZFXKCQN-UHFFFAOYSA-N 400.429 2.614 0 50 HFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1 239306262 GQFZBTNIZROOPP-WKLICJCCSA-N 415.287 2.831 0 50 HFAA O=C(NCCCCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O 239338738 LCZDXNPZDNPEER-XMTFNYHQSA-N 424.538 2.561 0 50 HFAA COCCN([C@@H]1CCO[C@@H]1C)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 685598364 SMIUITLVHQAXID-RDTXWAMCSA-N 417.487 2.704 0 50 HFAA CN(C)c1ccc(C2(C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)CC2)cc1 815890428 HKTJBVSMYGWPLV-UHFFFAOYSA-N 413.543 2.593 0 50 HFAA C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)C1=O 888105502 FTFXLSHTRDFDME-HYBUGGRVSA-N 406.482 2.693 0 50 HFAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN2CCC[C@@]3(CCC(=O)N(C)C3)C2)c1 952868416 NYLBWBNSDMEIGX-VWLOTQADSA-N 412.622 2.885 0 50 HFAA CCn1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c(=O)c2ccc(C)nc21 952984221 JBIWEQGGKVQTSV-FQEVSTJZSA-N 414.469 2.631 0 50 HFAA O=C(c1ccnc(-n2cnnc2)c1)N1CCCN(c2nc3ccccc3s2)CC1 1506399594 OTTQCNZBOLYKSF-UHFFFAOYSA-N 405.487 2.625 0 50 HFAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3cnc(N4CCOCC4)s3)ccc2n1C 1772812186 IGLRXQMLPNRTKU-CYBMUJFWSA-N 410.503 2.772 0 50 HFAA CC(C)n1cc(-n2ccnc2-c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cn1 1857694765 WTBUZRIOKUQXCD-HXUWFJFHSA-N 409.490 2.991 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCC4(CO)CCCC4)CC3=O)sc2c1 1857720104 DWZXBGNQHXFGKV-AWEZNQCLSA-N 417.531 2.717 0 50 HFAA Cc1ccncc1C(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3Cl)C[C@H]2C1 1875322481 UYTSDOQMYIINBE-HUUCEWRRSA-N 401.898 2.699 0 50 HFAA O=C([C@H]1C[C@H]1C(=O)N1CCOc2cccc(F)c21)N1CCOc2cccc(F)c21 2325741827 LSKLWQDTQISJPT-BETUJISGSA-N 400.381 2.752 0 50 HFAA Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cc(Br)co2)C1 2325826476 CAQFQAIZWUEUML-NOZJJQNGSA-N 410.268 2.781 0 50 HFAA C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(-c2cnn(C)c2)c1 2325872827 OJYWTYDRBUOBEP-RLBUUEIYSA-N 407.518 2.638 0 50 HFAA CCOC(=O)c1c(NC(=O)c2cc(C(=O)OCC)n(C)n2)sc2c1CCCC2 2765223 CSDWRQIRXZMAPT-UHFFFAOYSA-N 405.476 2.966 0 50 HFAA COc1ccc(OC)c([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)c1 4724032 IRLOFTKFVMICCF-FQEVSTJZSA-N 405.458 2.901 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc(F)c2)c1=O 12219022 ZLCKEDCGHKUHFM-UHFFFAOYSA-N 407.445 2.520 0 50 HFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 15066046 REHXBTIVPLTWBB-LJQANCHMSA-N 412.534 2.949 0 50 HFAA CCc1noc(CN(CC)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 19144768 HEEGYBIOBQPSSY-INIZCTEOSA-N 402.470 2.601 0 50 HFAA Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCCCN3CCOCC3)c12 20869468 HUQJYDJFKJJXBB-UHFFFAOYSA-N 403.552 2.760 0 50 HFAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)on1 77323199 WIQBROAJGPEKTE-JCUDRXCFSA-N 421.497 2.540 0 50 HFAA CC(=O)c1c(C)nn(CC(=O)N(C)CC2CCN(Cc3ccc(C)o3)CC2)c1C 95530967 RCLPDJUJBUPQKB-UHFFFAOYSA-N 400.523 2.975 0 50 HFAA COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)c1 169780736 RUYCSQSEGCFNQN-UHFFFAOYSA-N 414.437 2.510 0 50 HFAA CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 170591726 SPFWFLMGZCIGAX-HXUWFJFHSA-N 420.556 2.778 0 50 HFAA CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)OC4(CCOCC4)C3)cn2)CC1 447977882 PVGPKVMPOSRYDC-SFHVURJKSA-N 402.539 2.797 0 50 HFAA Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)cnc21 485387756 UXOSWHWHXJGDTP-UHFFFAOYSA-N 408.439 2.502 0 50 HFAA O=C(CCc1nc[nH]n1)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952892921 JXEWCBJODZWUAO-QGZVFWFLSA-N 424.358 2.659 0 50 HFAA COc1cc(-c2onc(NC[C@H](O)CN3CCCCCC3)c2C(=O)O)ccc1F 1704325780 QXMUWWXXSCETES-AWEZNQCLSA-N 407.442 2.836 0 50 HFAA O=C(CCc1ccncc1)N1C[C@H]2CN(CCSc3ccccc3)C[C@]2(CO)C1 1772712594 VCPFHOHCJNVXQV-NFBKMPQASA-N 411.571 2.559 0 50 HFAA O=C(NCc1cc(C2CC2)on1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857715680 COPDCDSBQDNUDU-OAHLLOKOSA-N 423.498 2.664 0 50 HFAA CC1(C)C[C@@H](CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)CCO1 2100547324 FTGIFOZMZWOCQO-KRWDZBQOSA-N 416.566 2.504 0 50 HFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 1142080 YPQKRQQZTWUOFN-CQSZACIVSA-N 421.494 2.759 0 50 HFAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 4491654 GSZGVFBERPXEBV-OAQYLSRUSA-N 421.497 2.565 0 50 HFAA CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 11820497 RANQSXNRTFHOMZ-NRFANRHFSA-N 410.537 2.972 0 50 HFAA CC(C)S(=O)(=O)c1ncc(CN2CCC[C@H](CO)C2)n1CCc1ccccc1 12306873 QCBMHRTZQQBLAA-IBGZPJMESA-N 405.564 2.512 0 50 HFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)C2CCCCC2)c1 12455582 RTEWLXLGZFCDIX-NRFANRHFSA-N 406.567 2.656 0 50 HFAA CCCN1CCC(NC(=O)CCc2nnc(CCc3ccc(OC)cc3)o2)CC1 12459829 QKVOYZHGYXKVCU-UHFFFAOYSA-N 400.523 2.787 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CN2CCCCC2=O)C1 12573264 JTCMSEXJBIENKO-HSZRJFAPSA-N 400.519 2.722 0 50 HFAA COc1ccc(/C=C/CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc1 19794345 KODRBOFEFKNKTJ-OIUIXCLQSA-N 401.595 2.950 0 50 HFAA CC1(C)OC[C@@H](C(=O)O)N1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 71788193 XUBXHZJERGBCEL-IBGZPJMESA-N 424.453 2.573 0 50 HFAA in-vitro O=S(=O)(c1ccccc1Cl)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 82230360 TXPZYKXQXOSSIM-UHFFFAOYSA-N 421.954 2.631 0 50 HFAA O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)Nc1ccc2c(c1)OCCO2 169768432 JLRCWLLNUCFIPC-UHFFFAOYSA-N 405.454 2.998 0 50 HFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccc(N(C)C)c4)CC3)nn2)n1 169777497 HMVCUMHIZQBXCD-UHFFFAOYSA-N 409.494 2.995 0 50 HFAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCCN3CCOC[C@H]3C)c12 170616660 PEJOPRXBYCTFFU-CYBMUJFWSA-N 400.504 2.883 0 50 HFAA CC(C)C[C@@H](NC(=O)Cn1cc(-c2ccccc2)ncc1=O)c1nnc2ccccn12 223238072 FFZOXGYAHVWFEW-GOSISDBHSA-N 416.485 2.857 0 50 HFAA COc1cccc(OC)c1[S@](=O)Cc1nnnn1-c1ccccc1Br 471836436 QFDNXAJXHLKIOS-RUZDIDTESA-N 423.292 2.750 0 50 HFAA COc1ccc(C2(C(=O)N3CC[C@H]4[C@@H](C3)CN4Cc3cnn(C)c3)CCCC2)cc1 1775984287 MXEFKRBLWRJJOQ-UGKGYDQZSA-N 408.546 2.973 0 50 HFAA Cc1ccc(Br)cc1C(=O)N(C)CC(=O)Nc1ccc(F)c(C(N)=O)c1 1857530817 FBLQQTDWHLJSSE-UHFFFAOYSA-N 422.254 2.706 0 50 HFAA Cc1ccc2oc(N3CCC(C(=O)NCc4ccc5nc(O)[nH]c5c4)CC3)nc2n1 1857711625 ITTXIPYSAXFPRJ-UHFFFAOYSA-N 406.446 2.646 0 50 HFAA CC(C)c1noc(C2CCN(C[C@@]3(O)CCCN(c4ccncc4F)C3)CC2)n1 1857718414 IKEMIOMIOSOOIO-NRFANRHFSA-N 403.502 2.938 0 50 HFAA Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2C[C@@H](C)c3ccccc32)c1 2325712329 ZHOCQZAFYWFADT-VQIMIIECSA-N 414.527 2.678 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 972362 DZIKHZMMSSSGQY-UHFFFAOYSA-N 420.487 2.585 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cc1OC 5388766 ZSZYFXGYEKAJTQ-UHFFFAOYSA-N 413.861 2.897 0 50 HFAA NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 9635650 AOPKOTCCAIKDTM-UHFFFAOYSA-N 423.494 2.559 0 50 HFAA COc1cc(CN2CCC3(CC2)C[C@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1O 11840630 UDAQKEQMUYGIBP-JZXOWHBKSA-N 418.534 2.647 0 50 HFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3ccccc3)c2)CC1 11879365 VNSOZHZYBIMMQN-JOCHJYFZSA-N 412.530 2.601 0 50 HFAA CSCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 12072682 DOFCEGCXQAIJTE-UHFFFAOYSA-N 416.503 2.781 0 50 HFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)nc(N)n1 12074283 RLDUDFIEPOKFTN-OAQYLSRUSA-N 401.461 2.774 0 50 HFAA CC(C)CCn1cc(C(=O)NCCc2ccncc2)c(=O)c(C(=O)NC(C)(C)C)c1 12247511 NFANVHBNMXTXFY-UHFFFAOYSA-N 412.534 2.790 0 50 HFAA O=C1CC[C@@](CCC(=O)N2CCc3ccccc3C2)(Cc2ccc3c(c2)OCO3)N1 12279659 YTZMVJGPOCBPCZ-XMMPIXPASA-N 406.482 2.972 0 50 HFAA C[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 12326418 AZFDXSFIMIMMEB-WSTZPKSXSA-N 412.530 2.914 0 50 HFAA O=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccn3)CC2)CC1)C1CC1 12434981 UDHZYLNHDWETRJ-UHFFFAOYSA-N 408.550 2.928 0 50 HFAA COc1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc2c1OCO2 12465263 TWEGTGDGYXIIQN-GOSISDBHSA-N 404.507 2.711 0 50 HFAA Cn1ccnc1CNCc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 15074323 RHWAGROPXXSDHB-QFIPXVFZSA-N 406.530 2.508 0 50 HFAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 15074842 OZLKBCKYWFQXGF-GOSISDBHSA-N 420.510 2.718 0 50 HFAA COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 20228912 IHVPXFBEJHICCN-UHFFFAOYSA-N 416.952 2.925 0 50 HFAA CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cn(C)nc2C)c(C)n1 20608068 VLIFTNVGSXHXON-UHFFFAOYSA-N 405.499 2.784 0 50 HFAA COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)c1 38163175 GYBRWYGHTJXDSF-DOTOQJQBSA-N 423.439 2.940 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC1(c2ccccc2)CC1 55253929 ZYPRHPGQDDVJKN-IBGZPJMESA-N 415.896 2.975 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1cccc(F)c1 59314286 QTDQWHBDYXFYAS-RXVVDRJESA-N 422.460 2.557 0 50 HFAA Cc1ccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)cc1 100998392 ZQZXRTANDFLZEZ-UHFFFAOYSA-N 423.557 2.768 0 50 HFAA Cc1c(S(=O)(=O)N2CCCc3cc[nH]c(=O)c32)cnn1-c1ccccc1Cl 225392760 KLMYAILMLYPRGS-UHFFFAOYSA-N 404.879 2.664 0 50 HFAA C[C@@H]1CCCCN1CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 248059449 CRDNOLRBJKWPSQ-UYAOXDASSA-N 407.580 2.611 0 50 HFAA COCCn1c([C@@H](C)NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 252492681 MSDTUDTZQOANRB-HZPDHXFCSA-N 406.486 2.904 0 50 HFAA COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc5c(c4)OCO5)ccn3n2)c1 263618833 VSXCOHDJXQILCG-IBGZPJMESA-N 405.410 2.634 0 50 HFAA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 299754294 HWYDUEOURTYBOM-NQOGSSOHSA-N 413.562 2.685 0 50 HFAA COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc4c(n3)CCCC4)CC2)c1 446777082 NEIPTSDXADCFJA-UHFFFAOYSA-N 408.502 2.637 0 50 HFAA O=C(Cn1c(SC2CCCCC2)nc2ccccc21)N1CC[C@H](CO)[C@H](O)C1 1529118983 QZYDEVODXVPGAH-DNVCBOLYSA-N 403.548 2.663 0 50 HFAA Cc1ncc(C)c(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857694754 WHIIRVHRLCJFCK-HXUWFJFHSA-N 414.481 2.508 0 50 HFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C[C@H]21 1857700896 AXWXWNHSIYMWGW-WOGUSJMUSA-N 411.502 2.598 0 50 HFAA Fc1ccc(=NCCN=c2cc(-c3cncc(Br)c3)nc(Cl)[nH]2)[nH]c1 1875328642 DWVIKBHMLNSTDZ-UHFFFAOYSA-N 423.677 2.856 0 50 HFAA CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(N)c3N)CC[C@@H]2C1 1875329973 MQEFOZVOIUMHSK-OWCLPIDISA-N 424.549 2.758 0 50 HFAA Cc1nc(-c2cn([C@H](C)CNC(=O)[C@@]3(C)CC(c4ccccc4)=NO3)nn2)cs1 1875355070 YXFHTFNIVKMZCU-ZUOKHONESA-N 410.503 2.971 0 50 HFAA C[C@]1(C(F)F)C[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1I 2325877562 UOGOLBFMKYQZCD-BXGCZWRVSA-N 409.170 2.824 0 50 HFAA CCn1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)n1 2356157543 KUTLTQVVPAPCTN-WAGURGNTSA-N 406.530 2.987 0 50 HFAA COC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791229 XULHDSKIMUKLFF-LLVKDONJSA-N 401.444 2.761 0 50 HFAA CCn1cc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)n1 6490252 GQQXQLJPBYAKIA-GDBMZVCRSA-N 422.526 2.629 0 50 HFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697184 KPIXJHKFWXHAAL-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12150945 HGQRFLYNFNLYCA-HNNXBMFYSA-N 423.517 2.930 0 50 HFAA O[C@H](COc1ccccc1CNCCc1ccc(F)cc1)CN1CCSCC1 12754804 YYRPKDAEJBLUDC-NRFANRHFSA-N 404.551 2.947 0 50 HFAA Cc1nn(C)cc1CN1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 14533839 RCPZUCBQIPSFFJ-QHCPKHFHSA-N 419.529 2.553 0 50 HFAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCOCC3)cnc2n1C[C@H]1CCCO1 14538403 QVKGJCJMURUQCD-MRXNPFEDSA-N 416.478 2.551 0 50 HFAA CCCN1CCC(N2C[C@H](NCc3ccc(SC)cc3)C[C@H]2C(=O)NC)CC1 20210104 BYPFGDBCXGPSKI-NQIIRXRSSA-N 404.624 2.561 0 50 HFAA O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32102588 QHJRJVGESQFAIG-ZDUSSCGKSA-N 422.386 2.815 0 50 HFAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc(C(=O)O)cc1)CC(=O)N2 65362321 OETZKBVOTBLGSH-MRXNPFEDSA-N 418.457 2.743 0 50 HFAA COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc(OC)c1O 104508725 OQYCUNWKYZNNTM-HXUWFJFHSA-N 400.519 2.787 0 50 HFAA COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)n2ccccc2nc1=O 205967687 MPNQCNRVXKJHNF-INIZCTEOSA-N 418.409 2.677 0 50 HFAA CC(C)(C)c1cc(NC(=O)CN2CC[S@@](=O)CC2(C)C)n(-c2ccccc2)n1 225409270 UONMQUSMEIRXKA-MUUNZHRXSA-N 402.564 2.951 0 50 HFAA CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)C1 248317554 NFTRSCAXXPGNKG-APWZRJJASA-N 404.507 2.642 0 50 HFAA CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(CCO)C(C)C)c1=O 299802825 QQVGEHGDIRNLJY-UHFFFAOYSA-N 405.539 2.582 0 50 HFAA Cc1cc2c(N3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ncnc2s1 328605466 NVXVCRVWQDMLBO-AWEZNQCLSA-N 412.519 2.579 0 50 HFAA Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](c3ccccc3F)N3CCOCC3)cn2)n1 461868750 AJDHLYKUHLHDKG-JOCHJYFZSA-N 423.492 2.713 0 50 HFAA COc1cc(NS(=O)(=O)c2cnc(Cl)c(OC)c2)ccc1N1CCCC1=O 767445702 MXCVYROJOZLFDK-UHFFFAOYSA-N 411.867 2.680 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)n2)cc1 888088903 WWSRANKRBDWPTI-KNQAVFIVSA-N 424.545 2.642 0 50 HFAA CNC(=O)C1(C)CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1 1704307888 LTEMNFRXYUYUDN-UHFFFAOYSA-N 418.469 2.544 0 50 HFAA Cn1ccc2ccc(C(=O)N3CCC[C@]34CCCN(Cc3ccccn3)C4=O)nc21 2356134473 ONIUGRNWDBRNFU-QHCPKHFHSA-N 403.486 2.766 0 50 HFAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1 624314 RHGQPYKIHJDKJI-UHFFFAOYSA-N 407.923 2.603 0 50 HFAA COC(=O)c1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 1073083 RUWODKVXUUAKKI-UHFFFAOYSA-N 414.842 2.670 0 50 HFAA Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 1124509 QCZHZXCRRHTVLD-RDJZCZTQSA-N 415.563 2.841 0 50 HFAA COCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 2961389 BJOGCZWOSCXGEJ-UHFFFAOYSA-N 417.314 2.951 0 50 HFAA Cc1ncoc1C(=O)N1CCC(Oc2cccc(C(=O)NCc3cccnc3)c2)CC1 11821826 VOWISXRYQCSXAY-UHFFFAOYSA-N 420.469 2.992 0 50 HFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCN(C(=O)c2ccco2)CC1 11838631 KORKERSVOYNAKU-UHFFFAOYSA-N 417.368 2.723 0 50 HFAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCc1nc(-c2ccccc2)cs1 12003583 NLEZEYTXCOFRII-LJQANCHMSA-N 412.559 2.602 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4cnccn4)C3)nc(C)c2c1 12191370 SHGMKJQDUXEDHI-QGZVFWFLSA-N 420.517 2.702 0 50 HFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(COC)o1)CC2 14743746 AWTLUUJTTSWIAM-UHFFFAOYSA-N 412.490 2.640 0 50 HFAA CCN(CCO)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 14991052 OKGQEMSDKFSCIB-UHFFFAOYSA-N 407.474 2.670 0 50 HFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C3CSCCSC3)C2)c1 15074922 MZTOCXCGXMRMRM-HNNXBMFYSA-N 410.605 2.994 0 50 HFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3cc(F)cc(F)c3)cc12 19838837 IRZYZNFVRVXOOP-UHFFFAOYSA-N 418.400 2.835 0 50 HFAA O=C1CCCN1CCC1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 20406572 HEAYDAUBAJWWFS-SFHVURJKSA-N 403.910 2.696 0 50 HFAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 43191140 WJPVALWHXGUUEI-MKXGPGLRSA-N 405.841 2.937 0 50 HFAA COC[C@H]1CCCN(S(=O)(=O)NCc2cnc(-c3ccccc3OC)s2)C1 1506409627 RSXPKSPPELIGCT-AWEZNQCLSA-N 411.549 2.512 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(CSC)o2)cc1OC 1529159223 QPTOPQQNOULLTJ-RTBURBONSA-N 407.488 2.734 0 50 HFAA Cc1cc2c(cn1)CN(C(=O)Cn1nc(CC3CC3)nc1[C@H](N)Cc1ccccc1)C2 1857699657 XTPJYQNOXWFPOU-OAQYLSRUSA-N 416.529 2.719 0 50 HFAA O=C(CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1)NC1CCCCC1 2100543665 WSNVZHSENGZZDV-NFBKMPQASA-N 402.535 2.596 0 50 HFAA Cc1cc(C(=O)Nc2nnc(-c3ccccc3F)s2)cc(S(N)(=O)=O)c1C 2100544864 MFYQGQZHWQAZHT-UHFFFAOYSA-N 406.464 2.861 0 50 HFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cccc(OCCN)c3)C2)[C@@H]2CCCC(=O)N12 2356146413 FBSXURNVEWCDFB-MXNKGDRCSA-N 413.562 2.595 0 50 HFAA COc1ccc(N2C(=O)[C@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N=C2O)cc1 2399268 AXNCORLWGUAQJR-QGZVFWFLSA-N 411.311 2.784 0 50 HFAA COc1cccc(Cn2cc(NS(=O)(=O)c3c(C)nn(C(F)F)c3C)cn2)c1 2805214 XCSDPXFWTMQFEO-UHFFFAOYSA-N 411.434 2.949 0 50 HFAA CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)OC 3471481 FKBIMYKSGZVXQT-CJNGLKHVSA-N 421.515 2.842 0 50 HFAA COc1cc(CN2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)cc(OC)c1OC 11871069 UANNWUGRBFAPRM-GOSISDBHSA-N 420.550 2.998 0 50 HFAA Cc1cc(C)c(C(=O)N2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)o1 12304419 NUMKCQGMHBYDJE-UHFFFAOYSA-N 424.545 2.924 0 50 HFAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 12835925 MUYJPBPACDJIAB-ZDUSSCGKSA-N 412.392 2.682 0 50 HFAA O=C(c1cn(CCc2ccccc2)nn1)N1CCN(C/C=C/c2ccccc2)CC1 20784679 PVLMJSJLRKILGM-KPKJPENVSA-N 401.514 2.992 0 50 HFAA COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)cc1C 22851529 UGMFEBWAPWNEKQ-FQEVSTJZSA-N 408.546 2.959 0 50 HFAA Cc1nn2c(ncc3c(=O)n(N4CCN(C)CC4)ccc32)c1-c1ccc(Cl)cc1 40397637 LVESSQUOQPZUBN-UHFFFAOYSA-N 408.893 2.556 0 50 HFAA Cc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65365497 AYHOWVFKWYPATN-KRWDZBQOSA-N 404.474 2.590 0 50 HFAA C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1 68244750 SCGCBAAYLFTIJU-CQSZACIVSA-N 412.515 2.884 0 50 HFAA in-vitro Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)cc1 77539540 GUBQXANCJNDGSV-LNEBKTTKSA-N 414.505 2.862 0 50 HFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)nn2)n1 169777977 CLWGRADPJDWGHB-ZDUSSCGKSA-N 406.368 2.997 0 50 HFAA O=S(=O)(CC1CC1)c1ncc(CN2CCN3CCC[C@H]3C2)n1CC1CCCCC1 244734371 NEFQJXUKVRDJNB-FQEVSTJZSA-N 420.623 2.927 0 50 HFAA CC[C@@H](C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 252516481 STDQPPOMFNGHQX-PSHPWPFNSA-N 419.525 2.865 0 50 HFAA biogenic O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 409414498 LFRBEIYRNXNMRT-ZWKOTPCHSA-N 406.442 2.765 0 50 HFAA O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(=O)N(CCO)Cc1ccccc1 476664742 BTAXDHRNGFUSPB-QGZVFWFLSA-N 412.383 2.957 0 50 HFAA Cc1sc2nc(CCNC(=O)c3ccccc3N3CCOCC3)nc(O)c2c1C 670439078 LPGAGOFXGORAPT-UHFFFAOYSA-N 412.515 2.823 0 50 HFAA Cc1noc([C@@H](C)N(C)C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 952979687 OGJFJTRRTNXVFY-CQSZACIVSA-N 403.442 2.975 0 50 HFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1c(C)nc2ncnn2c1C 952983960 YIVCSCSOWADPEK-UHFFFAOYSA-N 407.434 2.679 0 50 HFAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCN(Cc2cccc(F)c2)CC1 1506412238 VLNGJKFSDAXPIM-UHFFFAOYSA-N 404.507 2.724 0 50 HFAA O=C(CCCOc1ccccc1)N[C@@H]1CC[C@H](NC(=O)c2ncc(F)cc2F)C1 1857676180 LEGYNJUMRZIFJX-CVEARBPZSA-N 403.429 2.986 0 50 HFAA CCc1nnc(N2C[C@H](C(=O)N(C)Cc3c[nH]nc3-c3ccccc3)CC2=O)s1 1857713763 MSJOKTRBHPEZDL-CQSZACIVSA-N 410.503 2.502 0 50 HFAA O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2CC2)C1 1875246304 LBGIESAESRRQAD-CYFREDJKSA-N 408.546 2.882 0 50 HFAA O=C1NC(=O)c2cc(NC(=O)N3CCc4nc[nH]c4[C@@H]3c3ccc(F)cc3)ccc21 1875351327 SAZIODOZQPNNBJ-SFHVURJKSA-N 405.389 2.612 0 50 HFAA COC(=O)c1sccc1NC(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 1940197334 INBFYNHKOMIHPM-YOEYROIRSA-N 411.483 2.805 0 50 HFAA C[S@@](=O)(=NS(=O)(=O)c1cc(F)ccc1Cl)C1CCN(C(=O)C2CC2)CC1 2332238891 PBXBKFZLYZMNRH-VWLOTQADSA-N 422.931 2.667 0 50 HFAA Cc1cc(C)nc(CN(C)C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)c1 2356144807 MYBXAMUELVDXLV-FPGHNAPASA-N 404.514 2.989 0 50 HFAA Cn1ccnc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356159044 JJDQVTBOSCUMTN-UMGGQSCQSA-N 410.493 2.644 0 50 HFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 703932 YQLSIQJUIGXXSD-UHFFFAOYSA-N 415.515 2.560 0 50 HFAA COc1ccc(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC 1117975 QUVFSWABJJYXIN-UHFFFAOYSA-N 401.488 2.985 0 50 HFAA COc1ccc(Cl)cc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 2982391 SJQZAQXXXQWCAV-UHFFFAOYSA-N 408.907 2.700 0 50 HFAA O=C(NCc1cccc(F)c1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 4745276 JWWJDVHFJUNUBE-UHFFFAOYSA-N 409.826 2.766 0 50 HFAA CCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 6355373 MCSLWWZDFNAFGT-LDADJPATSA-N 409.467 2.782 0 50 HFAA CCc1nc2cc(C(=O)N3CCOCC3)cc(NC(=O)c3ccccc3OC)c2n1C 11963618 XXQGDISSRRMJNN-UHFFFAOYSA-N 422.485 2.869 0 50 HFAA O=C(NC[C@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1cccnc1 11973396 KEQQRGXBKAIQOD-LJQANCHMSA-N 409.486 2.754 0 50 HFAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCN(C4CCCC4)C(=O)C3)no2)cc1 12455060 WZSWVUQTBNSMAK-UHFFFAOYSA-N 411.458 2.683 0 50 HFAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCCN(Cc2cccnc2)CC1 12460189 GLHGRQMCOARYHH-UHFFFAOYSA-N 404.518 2.654 0 50 HFAA Cc1nonc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14541341 QPQNQTOGTPTDFM-IBGZPJMESA-N 412.490 2.581 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)N(C)CCc3cnn(C)c3)nc(C)c2c1 14886934 RLFHJZOTBUHKOX-NRFANRHFSA-N 422.533 2.740 0 50 HFAA Cc1ccc(CNc2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)o1 14984018 KPJORFSXKYXLFO-UHFFFAOYSA-N 415.519 2.575 0 50 HFAA COC(=O)c1cc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 19851209 YOCDALHJYLXODI-UHFFFAOYSA-N 400.273 2.688 0 50 HFAA in-vitro CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2cc(F)cc(F)c2)CC3=O)CC1 20102035 UHZHPXSPTROSQH-AWEZNQCLSA-N 416.428 2.946 0 50 HFAA CCOc1ccccc1-c1noc(CN[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)n1 170598088 LBHJDXRCGCWEHL-LJQANCHMSA-N 413.430 2.853 0 50 HFAA CC(C)[C@]1(C)CC(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 170629660 CIINENDZTAGVLS-DMPWYTOCSA-N 401.507 2.660 0 50 HFAA C[C@@H]1CN(C(=O)OC(C)(C)C)CC=C1c1ccc2c(c1)N1C(=NNC(=O)[C@H]1C)CO2 217710538 NNRDVHOTMRLMGA-ZIAGYGMSSA-N 412.490 2.987 0 50 HFAA Cc1ccc(SCCN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1C 242273559 YDVDTSWGXDPQDC-OAQYLSRUSA-N 422.514 2.838 0 50 HFAA O=C1CC[C@@H](CCNCc2ccccc2)N1C[C@@H](c1cccnc1)N1CCOCC1 299762157 LMLPKRRJXXQXRS-GOTSBHOMSA-N 408.546 2.626 0 50 HFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 302946840 BHOVTOIFBLYMAN-QFIPXVFZSA-N 421.541 2.968 0 50 HFAA COc1cccc(C(=O)N2CCC[C@@H](c3nc(CC(C)C)nn3CCO)CC2)c1 1772805143 IFBAJSNIUNBKLL-QGZVFWFLSA-N 400.523 2.887 0 50 HFAA COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(C(=O)OC)c1 1049087 XEASTXKSNHUJEH-INIZCTEOSA-N 410.426 2.560 0 50 HFAA Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)s2)n1 1661692 QXDPAJWDAGFBQJ-UHFFFAOYSA-N 415.500 2.886 0 50 HFAA COCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCOC)cc2)cc1 4775540 WEAFYNQCDYREGE-UHFFFAOYSA-N 400.479 2.813 0 50 HFAA C/C=C(\C)CN1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 12024256 MFXMSMAHIGEVND-STAZEXNJSA-N 412.534 2.686 0 50 HFAA COc1cc(C(=O)N(CCO)Cc2cccs2)ccc1OC1CCN(C)CC1 12058146 FFQGXENFJIFXSY-UHFFFAOYSA-N 404.532 2.864 0 50 HFAA CN(Cc1cccc2ncccc12)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 13596204 MMEQGNABYRGQGF-QFIPXVFZSA-N 420.488 2.723 0 50 HFAA O=C(NCC1(N2CCOCC2)CCCC1)c1coc(COc2cccc(F)c2)n1 20294401 OUEGHOKQNLGANY-UHFFFAOYSA-N 403.454 2.768 0 50 HFAA CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3c(C)noc3C)ccc21 33270259 URVJLISISYLBOQ-QGZVFWFLSA-N 405.476 2.563 0 50 HFAA O=C1C[C@@H](C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CN1 67817010 LTCYJRDCANQNRO-CYBMUJFWSA-N 409.467 2.526 0 50 HFAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc[nH]n1)C2)c1ccccc1 77460001 QKQCDMAJUKPGCJ-OAHLLOKOSA-N 410.499 2.648 0 50 HFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4)ccn3n2)c1 169777086 PQQIAEQSIZQRJI-UHFFFAOYSA-N 406.417 2.741 0 50 HFAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 247728951 FJDWRSHQUHWZIW-GGPKGHCWSA-N 420.513 2.600 0 50 HFAA O=C(CCCc1cnn[nH]1)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952895270 YUOWKHHPSVQLFY-GOSISDBHSA-N 420.395 2.910 0 50 HFAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCC(N2CCc3ccccc3C2)CC1 1506416774 FJOYYKSGEKOSDY-DEOSSOPVSA-N 420.557 2.504 0 50 HFAA Cn1cc(C(=O)N2CC[C@@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)nc1O 1775960571 SSRAUNAYZKJCNG-QGZVFWFLSA-N 407.352 2.522 0 50 HFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cncc(Cl)c2)cn1 1857721946 NTGAPCJNZZHBJU-OALUTQOASA-N 403.914 2.537 0 50 HFAA CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3COc4ccc5ccccc5c4C3)ccc21 1875319993 BSFQFDHADIDRHE-MRXNPFEDSA-N 408.479 2.641 0 50 HFAA CN1CCN(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 4272345 YNEKVCRYENENNC-UHFFFAOYSA-N 421.950 2.694 0 50 HFAA COc1ccc(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1 5029028 JWEBEFQJHGKRSF-IBGZPJMESA-N 406.442 2.625 0 50 HFAA CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 6742022 QYPOMAQEIRGJFI-GJZGRUSLSA-N 406.504 2.697 0 50 HFAA CCCN(Cc1cc(OC)ccc1OC[C@@H](O)CN1CCC(O)CC1)CC1CC1 11842102 ZLJVLUGZSLBOQG-NRFANRHFSA-N 406.567 2.514 0 50 HFAA CC[C@H](C)[C@H](NC(=O)CC[C@]1(Cc2ccc(OC)cc2F)CCC(=O)N1)C(=O)OC 12039125 ALOBEHQVRDUZEP-PRPYNDMISA-N 422.497 2.510 0 50 HFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cccnc2)CC1)c1ccc2c(c1)OCO2 12570854 WIJLNSDHJVLKGI-UHFFFAOYSA-N 419.441 2.736 0 50 HFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 14981803 DIBSCCSNFSMGDH-MRXNPFEDSA-N 411.506 2.582 0 50 HFAA CCn1nc(C)c(CN2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C 19774088 MZNRUCSXQZIBTL-IBGZPJMESA-N 404.530 2.736 0 50 HFAA CCNc1cc(N2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)nc(C)n1 65364151 SASZUENPVYPEJB-UHFFFAOYSA-N 400.483 2.588 0 50 HFAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@@H]4C2=O)cc1 77503453 HHKLBZYFSANODB-VAWZGJIGSA-N 407.470 2.743 0 50 HFAA CCOC(=O)c1c(O)c2c(=O)n(C)nc(-c3ccccc3)c2n(-c2ccccc2)c1=O 109214391 YBYHMYPIJZYICS-UHFFFAOYSA-N 417.421 2.634 0 50 HFAA O=C(NCCCc1nc2ccccc2[nH]1)Nc1cccc(Cn2cccnc2=O)c1 145985859 GBHYNQPHSLWZLK-UHFFFAOYSA-N 402.458 2.922 0 50 HFAA COc1cc2nc(C)c(NC[C@H](O)CN3CCc4ccccc4C3)nc2cc1OC 170601985 PYJADNQYVNGFSC-SFHVURJKSA-N 408.502 2.787 0 50 HFAA COc1cccc(S(C)(=O)=O)c1NC(=O)NCc1nc(C(F)(F)F)cs1 170616911 MLQSEEPYEPFACA-UHFFFAOYSA-N 409.411 2.896 0 50 HFAA C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCO[C@]12COCO2 252693628 FHTMINSWFXHFIA-NGDPCPQLSA-N 404.459 2.683 0 50 HFAA biogenic O=C(NCCN1CCCC[C@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 670439907 RTGJEPZUNMKERY-DEOSSOPVSA-N 407.558 2.822 0 50 HFAA Cc1c(C(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)nnn1-c1cccc2cnccc12 1262819099 JSQWTNMFDWQSJZ-LJQANCHMSA-N 420.860 2.734 0 50 HFAA O=C(N[C@H]1CCCc2c1cnn2CCO)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 1466632772 PLXSLDCWCKTZAE-YJBOKZPZSA-N 407.392 2.776 0 50 HFAA Cn1cnc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)c1 1857703468 QYPKEWBWXOACFQ-IBGZPJMESA-N 410.518 2.659 0 50 HFAA O=C(c1cccc(N2CCNC2=O)c1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857708554 ZYDRAKOWNHMASR-UHFFFAOYSA-N 401.470 2.847 0 50 HFAA O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CCC[C@@H]1Cn1cncn1 1875332050 AUKGGSXWXFODNM-CYBMUJFWSA-N 406.368 2.872 0 50 HFAA Cc1ccc(OCc2nnc(NC(=O)CCn3c(C)cc(C)nc3=O)s2)c(C)c1 2100537750 TYKUDKPCKUNWNR-UHFFFAOYSA-N 413.503 2.936 0 50 HFAA COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC(=O)O 2971234 SPGDIBWASWMNCP-YHYXMXQVSA-N 402.222 2.587 0 50 HFAA Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1ccccn1 6714930 XNYZBZZKMMUTJP-UHFFFAOYSA-N 405.281 2.765 0 50 HFAA O=C(NCCCN1CCCC[C@@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 11668042 PUPQCGIIOQSRRZ-GOSISDBHSA-N 424.501 2.769 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C 11697572 AFPBVYPFXSSGNE-UHFFFAOYSA-N 424.530 2.743 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccccc1F 11754005 UAEWIGGBVTWJTK-QFIPXVFZSA-N 405.473 2.986 0 50 HFAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)s1 12029542 HPLRPHLWSUYHRZ-IBGZPJMESA-N 419.591 2.668 0 50 HFAA O=C1CCCCN1CC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12593347 BLBIULQJCUUGNO-QFIPXVFZSA-N 405.489 2.792 0 50 HFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1ccc2c(c1)OCCO2 12713168 ANGIFAHOYUQBOM-UHFFFAOYSA-N 401.551 2.726 0 50 HFAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)c3snnc3C)C1)CC2 14956763 BVPGXDULROOSME-MRXNPFEDSA-N 402.520 2.527 0 50 HFAA CCOc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 14968307 BWNIKQJXUXFEPP-UHFFFAOYSA-N 423.517 2.875 0 50 HFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2CCCC2=O)C1 14978958 WUKRPXOFJADLPK-OAQYLSRUSA-N 406.910 2.677 0 50 HFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)Cc2cnc3ncnn3c2)C1 19608764 FALHUJOCZXGGSD-SFHVURJKSA-N 419.464 2.822 0 50 HFAA COCCn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(c2ccccc2)CC1)C3 20999842 IILPYTFGXOFJHV-GOSISDBHSA-N 424.570 2.784 0 50 HFAA CN(Cc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 67338796 PHKXZADYQSCEAA-UHFFFAOYSA-N 408.907 2.633 0 50 HFAA Cc1cccc2[nH]c(CNC(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)nc12 95368362 XISDIWYFZMZANV-UHFFFAOYSA-N 404.474 2.525 0 50 HFAA CN(CC(=O)Nc1ccn(C)n1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 95529363 KEXFEVSWSKORJN-SFHVURJKSA-N 403.958 2.899 0 50 HFAA CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2nc(C(C)(C)C)no2)CC1 225670500 CLSDMSCYZNHORI-INIZCTEOSA-N 408.543 2.912 0 50 HFAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 299779617 AGGABRFKXDYUKJ-IRLDBZIGSA-N 416.525 2.864 0 50 HFAA CC1(C)C=C(CN2CCN(C(=O)c3ccco3)CC2)c2cc(F)cc3c2N1C(=O)C3=O 334161139 UWVMSMOYGUUFPI-UHFFFAOYSA-N 423.444 2.582 0 50 HFAA CCCCOCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 426563501 XVCZKVZHEHEPDV-JOCHJYFZSA-N 406.498 2.992 0 50 HFAA CSCC[C@H](C(=O)NCc1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 888090398 WQLPPTQYLORQRT-QGZVFWFLSA-N 423.498 2.589 0 50 HFAA COC[C@@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952892093 DWJINXMGUWVALB-OXQOHEQNSA-N 403.498 2.875 0 50 HFAA COC[C@@H]1CCCN(S(=O)(=O)NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C1 1506416566 WVRBKSVVWSNRPD-LWQSWIMYSA-N 414.612 2.945 0 50 HFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(OC)cccc2OC)cc1OC 1529161191 BMNISAHRJCHYRT-FGZHOGPDSA-N 403.475 2.655 0 50 HFAA CCc1cc(CN2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(CCc3ccccc3)C2)on1 1772813678 NYOJCTJCQRIJQT-SIKLNZKXSA-N 417.575 2.953 0 50 HFAA COc1ncccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857670584 WFXGQFIJYXSKBG-QHCPKHFHSA-N 417.469 2.768 0 50 HFAA CSc1ccc2c(C)cc(-n3nc(C)nc3[C@H]3CCCN(CC(N)=O)C3)nc2c1 1940197578 AFYQBAPZARTKQV-HNNXBMFYSA-N 410.547 2.819 0 50 HFAA Cc1ccc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(C)c1 2082945788 XKYYKOAUEIWSIN-INIZCTEOSA-N 410.495 2.608 0 50 HFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4ccc5[nH]ccc5c4)ccc3C2=O)C(=O)N1 2325901772 XHURUQWOQVPRNI-GOSISDBHSA-N 417.425 2.573 0 50 HFAA Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(=O)n(-c2ccccc2)n1C 869837 IBBQOCSPBYPISL-UHFFFAOYSA-N 419.407 2.827 0 50 HFAA CC(C)CNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)n2C)n1C 1108640 RUOYDZLJKOGLLU-UHFFFAOYSA-N 410.305 2.857 0 50 HFAA biogenic O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1 1147755 KXNITTSIGHPKCQ-UHFFFAOYSA-N 402.447 2.926 0 50 HFAA CCNc1nc(NC(C)C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1 2291176 SGZMWBRIMJOTJL-UHFFFAOYSA-N 422.917 2.660 0 50 HFAA O=C(c1ccccc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 4748805 DPWQAIBGAKFQLD-UHFFFAOYSA-N 409.305 2.596 0 50 HFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4760589 WXGXGPOWUHQDBK-VDGAXYAQSA-N 411.502 2.540 0 50 HFAA COc1ccccc1C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)no2)CC1 11783403 CSQKTFDXVUHKLF-UHFFFAOYSA-N 405.454 2.872 0 50 HFAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cccc(F)c1F)C3 11841084 SSHUXQHTSMTFRA-AWEZNQCLSA-N 418.513 2.945 0 50 HFAA O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCN(c2nc3ccccc3s2)CC1 11844063 LBXBNSWOCPVMFU-QGZVFWFLSA-N 406.511 2.998 0 50 HFAA CN(C(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCN(CCc2ccccc2)C1 12053410 CYEQUSAJYINJTH-NRFANRHFSA-N 418.541 2.952 0 50 HFAA O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)CC1 12320198 YGYXRYDLRHGKKW-HXUWFJFHSA-N 405.498 2.942 0 50 HFAA Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1nc3ccccc3s1)C2 14536309 PLNGDDQRIBXNFX-UHFFFAOYSA-N 418.526 2.913 0 50 HFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2ccn[nH]2)C[C@@H](C)O1 20861352 YLUZCGIKOTXKNC-OKILXGFUSA-N 416.913 2.592 0 50 HFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(OC)c1OC)C2 20992284 FRQMHSYYKKNMOI-INIZCTEOSA-N 400.523 2.659 0 50 HFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 22919541 MFGHAQDLWNTXHX-MRXNPFEDSA-N 411.930 2.793 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 225409021 AYBBIUXAAWOESG-ZWKOTPCHSA-N 407.555 2.588 0 50 HFAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccn(CC(F)(F)F)n1 225524580 FVMMINMOUJMXMZ-KGLIPLIRSA-N 405.465 2.923 0 50 HFAA CCOC(=O)[C@@H](OC(=O)c1cnn2cc(Br)cnc12)c1ncccc1C 225526429 KXTDUPYWKJNKNG-AWEZNQCLSA-N 419.235 2.656 0 50 HFAA O=C(NCc1ccccc1)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCC2 225772166 ODXAJUVPHCHZLB-RGCFKVTRSA-N 422.506 2.834 0 50 HFAA COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)Cn2ccnc2)C[C@H]2CCCC[C@H]21 248014257 SHTLINSDPSNVNV-LFGUQSLTSA-N 410.518 2.870 0 50 HFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 470405586 SZESIRPOTOQCMG-SKDZVZGDSA-N 420.435 2.729 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1 670445008 ORCBCVCOHYFHNF-INIZCTEOSA-N 408.495 2.786 0 50 HFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 827733251 UUNJHKWOCMECPK-LJQANCHMSA-N 411.502 2.565 0 50 HFAA C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1[C@H](O)c1ccccn1 1297426240 ISAUAARTUDMZJB-SZNDQCEHSA-N 415.453 2.797 0 50 HFAA c1ccc(CN2CCCO[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 1506419259 YENLRWUODQEUNN-HSZRJFAPSA-N 423.557 2.824 0 50 HFAA Cc1nc(CN2CC3(CCN(c4ccnc5ccccc45)CC3)OCCC2=O)no1 1704331093 KNQHHSFYSIZFMI-UHFFFAOYSA-N 407.474 2.714 0 50 HFAA COc1ccc(-c2ccc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)c(O)n2)cc1 1704338755 YVTFJSZCWSXUII-UTKZUKDTSA-N 405.454 2.533 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 1857693231 NRCJOBFQDZLZDP-OAHLLOKOSA-N 416.503 2.729 0 50 HFAA CCOC(=O)NC(=S)Nc1cc2nc(C)[nH]c2cc1NC(=S)NC(=O)OCC 1888957 QHROVMKTTDYZJK-UHFFFAOYSA-N 424.508 2.757 0 50 HFAA COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 2883024 MFGPLWHBTUPDLR-HNNXBMFYSA-N 404.488 2.883 0 50 HFAA CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1N 2885059 SPXLPVHSOIPCCF-UHFFFAOYSA-N 416.381 2.865 0 50 HFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(C)cc1 6489538 OPHOEGXFDSYCQF-WPNIOXTASA-N 408.479 2.700 0 50 HFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2csc(C)n2)n1C[C@H]1CCCO1 11935707 PJEYAIWTOFSRRN-QGZVFWFLSA-N 412.581 2.643 0 50 HFAA CC[C@@H]1CN(CCNC(=O)c2cccc(C(=O)OC)c2)Cc2cc(OC)ccc2O1 12048511 ALERHYKVKJVCRX-LJQANCHMSA-N 412.486 2.885 0 50 HFAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CC=C(c2ccccc2)CC1 13636606 ASIRNCVJPLBASQ-QFIPXVFZSA-N 407.489 2.832 0 50 HFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCC1(O)CCCCC1)CC2 14541815 DGCDVHSMLVXWPJ-IBGZPJMESA-N 410.562 2.775 0 50 HFAA Cc1cc(CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NCC(C)C)c2=O)on1 14986549 XXKBOIYRCIGXGQ-UHFFFAOYSA-N 414.506 2.966 0 50 HFAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)C2CCCC2)CCO3)CC1 14997640 JVDLCRROIWTCIQ-UHFFFAOYSA-N 400.519 2.983 0 50 HFAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 15065930 JLRWEZLUFZEZRD-INIZCTEOSA-N 408.424 2.836 0 50 HFAA O=C([C@H]1CC12CCN([C@H]1CCSC1)CC2)N1CCN(Cc2cccs2)CC1 15071958 KVTXLFBANVASSE-PKOBYXMFSA-N 405.633 3.000 0 50 HFAA O=C1C(=O)N(CN2CCN(Cc3ccccc3)CC2)c2ccc(Br)cc21 19848283 QUPZCMVSGPNWCY-UHFFFAOYSA-N 414.303 2.754 0 50 HFAA COc1cc(CN2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)cc(OC)c1 39541275 NWJKEFRNNQJQBY-JOCHJYFZSA-N 412.530 2.975 0 50 HFAA FC(F)(F)c1cccc(Cc2noc(CN3CCN(c4cnccn4)CC3)n2)c1 55109135 POINWPQSRPDWBA-UHFFFAOYSA-N 404.396 2.791 0 50 HFAA COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 67602130 MQCVZRKGUIBVCR-UHFFFAOYSA-N 421.505 2.950 0 50 HFAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)/C=C/c4ccco4)ccn3n2)cc1 169776320 BMJYKLSQVHYCPW-MDZDMXLPSA-N 418.453 2.984 0 50 HFAA CCc1cnc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)o1 170598395 VIFVYEGDSGCGNV-HNNXBMFYSA-N 406.280 2.921 0 50 HFAA CCCN1C(=O)NC(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O 206338902 SHPNPVQDSBIOQA-MBSDFSHPSA-N 406.486 2.933 0 50 HFAA CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCC(NC(N)=O)CC1 225420990 KFEUNJYRKANJSA-UHFFFAOYSA-N 421.295 2.939 0 50 HFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1Br 225676695 QAUKZHUUEBUHIB-WYUUTHIRSA-N 417.053 2.804 0 50 HFAA CCOC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@@]34C=C[C@H]2O4)c1 252430691 FMOSKVRWQNXMOL-FIXDAVPBSA-N 418.449 2.788 0 50 HFAA CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 759472100 IPTUZYAMJOTUDH-AWEZNQCLSA-N 408.520 2.992 0 50 HFAA CCn1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c(=O)c2ccc(C)nc21 952980829 MITAMZNPBMLSHL-SFHVURJKSA-N 406.486 2.941 0 50 HFAA CCc1cc(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)CC2)ncn1 952992295 ZEFLAUNJKJCUEY-UHFFFAOYSA-N 404.518 2.863 0 50 HFAA CCCCc1ncc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C[C@@H]3CCOC3)CCO2)[nH]1 1857671494 UAGAMYDGEBWLEM-VXPBHUBDSA-N 402.583 2.987 0 50 HFAA COC(=O)[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)n2CC(C)C)CCO1 1875253023 LXFFXXYDBHQWOA-OAHLLOKOSA-N 412.412 2.998 0 50 HFAA O=C(O)CCc1cn([C@H]2CC[C@H](C(=O)N3Cc4cc(F)c(F)cc4C3)CC2)nn1 1875324492 ASLSZFYSPHGLQY-YGUOUDRMSA-N 404.417 2.847 0 50 HFAA Cc1cc(Br)cn2c(CN[C@@H]3CCOC4(CC(C(=O)O)C4)C3)cnc12 2325829689 PUNPKEGPAQMMDI-HZEYSBKDSA-N 408.296 2.907 0 50 HFAA CC(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O 799665 NQPRJKUGABBPBE-HXUWFJFHSA-N 407.470 2.783 0 50 HFAA CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1116974 CFOGBIYFTXWOES-UHFFFAOYSA-N 410.879 2.776 0 50 HFAA CC(C)c1cc(C(N)=O)c(NC(=O)c2c(I)cnn2C)s1 2735357 CQOPFWPEOQAPSO-UHFFFAOYSA-N 418.260 2.561 0 50 HFAA NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 4737137 WJQMDYUQHGSZNX-GOSISDBHSA-N 409.511 2.667 0 50 HFAA CC(=O)c1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 4828943 QHCRXRUJLKUQSH-UHFFFAOYSA-N 420.556 2.872 0 50 HFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H]2CCOC(C)(C)C2)c1 11874036 YZPWABDYZMLCBG-MRXNPFEDSA-N 404.507 2.772 0 50 HFAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1cccnc1 11973383 KEQQRGXBKAIQOD-IBGZPJMESA-N 409.486 2.754 0 50 HFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CN1CCCCC1 12386740 AJIBQIYOOKIURO-UHFFFAOYSA-N 417.594 2.868 0 50 HFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CN2CCCCC2=O)C1 12702414 IBGUIAVHYYANHW-JOCHJYFZSA-N 404.482 2.553 0 50 HFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)CCN2C1=O 14536212 WAENFCLYJNGKKI-IRWQIABSSA-N 416.522 2.507 0 50 HFAA O=C(NC[C@H](c1ccco1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20718511 LZTJGHOXOQWCGA-QGZVFWFLSA-N 400.500 2.901 0 50 HFAA CCn1nc(C)c(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C 39467478 MZNRUCSXQZIBTL-LJQANCHMSA-N 404.530 2.736 0 50 HFAA COc1ccccc1C(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 72434150 LWCKESPWDXJMCJ-UHFFFAOYSA-N 404.474 2.895 0 50 HFAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C 77522691 OGQOMYVOJQWGSX-UEOMBKFZSA-N 417.509 2.639 0 50 HFAA Cn1cnc(S(=O)(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 91896135 BUXXUZLMNAUTJX-INIZCTEOSA-N 403.483 2.737 0 50 HFAA CON(C)C(=O)CCSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 225794597 YYNGLWDMKPDVMN-GJZGRUSLSA-N 407.540 2.904 0 50 HFAA COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCC(=O)N4C)cccc21 263587503 HOMYMIJIENYLPS-UHFFFAOYSA-N 409.442 2.660 0 50 HFAA COCC[C@H]1COCCN1C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 328594222 ZQCJBHZTQABWSU-CABCVRRESA-N 401.429 2.581 0 50 HFAA CCOC(=O)C1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cc(F)cc2c43)CC1 334160839 NJQGPZRPBKDOTG-UHFFFAOYSA-N 400.450 2.806 0 50 HFAA O=C(N[C@H]1CCn2ccnc2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 428340599 JYKZHWZPRFAZBS-HNNXBMFYSA-N 407.923 2.754 0 50 HFAA COc1ccccc1[C@H](NC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)c1nccn1C 888093291 OSLHJDIKNOTRMT-XPYUAMARSA-N 412.490 2.945 0 50 HFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCCc1nc(-c2ccccc2Cl)no1 1772710898 UGTITRKOCVGJAL-KGLIPLIRSA-N 402.882 2.934 0 50 HFAA Cn1nnc2c(-n3ccnc3-c3ccc(OCCN4CCOCC4)cc3)cccc21 1775978283 QRABVLSYBTXOOR-UHFFFAOYSA-N 404.474 2.532 0 50 HFAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CC(=O)N(c3nnc(Cc4ccccc4)s3)C1)C2 1857719488 MZVCHZVVNGSGRD-KRWDZBQOSA-N 419.510 2.728 0 50 HFAA C[C@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3cc([C@@H]4CCNC4)[nH]n3)ccc21 2325860962 AGDFHDYTPPNSTE-GHMZBOCLSA-N 422.411 2.661 0 50 HFAA CN1C(=O)COc2ccc(C(=O)N3C[C@@H]4[C@@H](CCC[C@@]4(O)c4ccccc4)C3)cc21 2356151297 BUNGIIYHUGAEFM-RGZWJVDOSA-N 406.482 2.802 0 50 HFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)c1 687849 UYZYBKGEDXTSGG-UHFFFAOYSA-N 410.517 2.685 0 50 HFAA COc1ccc(CCN2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)cc1OC 799945 OZZAPKBGNBWNSO-SFHVURJKSA-N 415.467 2.864 0 50 HFAA COCCN1C=C(C(=O)OC)C(c2ccccc2Br)C(C(=O)OC)=C1 2805642 NNEGOIRAMMNTCL-UHFFFAOYSA-N 410.264 2.609 0 50 HFAA COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@H]1CC[C@@]3(CCC(=O)O3)[C@]1(C)C[C@H]2O 4010517 ZYDNRZOTRVTMRC-GQTGEKEUSA-N 416.514 2.964 0 50 HFAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)c2ccccc2)(c2ccccc2)C1=O 12451850 MBNJNYHSVRDZNB-MHECFPHRSA-N 408.498 2.987 0 50 HFAA Cc1nn([C@H](C)C(=O)Nc2cnn(C)c2C(=O)N2CCCCC2)cc1Br 13960155 JAUJOLDYTAWZGG-GFCCVEGCSA-N 423.315 2.513 0 50 HFAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cncs1)CC2 14538030 NTQYOGLDBNVNFT-UHFFFAOYSA-N 402.398 2.667 0 50 HFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nccs3)cc2)CC1 15074043 MFDYCJVXCCYLSV-AWEZNQCLSA-N 403.504 2.650 0 50 HFAA CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCOCC1 16649317 RFAGFRKTKPZYGK-UHFFFAOYSA-N 420.556 2.702 0 50 HFAA COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 20206755 AWWMBERWQGYYEU-UHFFFAOYSA-N 419.529 2.892 0 50 HFAA CCN(CC)C[C@H](O)COc1ccc(CNCCc2ncccc2C)cc1OC 23338938 LPTLYLBXDBKETB-FQEVSTJZSA-N 401.551 2.812 0 50 HFAA COc1ccccc1N1CCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)[C@H](C)C1 39429946 NBNYRJYDXPCPJY-QGZVFWFLSA-N 420.579 2.662 0 50 HFAA Cc1cccc2nc(C3CCN(C(=O)Cn4nnc5ccccc5c4=O)CC3)oc12 170602645 KVFMETRTIZHZJC-UHFFFAOYSA-N 403.442 2.647 0 50 HFAA O=c1nc2n(nc1-c1ccccc1)[C@]1(CCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 170620169 SPIGRQDEPKQJEE-IBGZPJMESA-N 414.874 2.523 0 50 HFAA COC(=O)C[C@@H](c1c(O)n2cc(Cl)ccc2nc1=O)c1cccc2nccnc12 206253754 OMESGOKRSSLJEP-CYBMUJFWSA-N 410.817 2.692 0 50 HFAA C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)C[C@@H](C)O1 229704657 NGBXHMFHNRAGED-PJIJBLCYSA-N 401.894 2.969 0 50 HFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 253410922 NYCIXQRVEYXLSB-WCAVRKLYSA-N 413.518 2.779 0 50 HFAA biogenic Cc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccco4)CC1)=CC(C)(C)N3C(=O)C2=O 253495692 NTXOELBNMFFUQM-UHFFFAOYSA-N 419.481 2.751 0 50 HFAA NC(=O)c1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 328606283 QYIWPNSDSYXZMF-VUHGIWPJSA-N 406.486 2.715 0 50 HFAA COc1ccc([C@@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC 1506395175 DAZLKGKYDWXLCA-FQEVSTJZSA-N 406.429 2.926 0 50 HFAA O=C(NC[C@H]1CCC2(CCN(Cc3nnc(-c4cccnc4)o3)CC2)O1)c1ccco1 1506403336 XWDAPYOFBDBETJ-QGZVFWFLSA-N 423.473 2.668 0 50 HFAA Cc1ccc(Cn2cc(CC3(C(=O)O)CCN(C(=O)[C@@H](C)C(C)C)CC3)nn2)o1 1875356355 UQASSNAWKVOPSI-INIZCTEOSA-N 402.495 2.756 0 50 HFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@]2(CCc3c[nH]c(=N)nc32)C1 2356137111 FWKYOQFATORMTF-QHCPKHFHSA-N 403.486 2.902 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 1060781 YWHFPWLSZMEXFA-UHFFFAOYSA-N 416.377 2.839 0 50 HFAA CCNC(=O)C[C@H]1C(=O)N(Cc2cccs2)C(=S)N1Cc1ccc(OC)cc1 1068661 PBBSDTTXZIMAQZ-KRWDZBQOSA-N 417.556 2.781 0 50 HFAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Br)cc1 2961230 ZAUQXUZDZAZTQL-UHFFFAOYSA-N 411.321 2.574 0 50 HFAA Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 5274333 PUXLBDJEKFGDNT-OAHLLOKOSA-N 406.442 2.846 0 50 HFAA CN(Cc1ccnc2ccccc12)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 11817095 KTTNFMQEOUXHLN-QFIPXVFZSA-N 402.498 2.584 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3cccnc3)CC2)CC1 11844014 KTGNLNXTLSOCMR-UHFFFAOYSA-N 407.562 2.827 0 50 HFAA O=C(NCCc1cnccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12308043 QNKXXZUQOWQDLD-UHFFFAOYSA-N 417.513 2.888 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(Cl)c1C 13941835 UJVOYGNRNSGYEE-UHFFFAOYSA-N 409.943 2.823 0 50 HFAA Cc1cccc(CN2CCN(C(=O)[C@H]3CCCN(c4ccccn4)C3)CCC2=O)c1 15071250 DZRPUYWGCGJFNO-NRFANRHFSA-N 406.530 2.868 0 50 HFAA Cc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 20481631 LXGBTOHOVDRCBZ-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCN(Cc2ccncc2)CC1 33915559 ZYZMTMZTOOMOHJ-UHFFFAOYSA-N 415.437 2.877 0 50 HFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc3nonc13)C2 95354193 IRMKBPBRSNBVBM-KNKQGSTJSA-N 400.523 2.562 0 50 HFAA O=S(=O)(CCCc1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 225684764 PLDYNCPRPPVSEF-UHFFFAOYSA-N 412.515 2.510 0 50 HFAA Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN21 248337483 QAJZBSFVLUGAKL-YDSTWLSQSA-N 405.429 2.565 0 50 HFAA COc1ccc(CCN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1OC 263618084 RDXNXUQTNVMCCC-OAQYLSRUSA-N 410.449 2.781 0 50 HFAA O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 670441976 VVYBBSXAHQREFI-LJQANCHMSA-N 401.463 2.777 0 50 HFAA CN1CCC(Oc2ccc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)cc2)CC1 952869740 NWHKXADCYPVZDQ-UHFFFAOYSA-N 402.516 2.744 0 50 HFAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 1506405948 OZLPBHBTHMIHOY-SFHVURJKSA-N 401.430 2.749 0 50 HFAA CC(C)=CC[C@]1(C(=O)NCc2cnn(C)c2)C[C@H]2CC[C@@H]1N2C(=O)C1CCOCC1 1704326421 WPGKDLCTSXXCRL-QTEQDKRBSA-N 414.550 2.569 0 50 HFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCN(C(=O)C2CCC2)CC1 1704348037 AQHLNQOQNXATKW-NFBKMPQASA-N 421.541 2.947 0 50 HFAA O=C(NCC1CCOCC1)[C@]12CCCCN1C[C@@H](Nc1cnc3ccccc3n1)C2 1857699079 HBGMFPKHABQLEL-FDDCHVKYSA-N 409.534 2.582 0 50 HFAA O=C(Cc1cccnc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857710543 CJMMQAZLHKHTLN-HSZRJFAPSA-N 401.470 2.688 0 50 HFAA Cc1ccc(-c2nnc(CN3C[C@@H](O)[C@H](Cc4ccnc5ccccc45)C3)o2)n1C 1857736641 UTJUUAJYUHWEMP-DYESRHJHSA-N 403.486 2.967 0 50 HFAA C[C@@H]1CN(C(=O)Nc2cccc3c2CN(C)C3=O)CCN1C[C@H](O)c1ccccc1 1875309149 UMSLDJYRZZQPGI-IERDGZPVSA-N 408.502 2.544 0 50 HFAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)cc2)cc1 970354 TWJUKWHLZNUSNY-UHFFFAOYSA-N 415.453 2.660 0 50 HFAA biogenic Cn1nc(-c2ccc(N3CCCCC3)c(NS(C)(=O)=O)c2)c2ccccc2c1=O 2233404 UWYPDCABGZYQNW-UHFFFAOYSA-N 412.515 2.962 0 50 HFAA Cc1cccn2c(CN3CCC[C@H]3CO)c(C(=O)N(C)CCc3ccccc3)nc12 11820125 SRLNMKQTJNVZRB-FQEVSTJZSA-N 406.530 2.914 0 50 HFAA O=C(NC[C@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2ccccc2)cc1 12385962 UGXLCMMEZIXWDF-GOSISDBHSA-N 403.486 2.614 0 50 HFAA COC[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)C1 12433841 BCMOXQNZZLTJAN-IBGZPJMESA-N 405.564 2.778 0 50 HFAA O=C(NCc1cccc(N2CCCC2)c1)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12439050 HFAZSUVAHLETHM-FQEVSTJZSA-N 406.530 2.779 0 50 HFAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCOCC3)cnc2n1C[C@@H]1CCCO1 14538402 QVKGJCJMURUQCD-INIZCTEOSA-N 416.478 2.551 0 50 HFAA CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCC(C)CC1 16625467 YBABMCUFSJLWJS-OAHLLOKOSA-N 412.577 2.738 0 50 HFAA O=C(NCCc1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2)C1CCCCC1 20906593 VDJXFZYLJHGVPB-UHFFFAOYSA-N 417.504 2.854 0 50 HFAA OCC[C@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1Cc1ccccc1F 77397514 UGSQTLAHKRLBSK-NRFANRHFSA-N 401.526 2.952 0 50 HFAA CCC(C)(C)C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82120366 HWSHOINYJHRGEQ-IBGZPJMESA-N 400.567 2.837 0 50 HFAA CSCc1noc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 92045672 ZQBKWPDACWCTQC-UHFFFAOYSA-N 401.536 2.732 0 50 HFAA CCc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1 169752463 NJGRERKUWGZKNN-UHFFFAOYSA-N 420.444 2.996 0 50 HFAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 253487848 RVKGMCXDGHVMIK-FIKMYACPSA-N 409.486 2.599 0 50 HFAA O=C(Cc1ccc(F)cc1Cl)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827848473 NODIXIBRLWJFCK-UHFFFAOYSA-N 406.841 2.898 0 50 HFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc2sc3c(c2c1)CCNC3=O 828248285 WKFZBQJMVMIYLG-ZDUSSCGKSA-N 411.527 2.708 0 50 HFAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2cc3ccccc3s2)N1 952873042 TZXJMKLKWAVRBJ-INIZCTEOSA-N 401.513 2.766 0 50 HFAA Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)CC1 1506400258 BGVNWFQZJZORGT-UHFFFAOYSA-N 402.476 2.766 0 50 HFAA Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CO)C1 1772808679 YDHDFMBRWWKVGT-KSFYIVLOSA-N 413.905 2.991 0 50 HFAA Cc1ccc(NC(=O)N2CCCN(C(=O)CCCn3cncn3)CC2)cc1Cl 1775979624 KKIUPRFPPFATQU-UHFFFAOYSA-N 404.902 2.787 0 50 HFAA C[C@@H](CCNC(=O)N[C@H]1CCCN(c2ccc(Br)cc2)C1=O)N(C)C 1857530968 JIKITMUSEKMSIZ-BBRMVZONSA-N 411.344 2.584 0 50 HFAA CCOc1ccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1OCC 1857729667 GPXFGGZSKNGLIJ-NBCNXNJRSA-N 402.491 2.682 0 50 HFAA OCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2ccccc2)C1 1875248269 HAUWUOHTAIJHEY-VWLOTQADSA-N 415.541 2.845 0 50 HFAA CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 715172 OPOMVEPBHIDTRY-NRFANRHFSA-N 410.470 2.817 0 50 HFAA Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)c(Br)c1 948360 OEXZGYNYMJJIQB-UHFFFAOYSA-N 418.243 2.976 0 50 HFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)NCC3CCCCC3)cc2oc1=O 1131919 VMHGRNBDNDYTOJ-UHFFFAOYSA-N 401.459 2.892 0 50 HFAA CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1ccncc1 6741724 LSIQCJFPTDBULR-UHFFFAOYSA-N 403.489 2.939 0 50 HFAA Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1-c1ccccc1S(=O)(=O)C2 6839788 NZGVPSHCUVKHOI-UHFFFAOYSA-N 401.875 2.958 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)CC2=O)cc1 7452055 CGJBTMTVSLVOGA-IBGZPJMESA-N 420.513 2.929 0 50 HFAA Cn1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(-c2cccc(Cl)c2)n1 11663143 AGXFLNUCDPKGPZ-KRWDZBQOSA-N 402.926 2.811 0 50 HFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)/C=C/c1ccco1 11816462 WPMKECIBUNBAMM-SHBDEGQCSA-N 403.567 2.964 0 50 HFAA O=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3nccs3)CC2)CC1 12302312 DNTYPBKLZOKQJI-UHFFFAOYSA-N 413.591 2.889 0 50 HFAA COc1cc(F)ccc1CN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 12386121 PVLOVPUTCSBWCR-MRXNPFEDSA-N 402.470 2.843 0 50 HFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NCC1(O)CCCCC1)CC2 14536791 OKSBNIRNYFNIEO-GOSISDBHSA-N 402.583 2.965 0 50 HFAA Cc1nn(CCCNS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1Br 17087829 CHMKDKMCHUJDIH-UHFFFAOYSA-N 408.268 2.909 0 50 HFAA CN(C)C(=O)CN1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 20600964 SUHPXNMOCAEFQM-UHFFFAOYSA-N 403.530 2.950 0 50 HFAA COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 26489484 ISCQYPPCSYRZOT-MJXNMMHHSA-N 412.394 2.559 0 50 HFAA biogenic,in-vitro Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4sc(C)nc4C)CC3)nc(C)n2)n1 67602175 LDCCMHIMQLBGLF-UHFFFAOYSA-N 411.535 2.623 0 50 HFAA C[C@@]1(c2cnccn2)NC(=O)N(Cc2ccc(Br)c3cccnc23)C1=O 225698255 MFHZKIPWTHRALG-SFHVURJKSA-N 412.247 2.755 0 50 HFAA CCn1nccc1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 227173425 JETCSFKRNKEELQ-HXUWFJFHSA-N 411.487 2.612 0 50 HFAA C[C@H]1Oc2ccccc2N(CCC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)C1=O 253417322 HNTKIUBYPKZRGG-QZWWFDLISA-N 414.502 2.912 0 50 HFAA Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)c1C 328605690 OWANKRLWFBMMQV-INIZCTEOSA-N 411.437 2.954 0 50 HFAA Cc1cc(F)c2nc(O)cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c2c1 489193070 AWUMFALZLLDATJ-OAQYLSRUSA-N 408.389 2.695 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-n4cccn4)cc3)C1)CC2 1704301387 XHCVJFQJSNQMSY-HSZRJFAPSA-N 402.502 2.849 0 50 HFAA COC(=O)[C@@H](CC(C)C)NC(=O)CC1(c2oc(C)cc(=O)c2O)CCSCC1 1776111555 FAEFTHHURGVHOG-CQSZACIVSA-N 411.520 2.513 0 50 HFAA COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1c(C)nc(N2CCCC2)nc1O 1875252711 XXSDXBZOYKNGAP-KRWDZBQOSA-N 400.454 2.585 0 50 HFAA Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)c2csc(C)c2C)C3)c2c(C)n[nH]c2n1 2325872953 STHOSNDLSRQEJE-QANKJYHBSA-N 409.515 2.896 0 50 HFAA CCn1cc(Br)c(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)n1 648016 ZFJAXQZXOUWQPC-UHFFFAOYSA-N 411.281 2.579 0 50 HFAA aggregator O=C(O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 692793 OVELIIDAMMVYET-UHFFFAOYSA-N 404.378 2.955 0 50 HFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O 812921 IBCSITVKRADQAN-IBGZPJMESA-N 412.398 2.501 0 50 HFAA CC1(C)Cc2c(sc3nc(SCC(N)=O)n(Cc4ccccc4)c(=O)c23)CO1 870369 ZNFYCXDRJPUQRE-UHFFFAOYSA-N 415.540 2.935 0 50 HFAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 912978 HRMXAWGZWPUXLM-FRQCXROJSA-N 422.359 2.828 0 50 HFAA CCn1ncc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1C 2804362 USROTIOSXKGWFD-UHFFFAOYSA-N 415.306 2.959 0 50 HFAA COCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 11769660 DXEWWICPNORZMC-HSZRJFAPSA-N 400.563 2.910 0 50 HFAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 12074927 GEHYJUYOCMWAGQ-LJQANCHMSA-N 406.958 2.814 0 50 HFAA Cc1c(C(=O)N2CCNC(=O)C2)sc2ncnc(NCCCc3ccccc3)c12 12124660 YGQTVRWLCIKYND-UHFFFAOYSA-N 409.515 2.616 0 50 HFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 12139895 QVGNNPYQHRKFLA-RKVPGOIHSA-N 408.332 2.519 0 50 HFAA COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12439182 HYYVGDZZGNLQRN-NRFANRHFSA-N 408.445 2.649 0 50 HFAA COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 13324228 LDSXBLPCEVEINJ-UHFFFAOYSA-N 400.232 2.962 0 50 HFAA CC(=O)N1CCC(N2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 14980826 ZRMOSNVXVKKFDI-UHFFFAOYSA-N 405.546 2.765 0 50 HFAA CCc1c(C(=O)NCC[C@H]2CCCN2C)c(=O)cc(C)n1Cc1ccccc1OC 15071896 ASAKIHBKHBYXPN-LJQANCHMSA-N 411.546 2.990 0 50 HFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)CC[C@@H]21 20210644 VSPGXZSWHNQHPU-INMHGKMJSA-N 414.955 2.688 0 50 HFAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)o1 55060967 WDGATSASSRKTDR-GOSISDBHSA-N 423.435 2.956 0 50 HFAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccccc1 169757999 JEDYIENZTAINNC-LJQANCHMSA-N 411.845 2.534 0 50 HFAA COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(N(C)C)cc4)n3n2)cc1 169778549 RNTQQNGHDVPOLJ-UHFFFAOYSA-N 402.458 2.796 0 50 HFAA C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 248381197 SKCGVHLGLOJEMI-RNULLNAKSA-N 408.502 2.572 0 50 HFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 263585275 GYPZCSZYZUCJAX-TUNNFDKTSA-N 413.562 2.779 0 50 HFAA biogenic O=C(c1c[nH]nc1[C@@H]1CCCN(C(=O)c2coc3ccccc23)C1)N1CCOCC1 328606353 REIOCEHIFNWHBL-OAHLLOKOSA-N 408.458 2.648 0 50 HFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 477501442 TVDINDILFFJSRI-UHFFFAOYSA-N 419.522 2.927 0 50 HFAA Cc1cc(N2CCN(C(=O)CCc3ccncc3)CC2)nc(-c2ccccc2O)n1 952984922 CRLDYBMAQAEDHW-UHFFFAOYSA-N 403.486 2.834 0 50 HFAA O=C(c1cnc2ccccc2c1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857708201 KTPLNPMQYAAZOQ-VXKWHMMOSA-N 401.466 2.877 0 50 HFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)ccc2N1 1875262157 ZDGDCELHKHJEAP-NFBKMPQASA-N 412.461 2.644 0 50 HFAA Cn1nc(C(=O)OC(C)(C)C)cc1CN1CCC(Cc2nc(C(=O)O)cs2)CC1 1875324063 FRQXCHDAPCQXQP-UHFFFAOYSA-N 420.535 2.985 0 50 HFAA Cc1nc(C)c(C(=O)NCCCCc2cn([C@@H]3CCC[C@H](C(=O)O)C3)nn2)s1 1875324549 CPSDARGIJGKJCP-GOEBONIOSA-N 405.524 2.920 0 50 HFAA Cc1nc2c(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)ccnc2n1C 2100555570 XMZUSINMNXBRSE-UZLBHIALSA-N 401.470 2.812 0 50 HFAA C[C@H](C(=O)Nc1ccccc1Br)N1CCN(c2cnccn2)[C@H](C)C1 2325824718 NTZZFBHRMNSLGY-ZIAGYGMSSA-N 404.312 2.777 0 50 HFAA CS(=O)(=O)c1ccc(CN2CC[C@](O)(c3ccccc3Br)C2)cc1 2325854191 RQZWQUYFHCTQLM-GOSISDBHSA-N 410.333 2.946 0 50 HFAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)[nH]1 2356146425 FMPJJRFXGSWKGV-MSYCTHLASA-N 415.493 2.888 0 50 HFAA COc1cccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)c1 2878172 JCOBUVZMWUMYAN-OAHLLOKOSA-N 413.904 2.855 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1OC 4320441 NHLPDMIOJLBBLK-UHFFFAOYSA-N 420.575 2.979 0 50 HFAA Cc1cc(C)n2c(SCc3nnnn3-c3ccc(Br)cc3)nnc2n1 9435724 NHGHJWCBZOYJIC-UHFFFAOYSA-N 417.296 2.772 0 50 HFAA COc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)NCc2cccc(C)n2)cc1 11881631 ITDPWDHPJCKKBX-NRFANRHFSA-N 423.513 2.723 0 50 HFAA CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)s1 16448403 ZRNRNWJJBGBSPD-UHFFFAOYSA-N 407.477 2.899 0 50 HFAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 19309287 COWDEYDTQDITNY-GOSISDBHSA-N 402.466 2.599 0 50 HFAA COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 19551603 WJNUVURMDHYJDT-UHFFFAOYSA-N 410.923 2.864 0 50 HFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)C(C)C)C3)cc1 20419384 MIXCZDYTYNCLIM-UHFFFAOYSA-N 410.518 2.567 0 50 HFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NC1(c2ccccc2)CC1 20906810 ULJUBONGGKNPOJ-IBGZPJMESA-N 415.896 2.975 0 50 HFAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@@H]4C2=O)cc1C 77337810 CWUINVXKTWFQLB-UYZIEWPDSA-N 409.511 2.705 0 50 HFAA C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NCc1ccco1 109325400 XJUQMKZVPAOGRQ-OAHLLOKOSA-N 421.432 2.830 0 50 HFAA CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)n2)c1 225462219 CYRNXMHVALEZKW-AWEZNQCLSA-N 410.396 2.594 0 50 HFAA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1Cl 242273627 YEMXTSVNUMEDGD-FTJNGKRUSA-N 414.936 2.558 0 50 HFAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2nc[nH]n2)c1 252571332 XVAWJHZWWGLLHL-GOSISDBHSA-N 418.457 2.558 0 50 HFAA CCN(CC)CC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 426526850 JWCIDICIMWSXBG-JOCHJYFZSA-N 405.514 2.517 0 50 HFAA C[C@@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)c2)NC(=O)NC1=O 481411523 XTMOGMXQODDJLS-QFIPXVFZSA-N 406.417 2.560 0 50 HFAA Cc1ccc(C(=O)N2CCC(N3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)cc1 683284098 UKDLVCIQXRDXMV-DEOSSOPVSA-N 403.482 2.993 0 50 HFAA Cc1cccc([C@H](CC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)NC(N)=O)c1 914643890 XNXZRXIWCBXLCD-GQNJLHKYSA-N 415.534 2.967 0 50 HFAA Cc1ccc(C(=O)N2C[C@@H]3CN(c4nnc(C)s4)C[C@@]3(CCC(=O)O)C2)cc1 1772812368 GPWDIXCXHFPLNC-OXQOHEQNSA-N 400.504 2.598 0 50 HFAA CSCC(=O)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@]2(CCC(=O)O)C1 1772813735 RGVBSEFQXWZIIL-IIBYNOLFSA-N 402.516 2.921 0 50 HFAA COc1ccc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1F 1857684998 MWCMLMKVKPRYPG-HNNXBMFYSA-N 404.467 2.860 0 50 HFAA COc1cccc(OC)c1CN1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3 1857711712 DEDJFJYQAULTOF-OHVLKYKYSA-N 402.535 2.846 0 50 HFAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)NCc3cncs3)cc(C(C)C)nc21 1875259829 CCKXEKLDRQKZCG-UHFFFAOYSA-N 401.492 2.663 0 50 HFAA COc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c1 893885 ISGNCYQFFQDEIJ-UHFFFAOYSA-N 411.483 2.602 0 50 HFAA COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2F)cc1 1109673 NAIGSDXTECXYOS-SFHVURJKSA-N 415.490 2.833 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)NCCCN2CCCC2)cc1)c1ccccc1 10450111 BWTHMKJYICWOEM-UHFFFAOYSA-N 415.559 2.869 0 50 HFAA COCCNC(=O)c1ccc(OC2CCN(C(=O)c3ccoc3)CC2)c(Cl)c1 11842631 VOZFQZGUDYCTEQ-UHFFFAOYSA-N 406.866 2.993 0 50 HFAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 12138685 DGUIPCJBNNRLAS-UHFFFAOYSA-N 413.499 2.685 0 50 HFAA Cc1cc(C)nc(CCNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12432519 QPXMPKOWXCLWFC-UHFFFAOYSA-N 422.529 2.846 0 50 HFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(Cl)cc2)cc1OC 13896631 HJMHMSJVOCTOMD-UHFFFAOYSA-N 424.906 2.831 0 50 HFAA O=C(c1ccn(COc2cccc(Cl)c2)n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 13960024 NPAGOCDIVGIOIG-INIZCTEOSA-N 420.750 2.994 0 50 HFAA Cc1ccccc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 20511910 LJJWGOWNDOWARY-UHFFFAOYSA-N 421.950 2.618 0 50 HFAA COc1ccc(-n2ccnc2CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 22851288 QPCMOGNIPRZGQL-QFIPXVFZSA-N 421.545 2.653 0 50 HFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528185 AJYQJRINGHJXIU-UHFFFAOYSA-N 401.898 2.701 0 50 HFAA CN(Cc1ccccn1)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82116298 WSCWVAZIYJKNQV-NRFANRHFSA-N 407.562 2.812 0 50 HFAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3OC)C2)c1 170615211 BIZJPANESPOMSJ-GOSISDBHSA-N 420.487 2.832 0 50 HFAA O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc2scnc12 242178823 XBCVBPDASKAHPI-INIZCTEOSA-N 403.529 2.648 0 50 HFAA CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 263615246 BJGYUGCNVIRCEF-FQEVSTJZSA-N 410.518 2.841 0 50 HFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC1(N2CCOCC2)CCCCC1 302795670 ZNYAKHKWAKGHNG-QFIPXVFZSA-N 413.562 2.674 0 50 HFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCc1c[nH]c2ccc(F)cc12 334161329 AHBMLSFVCCOQNS-AOIWGVFYSA-N 404.511 2.692 0 50 HFAA Cc1nc([C@@H](NC(=O)Nc2cc(-n3cnnn3)ccc2C)c2ccccc2F)no1 438035995 PSNOSECCWZDTCO-KRWDZBQOSA-N 408.397 2.712 0 50 HFAA Cc1nc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)nn1-c1n[nH]c(C(F)(F)F)n1 474299184 XTRQMAFTDRAXNQ-JTQLQIEISA-N 407.400 2.809 0 50 HFAA CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2ccc([S@](C)=O)cc2)cc1 749777602 KWXOMASSRDZATR-LJAQVGFWSA-N 417.487 2.590 0 50 HFAA Cc1cc(C)n(Cc2ccc(C(=O)NC3CCN(C(=O)N4CCCC4)CC3)cc2)n1 952970251 UESUAUFROIJJCX-UHFFFAOYSA-N 409.534 2.958 0 50 HFAA O=C(COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1)N1CCCC1 1529158720 JJPPYVVGTWAVSO-ISKFKSNPSA-N 410.514 2.622 0 50 HFAA O=C(Cc1noc2ccccc12)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857725395 UONRCRUNVZKGOA-MZKRTTBSSA-N 403.438 2.671 0 50 HFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(c3ncc4c(ncn4C)n3)CC2)n1 2356170090 URLIFHXHYAXZHP-UHFFFAOYSA-N 406.416 2.622 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 797052 PAGGRPUQDKROCL-UHFFFAOYSA-N 414.527 2.681 0 50 HFAA COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 1051125 BDJVIMJNLDMHIG-INIZCTEOSA-N 406.479 2.551 0 50 HFAA COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 3105412 GSUOYFMALKWGSV-OAHLLOKOSA-N 404.488 2.883 0 50 HFAA COc1cc(C)c(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)cc1C 12134503 OGHCVIXLVDLEDM-PMACEKPBSA-N 412.538 2.517 0 50 HFAA COCCCn1c(CN2CCC(Cc3ccc(F)cc3)CC2)cnc1S(C)(=O)=O 12447194 LSVWKGCNGIWBPQ-UHFFFAOYSA-N 423.554 2.917 0 50 HFAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1ccccn1)C2 14538004 FEESUTKTKWQCDO-UHFFFAOYSA-N 404.518 2.817 0 50 HFAA CCOc1ccccc1CN1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCc1ccc(C)cc1 14960642 HZAFALLIEODKGT-SFTDATJTSA-N 420.517 2.512 0 50 HFAA COCCCNC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 17091964 GECXUADICUSAAV-UHFFFAOYSA-N 419.572 2.757 0 50 HFAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N1CCc2c(Cl)cccc2C1 55107932 XQHOFJNTSXDUCE-FQEVSTJZSA-N 415.896 2.755 0 50 HFAA COc1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)ccc1OCCN1CCCC1 55132815 DDSLZJLGXZGIEI-UHFFFAOYSA-N 405.462 2.689 0 50 HFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccccc1Cl)CC(=O)N2 65362172 ZDXURTVIRGMPDZ-HNNXBMFYSA-N 424.892 2.935 0 50 HFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 82137338 MFSDTUGOBSDSBX-OAQYLSRUSA-N 412.578 2.981 0 50 HFAA CCc1ccccc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169759451 DCQAHRCFIBVMMI-UHFFFAOYSA-N 402.454 2.856 0 50 HFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ncnc2[nH]cnc12 222048606 RHHHULLVJSEFIL-OFNMTCSPSA-N 403.870 2.801 0 50 HFAA COc1cc(OC)cc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 225499037 PFEZWQDRUQWPDT-SFHVURJKSA-N 420.487 2.832 0 50 HFAA O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239402576 QUPXXFWXUSLVRA-FIPIOZDTSA-N 416.477 2.560 0 50 HFAA C[C@@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1 253428377 CWWVGQXXOAFQRQ-ZWKOTPCHSA-N 411.587 2.744 0 50 HFAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1 463336420 WEMCZJSLMBCVBO-FQEVSTJZSA-N 422.453 2.904 0 50 HFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCCN(C(=O)c3ccco3)CC2)no1 952860179 HIKJVDKUTFLSLA-UHFFFAOYSA-N 403.870 2.978 0 50 HFAA Cc1cccc(Nc2nc(N)nc(CN(C)C[C@H]3CC(=O)N(C4CCCC4)C3)n2)c1 1529173623 ZPACBBJRBQUAQH-MRXNPFEDSA-N 409.538 2.729 0 50 HFAA COc1ccccc1Cc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(-c2ccc(Cl)cn2)n1 1857715034 YFKIRDDURQXPQU-USXIJHARSA-N 413.909 2.871 0 50 HFAA CCn1cc(CCS(=O)(=O)c2ncc(-c3ccc4c(c3)OCCO4)n2CC)cn1 1875303376 RDOMNFXMRNFLNW-UHFFFAOYSA-N 416.503 2.574 0 50 HFAA Clc1nc2c(Br)c[nH]c2c(=NCc2ccncc2O[C@H]2CCNC2)[nH]1 1875334493 PQNMZZQRBWQLRR-JTQLQIEISA-N 423.702 2.544 0 50 HFAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn12 1940198030 IOQBUMSPSPLFRG-UHFFFAOYSA-N 402.458 2.813 0 50 HFAA Cc1ccc(O)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCN(C(=O)c2cncc3nc[nH]c23)C1 2332239575 QRQHSMFBXLCMJV-FOIQADDNSA-N 419.485 2.739 0 50 HFAA Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(Br)s3)ccc21 1058495 HZGYZDNQKCEQGA-UHFFFAOYSA-N 402.295 2.502 0 50 HFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCCC1 1204470 QUUOENNAPWKTCY-UHFFFAOYSA-N 405.454 2.938 0 50 HFAA COc1ccccc1-n1cc(C(=O)NCCN2Cc3ccccc3O[C@H](C)C2)cn1 11981899 WEVMJNIHKZQFSX-QGZVFWFLSA-N 406.486 2.894 0 50 HFAA CC1(CCC(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)CC1 12578947 RYEWQGDWYGIJMI-FQEVSTJZSA-N 405.583 2.565 0 50 HFAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cnccc12 12582500 QKUYWMGXYMYAGH-HSZRJFAPSA-N 416.525 2.892 0 50 HFAA COc1ccc(CNCCc2cn[nH]c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12701784 RPXMKHMNWZDDIF-QFIPXVFZSA-N 424.545 2.622 0 50 HFAA COc1ccc(NC(=O)c2ccccc2SC)cc1S(=O)(=O)N1CCOCC1 13568371 UXNCVGVQJZWICM-UHFFFAOYSA-N 422.528 2.690 0 50 HFAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 15063047 UGKIDGNRERMYLD-KRWDZBQOSA-N 422.485 2.673 0 50 HFAA CCN1CCC[C@H](N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)C1 20539603 UYFOORLWEJBFIG-NRFANRHFSA-N 416.610 2.648 0 50 HFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1C 38530902 OLNFLBJLDFLDNJ-UHFFFAOYSA-N 415.563 2.595 0 50 HFAA O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1 40391511 UESHRBPBTWFOIJ-UHFFFAOYSA-N 400.373 2.629 0 50 HFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc([C@H](C)N(C)C)cc2)c1 72159030 AVJLQNBGIQGPHG-AWEZNQCLSA-N 406.504 2.599 0 50 HFAA Nc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)cn1 95355116 CNHFKJNFPOMTSX-UHFFFAOYSA-N 400.429 2.597 0 50 HFAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCc3n[nH]cc3C2)CC1 95530673 NTACWSCOUVWLAB-UHFFFAOYSA-N 402.882 2.651 0 50 HFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cccc(F)c1 169764811 RKVHPJQBYKYLBC-SFHVURJKSA-N 415.808 2.995 0 50 HFAA CCn1nccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777571 PJOADHSQYJLSLK-UHFFFAOYSA-N 418.461 2.689 0 50 HFAA Cc1nc(CO[C@@H]2CCN(C(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)C2)cs1 170599079 PQZGAWXUKIOWTN-TZIWHRDSSA-N 415.559 2.953 0 50 HFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1noc(-c2ccccc2)n1 263619361 YJCCIIIEJGHAGW-UHFFFAOYSA-N 417.400 2.893 0 50 HFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cc(N2CCNC2=O)ccc1F 682802978 NMRSGPBUCGOZQG-CQSZACIVSA-N 400.429 2.845 0 50 HFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCc1nncn1C1CCCCC1 825190526 HYSPQUNDQBVAPZ-UHFFFAOYSA-N 400.508 2.756 0 50 HFAA Cn1ccnc1-c1ccccc1C(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1 952969435 CWVRRDQBWGBXBO-KRWDZBQOSA-N 403.486 2.764 0 50 HFAA COc1cc(F)c(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c(F)c1 1529178187 JVHPGKZFBXWKCV-UYAOXDASSA-N 423.412 2.565 0 50 HFAA CC1(C)CNC(=O)C2(CCN(c3cc(-c4ccc5c(c4)OCO5)ccn3)CC2)NC1 1775980887 KKVTVULVJBEFKS-UHFFFAOYSA-N 408.502 2.562 0 50 HFAA Cc1cc(F)ccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857710326 QRVHXEDQGKABRO-SFTDATJTSA-N 400.498 2.936 0 50 HFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCCc4ncc[nH]4)CC3=O)sc2c1 1857732631 YSERHBJQTAHAAS-ZDUSSCGKSA-N 413.503 2.520 0 50 HFAA NCc1ccc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 1875254052 ZJBHGJGHYAAUIW-UHFFFAOYSA-N 412.515 2.961 0 50 HFAA O=C(N=c1ccn(-c2ccccc2Cl)[nH]1)NCCS(=O)(=O)Nc1ccccc1 2325744653 AVTCWHYPQDBLCG-UHFFFAOYSA-N 419.894 2.511 0 50 HFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC1)OCC2 2356141930 WPBCHMIZYHPYGF-UHFFFAOYSA-N 415.511 2.803 0 50 HFAA Cc1nonc1N1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC1 2356164468 UHPNEJFOKUYRRN-UHFFFAOYSA-N 400.442 2.951 0 50 HFAA COc1cc(SC)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 784113 LLJKTHNTQHUTAO-UHFFFAOYSA-N 416.499 2.907 0 50 HFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 815588 XSWKDXTXUYRIEB-MAUKXSAKSA-N 404.488 2.550 0 50 HFAA COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)ccc1O 2784654 UBUWFXBMRVPAOZ-FQEVSTJZSA-N 412.442 2.993 0 50 HFAA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4c(Br)cnn4C)nc3c12 2790825 ONZAZOKWLGCTTI-UHFFFAOYSA-N 420.296 2.512 0 50 HFAA COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(=O)NCc2ccco2)cc1 5916890 JIMXZTHZYLRFGB-UHFFFAOYSA-N 421.453 2.977 0 50 HFAA O=C(CSc1nn2cnnc2s1)Nc1ccc(I)cc1 8436829 KTLYJOBFCANPOU-UHFFFAOYSA-N 417.257 2.521 0 50 HFAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=O)C1 11998749 JDYREFLKYSBHRN-GFCCVEGCSA-N 414.405 2.822 0 50 HFAA Cc1nnc(CNCc2cc(Cl)ccc2OC[C@H](O)CN2CCCCCC2)[nH]1 12299276 QDIAIVDWNQWUHL-GOSISDBHSA-N 407.946 2.672 0 50 HFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 12439104 XAPNVVOMJMLFIL-OAHLLOKOSA-N 402.470 2.848 0 50 HFAA CCOC(=O)[C@H]1CCCCN1C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 12718591 OQAVXYOBJZIRSV-GOSISDBHSA-N 415.490 2.740 0 50 HFAA CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCCC1 16649450 KRXUUYWJNGUHQE-UHFFFAOYSA-N 405.545 2.908 0 50 HFAA O=C(c1cncs1)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1 20781855 IVECQCUDLBHAMD-SFHVURJKSA-N 401.532 2.907 0 50 HFAA Cc1cc(N2CCN(CCO)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 21799172 HYBDYCXXSIJTOU-UHFFFAOYSA-N 423.414 2.977 0 50 HFAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)sc2nc(CN(C)CC(=O)OC)ccc12 39406088 LLKTYSLRFBVUIP-NSHDSACASA-N 407.492 2.672 0 50 HFAA Cc1ccc(Oc2ncccc2CNC(=O)C[C@@H]2CN(C)CCN2C)c(F)c1F 39532527 WRFJVTPJZPSQRH-MRXNPFEDSA-N 404.461 2.713 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)N(C)c3cccc(C)c3)C3=C2C(=O)OC3)cc1 169757973 QSVADMFHWQLGQO-NRFANRHFSA-N 405.454 2.844 0 50 HFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(F)cc(F)c3)C3=C2C(=O)OC3)cc1 169757989 PHIZQSVXKIAURA-IBGZPJMESA-N 413.380 2.789 0 50 HFAA CC[C@@H](C)[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 252516480 STDQPPOMFNGHQX-MOOKXKAQSA-N 419.525 2.865 0 50 HFAA biogenic COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1OC 263616687 KAWYDDKYIJHTIY-IBGZPJMESA-N 412.421 2.636 0 50 HFAA O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1)c1ccccc1 263616909 LDJYSNXOVAXZPT-QHCPKHFHSA-N 417.513 2.944 0 50 HFAA CC(C)c1cccc(OCC(=O)N2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)c1 328606252 QVMIMNRKSWSABK-IBGZPJMESA-N 410.518 2.819 0 50 HFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CO)(c2ccccc2)CC1 480051318 NZUFJPFASCBGSW-HSZRJFAPSA-N 419.525 2.768 0 50 HFAA COc1ccccc1[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1nccn1C 761656637 KPPVQYBEWQBOGG-IBGZPJMESA-N 424.480 2.584 0 50 HFAA Cn1cc(Cl)cc1C(=O)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772808681 YDHDFMBRWWKVGT-ZHRRBRCNSA-N 413.905 2.991 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772819558 OYVHCJIMRWRSTA-JTSKRJEESA-N 410.543 2.510 0 50 HFAA CCn1c(O)nc2cc(C(=O)NCc3cnn(-c4cccc(Cl)c4)c3)ccc2c1=O 2325719299 YNLKOQIUHVWHIU-UHFFFAOYSA-N 423.860 2.891 0 50 HFAA O=C(N[C@H](C(=O)NCCc1ncc(C(=O)O)s1)c1ccccc1)c1ccccc1 2325877778 ZURMWCXSKVGJEY-SFHVURJKSA-N 409.467 2.671 0 50 HFAA C=CC(=O)Nc1cc(C(=O)N2CCC(O)(Cc3ccccc3OC)CC2)ccc1O 2325890175 JCUYFAOJNNGIJE-UHFFFAOYSA-N 410.470 2.735 0 50 HFAA COc1ccc(N([C@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 653055 YBVDJDSGMWANGF-CYBMUJFWSA-N 408.476 2.506 0 50 HFAA CCN(CC)CCn1c(=N)n(C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 789761 WXRNCFBNFDNYST-SFHVURJKSA-N 412.534 2.713 0 50 HFAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN1C(=O)c2ccccc2C1=O 1124336 BRKANFBPIKCYDZ-UHFFFAOYSA-N 404.426 2.770 0 50 HFAA Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 1124504 QCZHZXCRRHTVLD-WBVHZDCISA-N 415.563 2.841 0 50 HFAA Cc1cc(I)ccc1NC(=O)c1ccc(-n2cnnn2)cc1 11690483 CYPGDVJHZGGEMW-UHFFFAOYSA-N 405.199 2.828 0 50 HFAA O=C(c1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 14538146 UHWVGJPOONFLIV-NRFANRHFSA-N 408.502 2.679 0 50 HFAA CCN1CCN(C[C@@H](O)COc2cccc(CNC3(c4ccccc4)CC3)c2)CC1 19340308 WDQCDQZOEDHFHI-HSZRJFAPSA-N 409.574 2.843 0 50 HFAA CC(C)CS(=O)(=O)c1ncc(CN2C[C@H](C)O[C@H](C)C2)n1Cc1ccccc1 20906161 USDDBOUCJAPAGY-HDICACEKSA-N 405.564 2.970 0 50 HFAA Cc1c[nH]c(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3C2)c1 77486566 FSSXNMNPSPIBBP-UHFFFAOYSA-N 400.460 2.619 0 50 HFAA CCC(C)(C)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82120367 HWSHOINYJHRGEQ-LJQANCHMSA-N 400.567 2.837 0 50 HFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C3=C2C(=O)OC3)cc1 169757988 NJRJJPHSVVBBJS-LJQANCHMSA-N 413.380 2.789 0 50 HFAA CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)n1 169777333 PTIWZOJPXGMMCM-UHFFFAOYSA-N 400.870 2.950 0 50 HFAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 239235808 WTMGGVNHCZMOHF-JEWRLFTDSA-N 406.276 2.935 0 50 HFAA CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 245253614 JOZUTRHSMRQYDN-AMHTUMDSSA-N 420.550 2.907 0 50 HFAA O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)C1(O)CCCCC1 252485769 HDMFXHLDONLGAJ-QGZVFWFLSA-N 400.441 2.646 0 50 HFAA COc1ccc(CCn2ccn3nc(-c4ccc(OC)cc4)c(CO)c3c2=O)cc1 263615610 DEZOQLGWXFOHAD-UHFFFAOYSA-N 405.454 2.915 0 50 HFAA COc1ccc(CCN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1OC 263618083 RDXNXUQTNVMCCC-NRFANRHFSA-N 410.449 2.781 0 50 HFAA CC1(C)CN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CCc2ccccc21 1226089925 UMZKCROHBHKOAZ-DEOSSOPVSA-N 420.513 2.787 0 50 HFAA Cc1ncc(CN(CCO)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)[nH]1 1704326079 VVXXIMZVQRMOOV-UHFFFAOYSA-N 404.514 2.911 0 50 HFAA CN1CCN(C(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)CCC1=O 1857733910 FIUHEVZYMSUZNG-AWEZNQCLSA-N 404.898 2.778 0 50 HFAA CSc1cc(C(=O)N[C@H](CNC(=O)C2(O)CCSCC2)C(C)(C)C)oc1C 1875348130 YENHGZBBKIWPEG-OAHLLOKOSA-N 414.593 2.829 0 50 HFAA O=C(O)c1nccnc1-c1cn(C[C@H]2CCCN2C(=O)C2(C3CCCCC3)CC2)nn1 1875355756 PFDUHTJRBIBIJV-MRXNPFEDSA-N 424.505 2.785 0 50 HFAA CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3[nH]2)cc1F 1875358087 IVXYLPRPIMECSH-UHFFFAOYSA-N 418.859 2.528 0 50 HFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnccn4)C3)[C@@H]3CCCC(=O)N23)c1 2356159015 IKAMMZKFLSNMBT-KSCDAYEDSA-N 420.513 2.570 0 50 HFAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2CCn1c(=O)oc2ccccc21 2356169150 MURGVPJIFUITGE-HSZRJFAPSA-N 406.486 2.647 0 50 HFAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1ncn(Cc2cccc(Cl)c2)n1 2804398 KMMYVWFHTNQHSF-UHFFFAOYSA-N 416.841 2.989 0 50 HFAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCC1 2879319 SMBVIGITVUJYPO-UHFFFAOYSA-N 402.516 2.911 0 50 HFAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCCC1 7466479 NLLUIBGCEHNNTQ-UHFFFAOYSA-N 403.504 2.585 0 50 HFAA O=C(NN1C[C@H](C(=O)OCc2ccc(Br)cc2)CC1=O)c1ccccc1 9591710 LTANULXABATKNZ-OAHLLOKOSA-N 417.259 2.686 0 50 HFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cn(Cc2c(F)cccc2F)nn1 12026680 CWABIQFVACIMMN-CYBMUJFWSA-N 400.385 2.565 0 50 HFAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCCCC3)c2)CC1 12596454 SQIKGDJFABZDHY-UHFFFAOYSA-N 423.579 2.743 0 50 HFAA CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 13711141 ZTOLOFUJLDBKRC-FQEVSTJZSA-N 401.532 2.580 0 50 HFAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C(C)C)CC2 14532627 BZNAETHCTGWXSI-UHFFFAOYSA-N 403.523 2.739 0 50 HFAA Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)c1 19369050 MYAZFJGERDNGPR-UHFFFAOYSA-N 421.545 2.689 0 50 HFAA CN(c1cccc(C(=O)Nc2ccccc2C(N)=O)c1)S(=O)(=O)c1ccccc1 67338899 IEVKYJQSHMLCQO-UHFFFAOYSA-N 409.467 2.863 0 50 HFAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 82157669 UEXHOTPVPVOPKC-OAQYLSRUSA-N 407.562 2.602 0 50 HFAA COCC(=O)N1CCc2[nH]cnc2C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2 95498903 SPRYSVHIFDUCFH-MRXNPFEDSA-N 400.523 2.827 0 50 HFAA CC(C)(C)CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95523910 LHYJUAITFUAYIC-UHFFFAOYSA-N 402.944 2.919 0 50 HFAA COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 221999582 XPUJALWQVXBJMR-GXVVCJCISA-N 403.475 2.864 0 50 HFAA CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nc3cc(OC)ccc3[nH]2)cc1 225548129 RVZFUIMSVLDIFH-LBPRGKRZSA-N 403.460 2.788 0 50 HFAA O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc2scnc12 242178824 XBCVBPDASKAHPI-MRXNPFEDSA-N 403.529 2.648 0 50 HFAA COC(=O)[C@]1(C)C[C@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2ccc(Cl)cc2)N1C 257372089 DQMGMIQBYAZXMS-SOADLSRISA-N 408.926 2.684 0 50 HFAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)NCCc1ccc(OC)cc1 824216556 GRYFRKMQQVXYKU-UHFFFAOYSA-N 416.455 2.658 0 50 HFAA COC[C@H](C)OC[C@H](O)CN1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952891942 DESPBANKYRNELN-PKOBYXMFSA-N 415.534 2.744 0 50 HFAA COC[C@H](c1ccccn1)N(C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C 952984633 XNSYYFZFFPUKTF-LJQANCHMSA-N 400.504 2.892 0 50 HFAA Cc1c(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)c(=O)n(-c2ccccc2)n1C 1506421941 LTEGNUXTFMJSJX-QFIPXVFZSA-N 400.486 2.750 0 50 HFAA CN1C(=O)COc2ccc(C(=O)N3[C@H]4CC[C@@H]3[C@@](CO)(Cc3ccccc3)C4)cc21 1857680665 RTZHHHKORHRFBH-VNZMSGEBSA-N 406.482 2.640 0 50 HFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 1875371847 NITSWDYDMIAHFV-DOTOQJQBSA-N 412.408 2.910 0 50 HFAA O=C(c1cc(C(F)F)[nH]n1)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197380 LZUZJDHLZMBEPP-OXJNMPFZSA-N 407.417 2.648 0 50 HFAA Cc1ccc(N2CCC(NC(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)nc1 2325737972 FGVJJNHHORWKQQ-UHFFFAOYSA-N 418.501 2.786 0 50 HFAA CC(C)(O)[C@H]1CN(c2nnc(-c3ccc(F)cc3Cl)n2C[C@@H]2CCCO2)CCO1 2325840279 WFPPPZLIIBBDLW-WMLDXEAASA-N 424.904 2.893 0 50 HFAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 1076546 IZTMGRLWYFVGAE-JOYOIKCWSA-N 422.890 2.519 0 50 HFAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1 3628998 UKUOZWCHGRXMJE-IBGZPJMESA-N 404.488 2.926 0 50 HFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 5067619 XORAHJDHRKCNMQ-UHFFFAOYSA-N 400.815 2.613 0 50 HFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1OC 11697636 QEEDKCYMVAUSEV-UHFFFAOYSA-N 420.473 2.595 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)cc(OC)c1 12316417 NSBFUKYRXRCQRH-INIZCTEOSA-N 400.479 2.558 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 14535932 VICMRQCQHFKQIS-QGZVFWFLSA-N 402.539 2.878 0 50 HFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@@H](C)Cc2ccsc2)c1=O 14881521 WDLFCPHBNKMGFZ-INIZCTEOSA-N 423.538 2.873 0 50 HFAA CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(C)=O 20654164 SLJWOYNOCZTLDC-UHFFFAOYSA-N 417.531 2.550 0 50 HFAA CCN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 20909806 LWLLTVYKRYHEES-UHFFFAOYSA-N 408.612 2.785 0 50 HFAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598122 LXNZUNPIAHYWEH-UHFFFAOYSA-N 401.833 2.809 0 50 HFAA CCc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67630032 UWCMUQTVQZJYAJ-UHFFFAOYSA-N 415.559 2.887 0 50 HFAA CC1=NO[C@H](C(=O)Nc2nn(CC(F)(F)F)c3cccc(N4CCOCC4)c23)C1 72469237 FHBUHBOWLVLVPW-AWEZNQCLSA-N 411.384 2.539 0 50 HFAA Cc1ncc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)c(=O)[nH]1 95528324 VJTYCPGUSYRYFX-KRWDZBQOSA-N 402.926 2.758 0 50 HFAA COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772728 VIGAYFJSCRIHDB-CYBMUJFWSA-N 407.430 2.522 0 50 HFAA O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5C=C34)[C@@H]2C(=O)N1c1ccc(F)cc1 238923896 QDNJKBZKGZUKGQ-XPSPZTMYSA-N 400.456 2.889 0 50 HFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)C(C)C)cc1 239433969 YVABYKAOWRYTBP-GUDVDZBRSA-N 401.507 2.708 0 50 HFAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1CCN(C(=O)c2ccco2)CC1 253495923 WIHOVHABRWOVFX-UHFFFAOYSA-N 419.481 2.751 0 50 HFAA Cc1c(C)[n+]([O-])c([C@H](C(C)C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587384 GHCCAIZNZOZKGI-QGZVFWFLSA-N 400.475 2.979 0 50 HFAA Cc1ccc(OCCN(C)C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C)C2=O)cc1 299769639 QUXKHHCWZIXNRF-QHCPKHFHSA-N 412.461 2.688 0 50 HFAA Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1C[C@@H]1CCCCO1 461855283 REMUBGBDXJQBGK-FQEVSTJZSA-N 415.513 2.576 0 50 HFAA COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888088523 DPJPEVLNBKNKJW-HNNXBMFYSA-N 417.412 2.801 0 50 HFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 952974076 HNXAVDQOUFVZTJ-QGZVFWFLSA-N 407.430 2.521 0 50 HFAA COc1cc2c(cc1CN1CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]14)OCO2 1857738094 QYRBVHVOZRRKJS-LXBDKUERSA-N 408.454 2.698 0 50 HFAA CCc1ccc(CC(=O)NC[C@H]2[C@H]3CN(Cc4ccncc4)C[C@]34CC[C@H]2O4)cc1 1857739983 BWIHMVZPPUHNPY-XJTUCQONSA-N 405.542 2.982 0 50 HFAA Cc1cccc(/N=c2/scc(-c3cnn(C)c3)n2CCCN(C)S(C)(=O)=O)c1 1875260173 MVXGVWDLIRTTHZ-XUTLUUPISA-N 419.576 2.772 0 50 HFAA NC(=O)Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 1875362438 FHBYMGVQJWWGJL-KRWDZBQOSA-N 403.276 2.691 0 50 HFAA CC(C)(OCC(F)(F)F)C(=O)N[C@H]1CCCN(C(=O)C2([C@@H]3CCCCO3)CC2)C1 2325829516 LNRJXBWPRKDEPR-GJZGRUSLSA-N 420.472 2.800 0 50 HFAA Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCOCC1 1059231 KBCOBBQXHZATHS-UHFFFAOYSA-N 423.498 2.582 0 50 HFAA CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O 4142237 MTPYENPPPHZQOH-HUUCEWRRSA-N 420.531 2.865 0 50 HFAA O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21 4992938 FIROCMSGTXYMAU-OAHLLOKOSA-N 418.453 2.650 0 50 HFAA CCN(Cc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 11661369 XAJFCPYURHCWIG-UHFFFAOYSA-N 415.563 2.675 0 50 HFAA COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12121567 SHDVMAWMHRNKSR-UHFFFAOYSA-N 404.467 2.743 0 50 HFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O 12304097 DNEXSHTYGNPOBR-HXUWFJFHSA-N 403.542 2.941 0 50 HFAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CCCc1ccccc1 20535408 ZNVJTAMSSRFMPF-UHFFFAOYSA-N 402.520 2.930 0 50 HFAA c1cc2c(cc1CN1CCN([C@H]3CCCN(C4CCSCC4)C3)CC1)OCO2 20999046 IPQZMGVWRDIQOH-FQEVSTJZSA-N 403.592 2.893 0 50 HFAA Cc1ccc(S(=O)(=O)NC2=C([n+]3ccccc3)C(=O)c3ccc(C)cc3C2=O)cc1 43214904 XAKPTXWETMUEEU-UHFFFAOYSA-O 419.482 2.817 0 50 HFAA O=C1NCCN(Cc2cccnc2)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55197153 OMZACVMEUNBSAE-JOCHJYFZSA-N 406.530 2.601 0 50 HFAA O=C(N[C@H]1CCCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67695012 LUANSYHHCURVMS-IBGZPJMESA-N 405.546 2.717 0 50 HFAA CCc1cc(N2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)nc(C)n1 95517092 QBIMEDZOYKJLDC-UHFFFAOYSA-N 401.599 2.941 0 50 HFAA Cc1ccc(-c2nnc(NCc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)o2)c(C)c1 225430827 QVQTZEAGGOIYCS-LJQANCHMSA-N 401.492 2.696 0 50 HFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 245256307 OJSQIZKKEXDXAI-MLNNCEHLSA-N 416.477 2.791 0 50 HFAA O=C(C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccccc1 252527802 DJRHECDNNQJJDK-HXUWFJFHSA-N 404.470 2.584 0 50 HFAA CN1CCCCC[C@@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccncc1 299758157 NZPCKZGXAJHWOL-LEWJYISDSA-N 412.578 2.634 0 50 HFAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cnn(Cc2ccccc2Cl)c1 409414429 QNTPMUBTTNUZCW-SFHVURJKSA-N 423.860 2.664 0 50 HFAA Cc1noc(CN(C)C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 426730266 BQICOJSTYYDOEW-UHFFFAOYSA-N 401.492 2.875 0 50 HFAA CN1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CC2)CC1 438434025 IDXQXNSFUXGYNW-XUTJKUGGSA-N 416.541 2.657 0 50 HFAA CCOc1cc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)ccc1Cl 670439109 PDRJWNGPHMRMLS-CYBMUJFWSA-N 400.928 2.808 0 50 HFAA COc1ccc(NC(=O)[C@@H](c2ccccc2)n2c(O)nc3ccccc3c2=O)cn1 888089600 QQDIZFDQQMSNGR-LJQANCHMSA-N 402.410 2.734 0 50 HFAA O=C(O)c1cccc(S(=O)(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c1 1506403774 VPESILSQYRXQLD-HXUWFJFHSA-N 403.500 2.779 0 50 HFAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 1506412118 AGBVBPNVICRNAC-KEODLESXSA-N 420.482 2.823 0 50 HFAA CC(C)[C@@H]1CN(C(=O)CSc2nncn2C)CCCN1Cc1ccc(F)cc1 1506417960 CWPBCBLLQLAFJQ-SFHVURJKSA-N 405.543 2.805 0 50 HFAA CCCc1cc(C(=O)N[C@H]2CCCC23CCN(C(=O)C2CCOCC2)CC3)n[nH]1 1857666808 KTHDJSWVHGMNDS-IBGZPJMESA-N 402.539 2.680 0 50 HFAA O=C(CCC(F)(F)F)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857720058 CBRJFAQUQORVBO-HKUYNNGSSA-N 400.441 2.754 0 50 HFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 1214537 HMKGRAXRLYDEJW-UHFFFAOYSA-N 405.447 2.635 0 50 HFAA Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 5027880 RCTMTNFPKMMBCE-UHFFFAOYSA-N 412.471 2.896 0 50 HFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)NC2CCCCC2)CC1 5041531 QJOYXGGJHQSEAG-UHFFFAOYSA-N 401.985 2.854 0 50 HFAA COc1cc(CN(C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)CN(C)C(C)C 12443091 QHLJBHICJYGPKC-NRFANRHFSA-N 418.582 2.720 0 50 HFAA O=C([C@H]1CCOC1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14742322 XWJVGERRBZSGBK-FPOVZHCZSA-N 400.519 2.612 0 50 HFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1ccc(O)cc1)CC2 14743831 UTUQNTMBTFIEKH-UHFFFAOYSA-N 420.513 2.954 0 50 HFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 20018371 JUOITTUZJMVMKS-UHFFFAOYSA-N 409.943 2.823 0 50 HFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1 20408120 WCVJKLCFKLMZBX-UHFFFAOYSA-N 415.449 2.999 0 50 HFAA COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc2c1OCO2 23380288 INLFZUGZVICOQZ-UHFFFAOYSA-N 406.486 2.859 0 50 HFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)cc1 169780194 QFBBIJUWZBURJO-UHFFFAOYSA-N 408.483 2.592 0 50 HFAA O=C1NCCN2CCN(Cc3ccccc3OCc3c(F)cccc3Cl)C[C@@H]12 828314630 CBHOWYYNFDUGLT-IBGZPJMESA-N 403.885 2.674 0 50 HFAA CCCO[C@@H]1CC[C@H](C(=O)NCC2CCOCC2)C[C@H]1NC(=O)c1ccccc1 1857681517 MBCFELKWTHLRTB-PWRODBHTSA-N 402.535 2.923 0 50 HFAA O=S1(=O)CCC(n2ccnc2-c2cccc(OCCCn3ccnc3)c2)CC1 1857731938 VCOFKXLMGIYTDB-UHFFFAOYSA-N 400.504 2.965 0 50 HFAA CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2nccn2C)c1 1875254077 OJRDKMZRAAXXIQ-SFHVURJKSA-N 406.442 2.502 0 50 HFAA Cc1cc(C(=O)N2CCN(C(=O)c3csc4cncn34)C[C@@](C)(F)C2)ccc1O 1875331140 RCYWMUHCGNUAAZ-FQEVSTJZSA-N 416.478 2.736 0 50 HFAA CC[C@H](CC(=O)O)NC(=O)[C@H](C)n1cc(-c2cccc(OC(F)(F)F)c2)nn1 1875354004 NWWWGMJTVGQIJC-CMPLNLGQSA-N 400.357 2.774 0 50 HFAA O=C(NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ncoc1-c1ccccc1F 2325841451 VLDQMXNUQQWTMN-UHFFFAOYSA-N 412.402 2.785 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 662140 JZBXVGCFYIUYBV-AWEZNQCLSA-N 420.487 2.665 0 50 HFAA CCOc1ccc(N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 2085257 SBPCONOBSFOKHG-AWEZNQCLSA-N 402.582 2.888 0 50 HFAA CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccnc1 9264582 UXVRUQVPNOOCIP-UHFFFAOYSA-N 424.530 2.927 0 50 HFAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9341905 DQRHKBGVGCCPNC-JOCHJYFZSA-N 419.481 2.611 0 50 HFAA COc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)c1 11764625 WRYIVPVQUDUABF-GOSISDBHSA-N 407.470 2.960 0 50 HFAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCO2)CC1 12429306 AUNNPVWMZAZVTL-LJQANCHMSA-N 412.490 2.633 0 50 HFAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)c2cncs2)CC1=O 14534999 QSTRXJBVUHPRRI-KRWDZBQOSA-N 405.495 2.808 0 50 HFAA COc1ccc(CCN2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 19881059 BSNUBAVLKQNTCU-PQLNIDLTSA-N 412.530 2.932 0 50 HFAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 20454782 AOFZRSPIAAGDBQ-IBGZPJMESA-N 416.543 2.801 0 50 HFAA CCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)CC1 23362845 YACQQHJIKYLWAO-RTWAWAEBSA-N 407.002 2.881 0 50 HFAA O=C(CN1CCCCC1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55131883 VQJZUMPDCPLXOS-NRFANRHFSA-N 404.986 2.939 0 50 HFAA COCCN1C(=O)C[C@@H](CNCc2ccc(Cl)nc2)[C@@H]1c1cnn(C(C)C)c1 328605086 MHSWBHBMFJBFED-OXJNMPFZSA-N 405.930 2.838 0 50 HFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2cccc(Cl)c2)C1 426082043 ZGRCJKJJFVERMH-LGJACCSKSA-N 413.949 2.727 0 50 HFAA CN(C)c1nc(N)nc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1 426444879 GSJGOGIHINMULC-UHFFFAOYSA-N 417.448 2.804 0 50 HFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 827733250 UUNJHKWOCMECPK-IBGZPJMESA-N 411.502 2.565 0 50 HFAA Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c2cnn(C3CCCC3)c2n1 888105571 SIWBATPINNYLHK-UHFFFAOYSA-N 402.462 2.761 0 50 HFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@]3(CCc4cnc(N)nc43)C2)no1 1704332098 OTYXMQXXGWFZRK-FQEVSTJZSA-N 413.913 2.889 0 50 HFAA CNc1ncccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698826 JTGLWDCVVUNNDR-QHCPKHFHSA-N 416.485 2.801 0 50 HFAA COCc1nc([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n(-c2ccc(F)cc2)n1 1875341152 IGJVTKFJELPKLI-CQSZACIVSA-N 424.432 2.845 0 50 HFAA O=C(COc1ccc2oc3ccccc3c2c1)N[C@H](C(=O)O)[C@H](O)c1cccnc1 2325861514 SCZFQABNNPXWMX-LEWJYISDSA-N 406.394 2.663 0 50 HFAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 662138 JZBXVGCFYIUYBV-CQSZACIVSA-N 420.487 2.665 0 50 HFAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 913060 UYRFCBZILYXXIW-WWGRRREGSA-N 416.377 2.566 0 50 HFAA Cc1cc(C)cc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 916594 JMXNBVWCHMVVJM-UHFFFAOYSA-N 419.522 2.557 0 50 HFAA COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3nnnn32)c1 950937 QWARCOGAPHHYPP-IBGZPJMESA-N 407.430 2.723 0 50 HFAA biogenic COc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 1230374 SSHUDCIBMUMOHG-UHFFFAOYSA-N 411.863 2.589 0 50 HFAA Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 2395982 HRNKLRZPWSMBIH-UHFFFAOYSA-N 417.878 2.814 0 50 HFAA CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCn4ccnc4)C3)nc(C)c2c1 11882369 YVNYXBXCNYRZBI-KRWDZBQOSA-N 408.506 2.566 0 50 HFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)nc(N)n1 12074285 RLDUDFIEPOKFTN-NRFANRHFSA-N 401.461 2.774 0 50 HFAA COc1cc(CN2CCC(CO)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12612528 LLSDZPYPXWJLMF-JOCHJYFZSA-N 420.594 2.904 0 50 HFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NC1Cc3ccccc3C1)C2 14754031 YYCADKGZPAHYFO-SFHVURJKSA-N 410.587 2.706 0 50 HFAA CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)s1 19842423 TWALJLOHHXNRBB-MRXNPFEDSA-N 408.549 2.984 0 50 HFAA O=C(COc1ccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)cc1)N1CCCC1 20598544 CIKJMVKPTAZNSV-UHFFFAOYSA-N 402.458 2.871 0 50 HFAA CCc1n[nH]c2c1CN(C(=O)CCCc1nc3cccnc3n1[C@H](C)COC)CC2 77471387 KWXZWSATUVYJRI-OAHLLOKOSA-N 410.522 2.832 0 50 HFAA CC(C)NC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77517257 HPOQGDMLPQQVFV-UHFFFAOYSA-N 417.531 2.520 0 50 HFAA Cc1ccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cc1C 95372025 TYHCMYWCAGBYLY-QUCCMNQESA-N 402.539 2.638 0 50 HFAA O=C1C[C@@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1Cc1ccncc1 104375798 AKJOYSDGFXTEDX-WXVUKLJWSA-N 403.482 2.680 0 50 HFAA O=C1C[C@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 104442456 KISXTBROSIXNJB-GSMBIVSISA-N 421.472 2.819 0 50 HFAA O=C(N[C@@H]1C[C@@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 170621657 WBBMUUOWMOLDGE-GDBMZVCRSA-N 402.296 2.627 0 50 HFAA COc1ccccc1[C@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)N1CCCC1 253415349 KXFXJQVXBXWNNL-SFHVURJKSA-N 420.506 2.805 0 50 HFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cn5cccnc5n4)C3)C2=O)c1 426374105 AQNVAWCBETTXCD-QHCPKHFHSA-N 403.486 2.693 0 50 HFAA CCc1ccc(CN2CCc3c(C(=O)NCC(=O)NC(C)C)csc3C2)nc1 426737329 CXRUUULWRCJLMG-UHFFFAOYSA-N 400.548 2.518 0 50 HFAA Cc1cccc(Nc2nnc(S[C@@H]3CCN(c4cc(C)nn4C)C3=O)s2)c1 463027399 GYMILMYFGMMRMX-CQSZACIVSA-N 400.533 3.530 0 50 HFAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@@H]1CCCN(Cc2cccs2)C1 825125174 LACYIOYERYEHNY-CQSZACIVSA-N 406.533 2.844 0 50 HFAA COc1cccc([C@@H]2CCN(Cc3cc(=O)n4nc(SC)sc4n3)C2)c1OC 1529146831 QVLDZMPSSWWZNG-GFCCVEGCSA-N 418.544 2.880 0 50 HFAA CN(C)Cc1nc(C(=O)N2CCCN(c3ncnc4sccc34)CC2)cs1 1772805305 JTXJGYQGSIDPPB-UHFFFAOYSA-N 402.549 2.562 0 50 HFAA O=C1CCc2c1cccc2C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)c1ccc(Cl)cn1 1775983920 VSBZODUZXCBKLZ-DJJJIMSYSA-N 409.873 2.851 0 50 HFAA O=C(C1CCCC1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857673611 WSAKILSLPCDAKG-FQEVSTJZSA-N 404.482 2.613 0 50 HFAA C[C@@H](C(=O)N1CCC2(CC1)CC(=O)N(CC1CCCCC1)CCO2)n1cccn1 1857691704 XEWYJAQZFSXSEG-SFHVURJKSA-N 402.539 2.635 0 50 HFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1cnc3ccccc3n1)C2 1857694509 QHQXFBVGSHSOAA-YDIMBITNSA-N 424.545 2.890 0 50 HFAA Cc1nnc(N2C[C@H](C(=O)NCCc3cccc(OCCC(C)C)c3)CC2=O)s1 1857723116 UBYIEDFGNSHHBC-QGZVFWFLSA-N 416.547 2.983 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C 1875305607 FZXQEDXPAYWHMI-UBDQQSCGSA-N 417.506 2.940 0 50 HFAA COc1cc(OC)c(N2C[C@H](C(=O)Nc3ccc(CN)cc3O)CC2=O)cc1Cl 2325843072 SWJMIUUPBCMJST-GFCCVEGCSA-N 419.865 2.513 0 50 HFAA COc1ccc(CC(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(OC)c1 2356153537 LDZFWNHCLQPORC-HSZRJFAPSA-N 410.518 2.609 0 50 HFAA O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1ccsc12 2356155918 NRWSYUXXIHMXPF-INIZCTEOSA-N 412.511 2.897 0 50 HFAA O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCCO2 2842125 UEAKWVDXCUDNOI-UHFFFAOYSA-N 417.270 2.682 0 50 HFAA Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)n1 11844273 UZOAEACLHGRTEA-HXUWFJFHSA-N 413.566 2.561 0 50 HFAA Cn1cc(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)cn1 12305418 FLCQXJBFWGIABL-UHFFFAOYSA-N 405.502 2.789 0 50 HFAA O[C@@H](c1ccccn1)C1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 12308056 MKJVLFJVJAQSBZ-QGZVFWFLSA-N 409.494 2.738 0 50 HFAA O=C(C1CCC1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 14882972 YAFAEDDHCDIIAH-JOCHJYFZSA-N 402.535 2.705 0 50 HFAA CCCn1ncc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1C 20207640 HSRIPWMJYDVAQK-NRFANRHFSA-N 416.566 2.688 0 50 HFAA Cc1c(Br)c(C(F)F)nn1CC(=O)N1CCN(Cc2ccco2)CC1 20616899 GCPXCOQYLPOPGS-UHFFFAOYSA-N 417.254 2.829 0 50 HFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1OC 206233546 HYBOAJRFPJPBFB-QGZVFWFLSA-N 422.441 2.634 0 50 HFAA COc1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 263615754 FBDXSLWFPPDJBH-UHFFFAOYSA-N 408.443 2.721 0 50 HFAA CC[C@@H](CNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccccc1 476084320 NWVKSZBRMZJNEB-KSZLIROESA-N 413.522 2.834 0 50 HFAA COCCN(CCOc1ccccc1F)Cc1cnc(NC[C@H]2CCCO2)nc1 952968639 PEAQZPMDSAQQSM-GOSISDBHSA-N 404.486 2.734 0 50 HFAA NC(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 1506397535 OGEPWMMPXGRYBI-QFIPXVFZSA-N 406.530 2.977 0 50 HFAA Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 1506413980 BEYDRAKUHDSTMM-IBGZPJMESA-N 404.470 2.895 0 50 HFAA CC[C@@H](NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)c1ccnn1C 1506421950 LZCJRVHONPXDOV-SECBINFHSA-N 403.386 2.852 0 50 HFAA CCc1ccccc1C(=O)N1C[C@H]2CN(C(=O)NCc3cccs3)C[C@@]2(CO)C1 1772816737 UAHIOUSXVXMYIB-HTAPYJJXSA-N 413.543 2.587 0 50 HFAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncn(Cc2cccc(F)c2)n1 1857530056 BKRXZXJVWXXQKP-UHFFFAOYSA-N 422.869 2.921 0 50 HFAA CCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCn2cncn2)CC1 1857690754 RGNWNYVQVQFNFI-UHFFFAOYSA-N 403.534 2.569 0 50 HFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN(c2ccc(F)cn2)[C@H](C)C1 1857711768 LLUPADLXNFOGRY-MRXNPFEDSA-N 415.494 2.614 0 50 HFAA Cc1nnc(N2C[C@H](C(=O)N3CCC(Cc4ccc(F)cc4)CC3)CC2=O)s1 1857715827 KAWNQMLBZUXJMW-MRXNPFEDSA-N 402.495 2.820 0 50 HFAA Cn1cc(CN2C[C@H]3NC(=O)CCc4ccc(O)c(c4)Oc4cccc(c4)[C@@H]3C2)cn1 1875242702 YFOKDGOHVFOROF-LEWJYISDSA-N 418.497 2.948 0 50 HFAA C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 1875252055 NWBNHEPZTBLGRI-RBUKOAKNSA-N 424.549 2.554 0 50 HFAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 1875386703 WYTPBZIGARQGBE-LJQANCHMSA-N 406.530 2.703 0 50 HFAA O=C(c1ccc2nccnc2c1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356134176 BXKJFQSNFZQWEG-QHCPKHFHSA-N 401.470 2.822 0 50 HFAA COC(=O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356142917 NGHBKEPOQACMEQ-DYXWJJEUSA-N 408.498 2.921 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1Cl 2356145579 QYBAORDURXIHMA-GOSISDBHSA-N 400.928 2.903 0 50 HFAA Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)n1 2356158579 PSNYLJNRDBRDBB-LDVJMBRRSA-N 420.557 2.971 0 50 HFAA O=C([C@H]1CCCCn2nnnc21)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356161370 RYXXDBRLQVTTOG-KRWDZBQOSA-N 406.490 2.513 0 50 HFAA COc1cc(/C=C(\NC(C)=O)C(=O)Nc2cccc(C(C)=O)c2)ccc1OC(C)=O 1232600 PBFIICONJVWXBL-GRSHGNNSSA-N 410.426 2.939 0 50 HFAA O=C(NCc1cccnc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 6328286 VFOUTCZPDSNTBM-UHFFFAOYSA-N 405.495 2.622 0 50 HFAA CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccnc1 9264586 OBBMYJHOMZDVHM-UHFFFAOYSA-N 408.531 2.801 0 50 HFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)cc1 9667484 IHTXHUPBSXMPPC-NRFANRHFSA-N 419.525 2.903 0 50 HFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11785645 QEIWYDUSKKRRLH-SJORKVTESA-N 407.348 2.918 0 50 HFAA CN(CCc1cnn(C)c1)Cc1cccc(OC[C@@H](O)CN2CCCCCC2)c1 11953176 NGQIJHWIRWYXII-QFIPXVFZSA-N 400.567 2.710 0 50 HFAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CSCCSC2)C1 12298928 KEQQYIIGDCDSOQ-QGZVFWFLSA-N 400.635 2.667 0 50 HFAA O=C(COc1ccc(I)cc1)NCCc1nc2ccccc2[nH]1 12360101 ITELIRWAOWWCJP-UHFFFAOYSA-N 421.238 2.905 0 50 HFAA CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3c(cc21)OCO3 12390411 XYWPFRASCCWCGX-UHFFFAOYSA-N 410.426 2.697 0 50 HFAA O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)NCCCn1nnc2ccccc21 12573222 VPHAGJCMKSWPBU-QHCPKHFHSA-N 405.502 2.609 0 50 HFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cc(CC(C)C)on1)CC2 14536842 JASUEXBRDSAQPN-UHFFFAOYSA-N 400.479 2.855 0 50 HFAA O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(CCCc1ccccc1)CC2 14538349 UUKUPJVBSULFIJ-UHFFFAOYSA-N 418.541 2.796 0 50 HFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cncs2)CN1Cc1cccc(C(F)(F)F)c1 14986939 SDTDDSFUXJWGRQ-KBPBESRZSA-N 413.421 2.708 0 50 HFAA CCOC(=O)CN(C)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 15062293 WCXNCKLAWLULFZ-OAQYLSRUSA-N 400.519 2.553 0 50 HFAA CCOC(=O)c1sc(NC(=S)NC[C@@H]2CCCO2)c(C(=O)OCC)c1C 17082010 CYATVUPKCRWZMH-NSHDSACASA-N 400.522 2.875 0 50 HFAA O=C(c1nn(CCc2ccccc2)c2c1CN(C1CCC1)CC2)N1CCC(O)CC1 20233820 NSEHRDMXBZLASZ-UHFFFAOYSA-N 408.546 2.633 0 50 HFAA CCOC(=O)[C@H]1CCCCN1Cc1cc(I)c(O)c(OC)c1 23281560 CLGCLSBAHPQTQA-CYBMUJFWSA-N 419.259 2.923 0 50 HFAA CN(CCc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77356793 UIULCWCOXWKEMM-JCUDRXCFSA-N 409.530 2.587 0 50 HFAA O=C(Cc1cccs1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770467 GGJXTNRIPWRRBR-UHFFFAOYSA-N 400.479 2.769 0 50 HFAA O=C(c1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 263619622 ZQMJQDBANLVEGK-JOCHJYFZSA-N 421.476 2.647 0 50 HFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 328594952 GPZUNFDMGAAZIL-DLBZAZTESA-N 408.424 2.933 0 50 HFAA COc1ccccc1C1=C/C(=C(/O)N=c2cc(C)[nH]n2[C@H]2CCS(=O)(=O)C2)N=N1 334159212 DTTVGTSYXYTZSS-JQICLJNNSA-N 415.475 2.628 0 50 HFAA Cc1ccc(SCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)cc1 426412869 ZTEBKIWZXRQJFQ-OAQYLSRUSA-N 411.571 2.902 0 50 HFAA O=C(c1cnc(O)cc1O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 426500041 CZZSVIHHNRBKQJ-QFIPXVFZSA-N 401.507 2.918 0 50 HFAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(OCc2ccccn2)c1 480693907 DNZOOLNQDADIGP-DOTOQJQBSA-N 405.458 2.614 0 50 HFAA Cc1ccc(N2CCCC2)c(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 756771788 ZPZYUGQRRYPLIG-UHFFFAOYSA-N 407.580 2.918 0 50 HFAA COc1ccc(-c2ccc(=O)n(CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)n2)cc1 888088904 WWSRANKRBDWPTI-UGKGYDQZSA-N 424.545 2.642 0 50 HFAA COc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3cc(CO)cs3)CC2)cc1 952989606 XSHTUMRNSHWCQD-VOTSOKGWSA-N 414.527 2.817 0 50 HFAA O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 1339803269 LGBBRDAEFZHWKG-NRFANRHFSA-N 405.502 2.668 0 50 HFAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCCC2(CCNCC2)C1 1704311120 YTUBZFMXXDLORS-UHFFFAOYSA-N 410.518 2.784 0 50 HFAA O=C(CCc1cc(Cl)no1)N[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccccc23)C1 1857679527 YBIZDWFRAGWUGD-NEPJUHHUSA-N 401.854 2.604 0 50 HFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 1857730470 QRMPBHLWJRAAMD-IBGZPJMESA-N 401.492 2.609 0 50 HFAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cccc3cccnc23)cc1OC 1875244297 GNLMRBQXFGJZOJ-UNMCSNQZSA-N 408.454 2.827 0 50 HFAA NCc1nc2ccc(NC(=O)C[C@H](CN)c3ccc(Br)s3)cc2[nH]1 2325861399 OSBRUBSYSKHUAD-SECBINFHSA-N 408.325 2.917 0 50 HFAA Cc1c(C(=O)N2C[C@H]3[C@@H](NC(=O)c4cncs4)CCC[C@H]3C2)sc2nccn12 2325875914 FPMAXTSDJBSMGB-MJBXVCDLSA-N 415.544 2.831 0 50 HFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 1050598 VTGHWZUHYAWLBY-AEFFLSMTSA-N 402.516 2.973 0 50 HFAA C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 3004794 MCWAOMOJDCWRTL-CYBMUJFWSA-N 411.321 2.947 0 50 HFAA COC(=O)c1ccccc1-n1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C 4623146 MRFDXHZXNHMGQV-UHFFFAOYSA-N 403.438 2.790 0 50 HFAA COC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)N[C@@H]1c1cc(C)ccc1C 8682919 JHDYRECMUOTJIX-OAQYLSRUSA-N 424.453 2.985 0 50 HFAA Cc1ccc(-c2cc(=O)[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 9698500 SMLMAOAGEKEOSL-UHFFFAOYSA-N 404.470 2.796 0 50 HFAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 12029704 FPRCEHMXBVMXQV-HNNXBMFYSA-N 417.941 2.594 0 50 HFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc(OC)c1 12195561 SYXSGFHPWXNFCF-KRWDZBQOSA-N 414.506 2.866 0 50 HFAA Cc1cccn2cc(CNC(=O)c3cn(CC(C)C)cc(C(=O)NC(C)C)c3=O)nc12 12338209 UJZHNPFYQPBQGZ-UHFFFAOYSA-N 423.517 2.529 0 50 HFAA CCN1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 12433866 FOOOMQOSADHZGM-HXUWFJFHSA-N 418.607 2.889 0 50 HFAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CN2CCOC2=O)C1 12704075 YBFYFHGAXHTWBZ-JOCHJYFZSA-N 402.491 2.633 0 50 HFAA COc1ccc(C(=O)NCCc2nnc(SCC(C)C)n2C)c(OC)c1OC 14981794 NCBTWYCYYONAHB-UHFFFAOYSA-N 408.524 2.562 0 50 HFAA CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N(C)CCCN(C)C)c1 14995373 XSTVZLYTZHMNJY-UHFFFAOYSA-N 418.582 2.591 0 50 HFAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2cc(C)c(C)[nH]c2=O)CC1 19228962 VXJSGWGFUQGOBX-QGZVFWFLSA-N 404.507 2.736 0 50 HFAA CCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c3cc(C)ccc3n2)cn1 63856221 SLXDNSILIOBRLM-HNNXBMFYSA-N 403.486 2.865 0 50 HFAA Cc1ccccc1[C@@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccncc1 95352859 QWTZPELLUASHMS-NRFANRHFSA-N 400.438 2.966 0 50 HFAA CCc1cnc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)o1 170598396 VIFVYEGDSGCGNV-OAHLLOKOSA-N 406.280 2.921 0 50 HFAA O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 252458383 DTPKIXMMRHOYNT-HUUCEWRRSA-N 402.436 2.835 0 50 HFAA Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)[C@H]1CCN(C)C1)C2 299784960 IXEYRMCJLNDPES-RTRPANQVSA-N 424.570 2.618 0 50 HFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC2(CCN(C)C2=O)CC1 445258071 HIQQNZFFTJJZQM-GFCCVEGCSA-N 400.445 2.637 0 50 HFAA COC(=O)C1(F)CCN(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 575447742 QWHLQWZETGNVET-UHFFFAOYSA-N 402.463 2.747 0 50 HFAA COCCCOCCC(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 952892260 GBOOHJAQHXNHCZ-OAQYLSRUSA-N 415.534 2.891 0 50 HFAA CN1CCN(C[C@@H]2CCCN(c3cc(Sc4cccs4)nc(N)n3)C2)CC1 1772701458 ORKRZZKNMKNKEK-HNNXBMFYSA-N 404.609 2.735 0 50 HFAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)Cc4ccsc4)C[C@]3(CN(C)C)C2)c(C)o1 1772707926 YHLAPBNDZPLAPG-XMSQKQJNSA-N 415.559 2.663 0 50 HFAA O=C(CCn1cc(Cl)cn1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857692554 KDYOYGVVNJHKQW-HXUWFJFHSA-N 401.898 2.806 0 50 HFAA O=C(c1ccnc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1)N1CCCC1 1857697479 AXKXSXUGNIFWHY-QHCPKHFHSA-N 406.486 2.571 0 50 HFAA COc1ccc(Cl)cc1Cc1noc(-c2cc(CNS(C)(=O)=O)oc2C)n1 1875260154 VKFPRLPESJOUCB-UHFFFAOYSA-N 411.867 2.940 0 50 HFAA COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1S(N)(=O)=O 2325736296 FUOPHKUVOWBFQK-UHFFFAOYSA-N 408.907 2.734 0 50 HFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C1)CC2 2356154517 YQIASSPOJPPIGQ-HSZRJFAPSA-N 404.470 2.769 0 50 HFAA COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 1164910 PBZVBNYXTOWREK-UHFFFAOYSA-N 410.879 2.622 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1)c1ccccc1 1204912 USTLVBOTJNQINT-PMACEKPBSA-N 402.516 2.686 0 50 HFAA COc1ccc(OC)c(N2C(=S)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4192353 BKQBTEWJKJIGSS-QZTJIDSGSA-N 418.540 2.789 0 50 HFAA Cc1ccc(CN2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)o1 12041636 MIUVPSWAZHZUKH-QGZVFWFLSA-N 409.486 2.685 0 50 HFAA CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C 12410792 KUESKSPAKKCABT-UHFFFAOYSA-N 421.375 2.647 0 50 HFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)Cc1cnc2ncnn2c1 12454886 CICKYALEJHFGNT-SFHVURJKSA-N 415.501 2.991 0 50 HFAA Cc1nc([C@@H](C)NC(=O)CCCn2nnnc2CN2CCC(C)CC2)c(C)s1 12456203 NDIFOPNLULGNNS-CQSZACIVSA-N 405.572 2.636 0 50 HFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccc(OC)c1OC)C2 14754025 HUAGPPUSDVEAHO-QGZVFWFLSA-N 412.534 2.803 0 50 HFAA O=S(=O)(CC1CC1)c1ncc(CN2CCC[C@H](CO)C2)n1CC1CCCCC1 15068945 FFHDIMGLXAZRKX-IBGZPJMESA-N 409.596 2.851 0 50 HFAA O=C(C1CC1)N1CCC(Oc2ccc(C(=O)N3CCCC[C@H]3CCO)cc2)CC1 15076827 AHANQRRHQAJXFK-IBGZPJMESA-N 400.519 2.844 0 50 HFAA CCC(=O)N(CCN(C)C)Cc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C 20295475 SRNYGBADXCMVOH-UHFFFAOYSA-N 418.538 2.627 0 50 HFAA CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1F 67629391 PIDCPXQKJMOVAJ-QGZVFWFLSA-N 406.479 2.701 0 50 HFAA O=C(Cn1ncnn1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67880897 YUNTZHBDJKGZEH-UHFFFAOYSA-N 407.455 2.682 0 50 HFAA CCc1cc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)on1 82097862 FKVYKMIAUPZMLZ-LJQANCHMSA-N 411.550 2.625 0 50 HFAA COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(F)c1 104368727 CIQNPFUEESQFMS-GOSISDBHSA-N 404.482 2.617 0 50 HFAA O=C1N[C@H](c2ccc(C(=O)O)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 245242216 KBZBEKGQOGPORY-HSMVNMDESA-N 414.361 2.550 0 50 HFAA COc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3n(C)c2=O)c1 253415050 ZLIUBWVQMCHAJV-UHFFFAOYSA-N 404.470 2.646 0 50 HFAA NC(=O)[C@H](c1cccc(Br)c1)N1CCc2c(sc3ncnc(N)c23)C1 1473346610 OMNVQSOGJYDFQN-AWEZNQCLSA-N 418.320 2.621 0 50 HFAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 1506414109 OHVCZZJMMRQXHA-AWEZNQCLSA-N 408.495 2.767 0 50 HFAA Cn1ncnc1CCNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857701407 USZYEVWHHZTUOI-ZDUSSCGKSA-N 402.886 2.575 0 50 HFAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1Br 645945 SQAXRZGAYPXCBU-UHFFFAOYSA-N 411.321 2.969 0 50 HFAA CCn1cc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C)C3)cn1 2781984 VYDOXSAULVNCQU-ZDUSSCGKSA-N 402.520 2.814 0 50 HFAA C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCC1 2853484 VUIQDYAPONCDPS-LBPRGKRZSA-N 403.342 2.955 0 50 HFAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)N(C)Cc4nccn4C)C3)nc(C)c2c1 12150876 VBGLEODQSFAOHH-QGZVFWFLSA-N 422.533 2.945 0 50 HFAA Cc1ccc(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)o1 14755801 NKPMNNGIZHMFMG-QGZVFWFLSA-N 408.502 2.826 0 50 HFAA Cc1ccc(OC(=O)NCCOC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 22342972 LAZXTBMVARKCQU-UHFFFAOYSA-N 412.851 2.852 0 50 HFAA biogenic O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NC[C@@H]1CCCOC1 170649002 LQZZHSPMXBCECF-INIZCTEOSA-N 406.479 2.712 0 50 HFAA NC(=O)c1noc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)n1 225681597 OTSAAJPVSYACKW-AWEZNQCLSA-N 404.858 2.791 0 50 HFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@H]4[C@@H]3C2=O)cc1 245325631 GRQHNJFGNPBKRZ-TUFLPTIASA-N 402.450 2.724 0 50 HFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)CC1 252679127 IGERRMFEHWOOLW-HAQNSBGRSA-N 420.395 2.979 0 50 HFAA C/C=C(\C)CN1CCc2c(C(=O)NCc3ccsc3)c(OC)cc(=O)n2CC1 299755295 GACNYZXLMCLZME-SYZQJQIISA-N 401.532 2.673 0 50 HFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cc3ccccc3o1)CC2 299756928 KDMCHWAXJLVVNI-UHFFFAOYSA-N 421.497 2.897 0 50 HFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 783938654 IJMQZJHZNMNOIM-USXIJHARSA-N 402.495 2.943 0 50 HFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(=O)CCCn1cncn1)CC2 824619858 VACZFMOXLOSNBR-QFIPXVFZSA-N 407.474 2.645 0 50 HFAA O=C(CCC(F)(F)F)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 827921410 SXJMCGHKBPXLSI-OWCLPIDISA-N 400.441 2.761 0 50 HFAA CCc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(Cl)cc3OC)C2)n[nH]1 952962714 CMIJCLMRAOPUJI-CYBMUJFWSA-N 404.898 2.916 0 50 HFAA COCCn1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1=O 1318242348 LKSNCIJWCVWIRQ-UHFFFAOYSA-N 406.364 2.952 0 50 HFAA COc1ccc2cc([C@H](C(=O)O)N3CCC(CN4CCN(C)CC4)CC3)ccc2c1 1506398262 JWHZVNLRBYRMPE-HSZRJFAPSA-N 411.546 2.934 0 50 HFAA Cn1c(CO)nnc1[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704308315 HHAUMTIUBZPKGD-GFCCVEGCSA-N 417.853 2.698 0 50 HFAA CCC[C@@]1(CO)CN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)CC[C@@H]1O 1857733001 QEERSHFRXKHQBM-UNMCSNQZSA-N 405.535 2.888 0 50 HFAA N=c1ccc(C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)c[nH]1 1940195477 GGAIMHOZYKGFNL-UHFFFAOYSA-N 401.470 2.777 0 50 HFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)c(OC)c2)c1 909938 WEUKNOGVFXDRJE-IBGZPJMESA-N 413.430 2.685 0 50 HFAA COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3nnnn32)c1 950936 QWARCOGAPHHYPP-LJQANCHMSA-N 407.430 2.723 0 50 HFAA biogenic C/C=C(\C)CN1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 12024261 MFXMSMAHIGEVND-NXCBTGFGSA-N 412.534 2.686 0 50 HFAA Cc1cnc(CNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)cn1 12051366 IMQUJJZIFWMHIX-HSZRJFAPSA-N 406.530 2.947 0 50 HFAA CC(C)=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 12245617 UDOUZIZIPVYVDW-IBGZPJMESA-N 410.566 2.886 0 50 HFAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)c1OC 12432584 IMWZCDSYKVSTTH-JOCHJYFZSA-N 417.469 2.951 0 50 HFAA CCN1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 13681115 DIRWYJSPPNKVDM-UHFFFAOYSA-N 401.532 2.882 0 50 HFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(C)n1)C2 14742506 XWYYBLMANXOJCA-QGZVFWFLSA-N 413.591 2.833 0 50 HFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 14747829 BRSAUPUOHYBGQB-UHFFFAOYSA-N 421.545 2.515 0 50 HFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccc(Cl)s1)C2 19720672 HFCMLMCCMXHQKS-AWEZNQCLSA-N 421.998 2.653 0 50 HFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C/C=C/c3ccco3)CC2)CC1 20205740 GATWWPKZGWLXPQ-IAMMWUAXSA-N 401.551 2.764 0 50 HFAA Cn1cc(CCNC(=O)CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cn1 39515580 XRPSIDFOQBIWPE-QFIPXVFZSA-N 408.477 2.854 0 50 HFAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)ccn1 77425008 MZWVGZIJXAHJIX-MTQWNXOMSA-N 417.509 2.952 0 50 HFAA CC(=O)NCc1cc2n(n1)CCN(Cc1c(-c3ccccc3)nc3ccccn13)C2 426537442 HGWWNRGSIWOFMU-UHFFFAOYSA-N 400.486 2.850 0 50 HFAA Cc1noc(-c2ccccc2)c1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 472026739 VZOGVVZEFYEQAW-UHFFFAOYSA-N 416.437 2.660 0 50 HFAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc(-c2ccccc2)no1 670441046 QFZJBZJDRPNJSD-UXVFNKRRSA-N 414.509 2.639 0 50 HFAA C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(-n2ccc(C(N)=O)n2)c1 1875262764 IQRKXMFEVIBFSE-ORAYPTAESA-N 411.437 2.744 0 50 HFAA CC[C@H]1CN(C/C=C/CN2C[C@@H](CC)O[C@@]3(CCCOC3)C2)C[C@]2(CCCOC2)O1 2325742634 CEXGUVBNEWQHSY-SRTSAXEJSA-N 422.610 2.863 0 50 HFAA COc1ccc(-c2onc(NCCc3noc([C@@H]4CCCO4)n3)c2C(=O)O)cc1 2356159155 OHIBMCWSBDWDLG-ZDUSSCGKSA-N 400.391 2.938 0 50 HFAA