smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)cc2F)C[C@@H](C)O1 1141900947 AEFRCYAUJLPFCL-MGPQQGTHSA-N 419.461 0.247 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC3(F)F)CC2)cc1 1300443155 DAOJBRRYRZBKLM-HNNXBMFYSA-N 403.451 0.918 10 10 HCCE CCCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1468853128 KCINUDFXRIRQBY-ZBFHGGJFSA-N 401.506 0.898 10 10 HCCE O=C(Cn1nc2ccccn2c1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1583379524 VLCGZRUDAJMOGD-UHFFFAOYSA-N 403.389 0.927 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1643244983 IAZAJZAYQYFTNT-OHDICMOHSA-N 416.430 0.446 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3nnnn3C)cc2F)C[C@@H](C)O1 1660503256 FCEFLISVALWFET-MGPQQGTHSA-N 405.478 0.930 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@H]34)nc12 800251743 CEPWSDMPKZNXLP-IFUKTHAHSA-N 409.398 0.982 10 10 HCCE COC(=O)[C@@H]1C[C@@H](O)CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1307906004 UUQMXSYUFWLDGD-BHIYHBOVSA-N 407.511 0.034 10 10 HCCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1558174998 XGQIWLYBYPQUDK-FVQBIDKESA-N 410.492 0.824 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCC[C@H]3C=NNC3=O)CC2)cc1 1630632282 RUIJFBKBAPHJHH-QWGSZXSUSA-N 413.478 0.528 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028674 XSLJVAAXQJVJBE-BLLLJJGKSA-N 400.435 0.818 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 732922887 DBGYCEJQVCQGAO-IRXDYDNUSA-N 412.556 0.761 10 10 HCCE CS[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799057 LSGNZTZTLPQTEA-XJKSGUPXSA-N 401.554 0.833 10 10 HCCE CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1253511589 MNMPIATUERVIRV-GOSISDBHSA-N 410.540 0.871 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1631426199 ZOBZRBVNBRJDCR-CQSZACIVSA-N 404.920 0.522 10 10 HCCE COc1nn(C)cc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687007164 YTHBRSCTNBSMND-UHFFFAOYSA-N 407.496 0.663 10 10 HCCE O=C(CNC(=O)c1ccccn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 739700560 SCAVCBSFFVGGJJ-UHFFFAOYSA-N 402.476 0.363 10 10 HCCE O=C(CN1CCC(c2nc(O)n[nH]2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 808755735 VYKBONURQVZZPX-UHFFFAOYSA-N 418.473 0.982 10 10 HCCE COc1ccc(N2CCN(CC(=O)NC3CCN(C(C)=O)CC3)CC2)c(OC)c1 1175513072 PCCIHNYSUBHLMP-UHFFFAOYSA-N 404.511 0.953 10 10 HCCE CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1312954038 RHWFJCOVYXKJKQ-MRXNPFEDSA-N 423.539 0.221 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 1350933560 PCZWYLGYYYOWSZ-HNNXBMFYSA-N 407.442 0.690 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCCC3)cc2)CC1 1471190157 DQKZPEFBJHBLMM-UHFFFAOYSA-N 409.556 0.663 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)cc1 1673826189 JXNFGIKBUBYXAT-GDBMZVCRSA-N 409.512 0.065 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H](OCCO)C1 1683731751 WTOSXYMKBFYMKE-GOSISDBHSA-N 411.524 0.604 10 10 HCCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccc(N6CCS(=O)(=O)CC6)cc5)[C@H]1[C@H]3[C@@H]42 800436857 MQOJCYRGZMYMTQ-PYBGBSNKSA-N 412.511 0.865 10 10 HCCE Cn1cnc2c1c(=O)n(CC(=O)NCc1cc(Br)ccc1O)c(=O)n2C 804738703 ANBZONXOJXUPPA-UHFFFAOYSA-N 422.239 0.218 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(C(N)=O)CC3)cc2F)C[C@@H](C)O1 1307761685 KGYPVMNLJJROES-GASCZTMLSA-N 422.501 0.368 10 10 HCCE CCO[C@@H](CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)CN(C)C 1455564239 ZDIAEIDDKGLGMH-CFGKVWFZSA-N 418.538 0.983 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1 1570375573 JCTJSHJALGLYFQ-UHFFFAOYSA-N 402.494 0.947 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1643347326 WQQCGDAZUNPNSZ-GJZGRUSLSA-N 421.523 0.738 10 10 HCCE [N-]=[N+]=NCCCN(CC(=O)O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2086865218 XBVZMVJKRXZYIG-CYBMUJFWSA-N 414.378 0.679 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4[C@H]3CCCN4CCO)CC2)cc1 1176807768 ALAQBISCXQPMPT-MDNUFGMLSA-N 418.582 0.709 10 10 HCCE CCn1nncc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1531666307 SDROLRMXMBIXPW-UHFFFAOYSA-N 422.511 0.188 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032969 OVRCUSKOWYHEOF-OAHLLOKOSA-N 402.451 0.929 10 10 HCCE Cn1cnc2c1c(=O)n(CCCOC(=O)/C=C/c1ccc(O)c(O)c1)c(=O)n2C 772769414 OLKKTIUPVWAOBY-FNORWQNLSA-N 400.391 0.492 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1567306481 QIEAYXBRVBFQRQ-ZFWWWQNUSA-N 416.434 0.475 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)N(CCO)C[C@H]3C)CC2)cc1 1653938891 YKNFCMMDCALZTP-ZVDOUQERSA-N 406.571 0.565 10 10 HCCE CS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1471368645 CBTKQMMZTQDEMB-KRWDZBQOSA-N 408.524 0.717 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cccnc2)N(C)C)cc1 1558723657 UBEJLEIRKNLJCM-SFHVURJKSA-N 405.524 0.845 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2CCNC(=O)C2)NC(=O)OC(C)(C)C)cc1 1618253588 OVLABCURPSWSMQ-KRWDZBQOSA-N 419.526 0.866 10 10 HCCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)cc1 1631277416 SALKLQLGIBQWMU-UHFFFAOYSA-N 404.492 0.905 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CC(=O)N(C2CC2)C1 1633575568 XANPHXQEHWORBW-INIZCTEOSA-N 420.535 0.732 10 10 HCCE CCN1CCN(CCC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 732923604 FMPYLVYAKZCFNX-UHFFFAOYSA-N 403.571 0.961 10 10 HCCE COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)cc1F 753738332 OOPJLOAMQWBGPR-UHFFFAOYSA-N 400.414 0.627 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)cc1 1195926757 ANOIOESGVILNDE-SLYNCCJLSA-N 402.539 0.779 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 1510677022 ZLZWMHGFVPOAHY-NVXWUHKLSA-N 411.510 0.964 10 10 HCCE CCc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1546557623 WQNBSGHGASVNLE-UHFFFAOYSA-N 405.524 0.960 10 10 HCCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 1565573522 AQQZXIPJEMQIOK-UHFFFAOYSA-N 421.461 0.878 10 10 HCCE COc1ccc(N2CCCN(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)cc1 1233945085 PSTOOMSSMUQEQJ-UHFFFAOYSA-N 411.528 0.408 10 10 HCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471912779 XZUOBWJRFLBBSU-UHFFFAOYSA-N 419.507 0.540 10 10 HCCE Cn1cc([C@H](O)CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1478945711 WGLYPFCRWLOECB-QGZVFWFLSA-N 407.496 0.188 10 10 HCCE COCCOCCN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1479185429 JROGPPQPRPIXHS-UHFFFAOYSA-N 419.570 0.929 10 10 HCCE COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@](O)(C(=O)O)[C@](O)(CO)C2 4098922 PGFBYAIGHPJFFJ-PWIZWCRZSA-N 422.386 0.048 10 10 HCCE biogenic,in-vitro CCS(=O)(=O)CCCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1142233038 BTWYZGWJXYLXDH-MDZDMXLPSA-N 423.535 0.841 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CO)CN3CCCC3)CC2)cc1 1556855190 UFYLEIQRFHDCLP-GFOMBABLSA-N 416.522 0.473 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 1628469269 VRZIMTPXQRBQRS-UHFFFAOYSA-N 424.479 0.260 10 10 HCCE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1675580256 KKQQRHTZPACQEA-MJGOQNOKSA-N 419.526 0.687 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@@H](CO)[C@H](CCO)C1 1687006991 SPTBUCDUUCEUGC-SJORKVTESA-N 411.524 0.054 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(C(=O)C(C)C)CC3)CC2)cc1 753996935 XURXOJQRDBINKS-FQEVSTJZSA-N 404.555 0.978 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](C(=O)C4CC4)C3)CC2)cc1 801542456 FBBBEUZQUAQIHK-PZJWPPBQSA-N 403.523 0.858 10 10 HCCE [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCC(=O)O 888087273 ZDNHXMIKSZWHGA-UHFFFAOYSA-N 423.463 0.888 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCN(C=O)CC3)CC2)cc1 1136347476 YECZWUOJAGBQNX-FPLPWBNLSA-N 400.479 0.591 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@]12CCOC2=O 1230798932 LBGFJCDAQKOZET-LJQANCHMSA-N 407.492 0.913 10 10 HCCE CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1251207906 CIEMUEKRZDGZPF-AWEZNQCLSA-N 414.528 0.863 10 10 HCCE CCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1267905686 MLOWJABSSXPUTD-UHFFFAOYSA-N 415.512 0.643 10 10 HCCE COc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c(O)c1 1617752669 HBYQIBGPSXDMQJ-MRXNPFEDSA-N 403.410 0.759 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]4CCNC(=O)[C@H]43)CC2)cc1 1659922399 WIBNRJVRUHUECY-CUWPLCDZSA-N 402.539 0.779 10 10 HCCE O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]2CCCC[C@H]2N1 1683731333 OUGJAHWADNQXFB-MSOLQXFVSA-N 420.535 0.874 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)nn2)O1 1167762148 HZWSTKMRPOSOCM-INIZCTEOSA-N 400.439 0.278 10 10 HCCE CCOC[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1230799059 LSUIXQSGSPJYMI-SFHVURJKSA-N 411.524 0.868 10 10 HCCE CCOc1ccc(N2CCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 1566562376 HZOYHXGWEVYARK-MRXNPFEDSA-N 400.439 0.748 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1683425103 MPQOGXJKRMBTEC-CRAIPNDOSA-N 412.556 0.952 10 10 HCCE CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCN2C1=O 757634132 HRYSUAKTWHAGPU-QGZVFWFLSA-N 419.457 0.840 10 10 HCCE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCS(=O)(=O)N(C)C 1612536665 JDFRCYIELRDYJH-UHFFFAOYSA-N 422.555 0.951 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncccc3O)CC2)cc1 1628747292 HTEVYOOVGRVSES-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1646221506 RGPZMZMPSOACME-MJEZEWASSA-N 409.502 0.731 10 10 HCCE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1303455765 FMSHUIYGEVCIRN-TZMCWYRMSA-N 400.453 0.994 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)S(=O)(=O)CCO1 1630737915 FQUVVJNFULNMSG-HNNXBMFYSA-N 407.492 0.681 10 10 HCCE NC(=O)CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1643375544 VHDMXMOQQXSZPD-UHFFFAOYSA-N 420.425 0.030 10 10 HCCE CN(C)S(=O)(=O)NCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1681318107 MWLRNZAIGNHHLB-OAHLLOKOSA-N 400.501 0.479 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)C[C@@H]3CCC[C@H]3O)CC2)cc1 803749228 FVNJWOSHFLDENW-FXAWDEMLSA-N 418.538 0.553 10 10 HCCE COC(OC)C(=O)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1256236658 JMPBUIYLFDNHMW-SFHVURJKSA-N 421.542 0.828 10 10 HCCE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 1297868738 JUWQARVYCSJLIC-CQSZACIVSA-N 421.479 0.532 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2F)CC1 1456129429 NEMDPXVXSBIDFH-UHFFFAOYSA-N 417.489 0.776 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 1585653882 JIPLHFAIPTZSBN-GUDVDZBRSA-N 423.535 0.831 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCCS(=O)(=O)CC1 1687007125 YBQUUAKLSMHALP-UHFFFAOYSA-N 415.537 0.252 10 10 HCCE CS(=O)(=O)Cc1n[nH]c(CNC(=O)NCc2cccc(Br)c2O)n1 1687716261 KZHASDCNZVDLGQ-UHFFFAOYSA-N 418.273 0.817 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H](CO)OC(C)(C)C3)CC2)cc1 1299626945 ICSPTBNYXJWLEP-SGQUHAKNSA-N 417.506 0.898 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)C[C@H]1CCCO1 1478945310 PKDSTUBIPQNDGD-SJLPKXTDSA-N 411.524 0.651 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C(=O)OC 1478958143 WPVWJQSUJSTDNG-IAOVAPTHSA-N 405.451 0.878 10 10 HCCE C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1565363829 ZDUJTGHYZYRXSL-CQSZACIVSA-N 410.540 0.963 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CC3(F)F)CC2)cc1 1300443168 DAOJBRRYRZBKLM-OAHLLOKOSA-N 403.451 0.918 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc[n+]([O-])c3)CC2)cc1 1300445035 SFVSXIDMGQDHCB-UHFFFAOYSA-N 420.491 0.210 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nnn(C)c3C)CC2)cc1 1437448692 CNVVKJLQLFTFJV-UHFFFAOYSA-N 422.511 0.014 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)c1cccnc1 1585535996 LVYPREPWOQHMSJ-UHFFFAOYSA-N 418.519 0.980 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCS(=O)(=O)CCO3)CC2)cc1 1607733098 YFXHRRAAHHYBME-VOTSOKGWSA-N 423.491 0.089 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(-c4cnn(C)c4)c3C)cc2)CC1 1634075050 ZORPQEPNFYIBCV-UHFFFAOYSA-N 422.493 0.908 10 10 HCCE COCCN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1676125655 KGOIXGMGSCOPEW-UHFFFAOYSA-N 403.527 0.862 10 10 HCCE C[C@@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C)CC1 1683734196 HDIROHBDKGRGSW-KRWDZBQOSA-N 423.583 0.357 10 10 HCCE COC(=O)/C=C/c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 105773349 XDJQIMOHDBAWEL-HWKANZROSA-N 418.450 0.762 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)cc2)CC1 1558397416 NSZQOPQMSRLUIM-RBUKOAKNSA-N 424.505 0.434 10 10 HCCE CO[C@@]1(CNC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)CCS(=O)(=O)C1 1598273255 PLHNDSVHIRWJDI-QGZVFWFLSA-N 412.489 0.325 10 10 HCCE CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1608552032 PRZQZJOJYDGYNQ-UHFFFAOYSA-N 417.489 0.948 10 10 HCCE CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1634213290 GOJSKCAYLXBOMT-UHFFFAOYSA-N 413.544 0.279 10 10 HCCE O=C(NCc1cccc(Br)c1O)NC[C@]12COCCN1C(=O)COC2 1684745889 IIKWHKWRIHZOFQ-MRXNPFEDSA-N 414.256 0.582 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)C2)cc1 1687025604 SLDAUUQPLRICEO-GFCCVEGCSA-N 408.484 0.436 10 10 HCCE CCN1C[C@@H](CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1165357721 XBOOITASBLFWPG-XZVRFQMRSA-N 414.506 0.885 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CN3CCCCC(=O)C3=O)CC2)cc1 1292282062 JJNJITQKWUWBGN-UHFFFAOYSA-N 402.495 0.515 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCN1CCCS1(=O)=O 1446818086 VCCIYBDBJIWIEF-UHFFFAOYSA-N 404.872 0.973 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 758416378 ZAGDAHGNXUNFJO-IBGZPJMESA-N 403.527 0.543 10 10 HCCE Cn1cc(S(=O)(=O)NCc2cc(Br)ccc2O)c(=O)n(C)c1=O 796190983 OKWJCDKUPXJFEN-UHFFFAOYSA-N 404.242 0.031 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CN(C2CCOCC2)C1 1300544033 AZZDZUKQEMURJF-UHFFFAOYSA-N 407.536 0.648 10 10 HCCE CCn1ncn(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1468547455 LYQVFYDYTILURD-HJWRWDBZSA-N 400.439 0.048 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1558723282 LYLIXTMUULMHAB-GOSISDBHSA-N 411.572 0.648 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cn(C)cn2)N(C)C)cc1 1603556327 YRZMYOWZSATXNZ-INIZCTEOSA-N 408.528 0.184 10 10 HCCE COc1cc(N2CCN(CC(=O)N=[S@](C)(=O)N(C)C)CC2)cc(OC)c1OC 1645222989 AMYSBKAIQRZKGR-NDEPHWFRSA-N 414.528 0.935 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cn(CCOCCO)c(=O)cc3O)CC2)cc1 1870120129 RHXAAVHKZADSQM-UHFFFAOYSA-N 417.462 0.534 10 10 HCCE CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1C 751229568 YPLPBKNDYBCJHW-UHFFFAOYSA-N 424.498 0.963 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3cn(C(F)(F)CO)nn3)cc2)CC1 1178039459 VDJNVJIFDICTQM-UHFFFAOYSA-N 408.409 0.451 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)N(C)C)cc1 1313166004 DKTWMWIFFHAANQ-RXVVDRJESA-N 419.526 0.282 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(N4CC[C@H](O)C4)CC3)CC2)cc1 1620437138 RFZVLRCILCLUAL-FCHUYYIVSA-N 418.582 0.709 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=C(C)N(C)c4nnnn4C3)cc2)CC1 1625199275 TYWMMQIKLPACAE-UHFFFAOYSA-N 410.482 0.382 10 10 HCCE C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C 1636796951 VFADXZGTKDIQJS-KKUMJFAQSA-N 408.524 0.728 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCNC(C)=O)[C@@H]2c1ccc(O)c(O)c1 1864009377 GHQPSAQKRZMPEY-MRXNPFEDSA-N 415.450 0.570 10 10 HCCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1865028459 VKXRNWZUDUNNEO-MRXNPFEDSA-N 416.434 0.856 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 787044930 WXZRBQFXAVORJM-GJZGRUSLSA-N 406.483 0.779 10 10 HCCE CC(C)(C(N)=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1313065440 RHBZLQIALQZEOY-UHFFFAOYSA-N 403.527 0.739 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)CC1 1313211484 GFXRDHQRZIODJA-UHFFFAOYSA-N 402.543 0.354 10 10 HCCE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470752701 JHBPTMBBPILLRA-SJORKVTESA-N 424.567 0.518 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1539302411 QOCFLAVIKIFVNG-UHFFFAOYSA-N 418.519 1.000 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CCn2cc(C(N)=O)c(O)nc2=O)cc1 1164597359 KSSHCZUWUDQGBI-UHFFFAOYSA-N 403.439 0.041 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)cc1 1230857970 GRBJINZQPMZYHO-AWEZNQCLSA-N 411.466 0.557 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)cc1 1478859410 DDHUEFOTTPRXNY-OAHLLOKOSA-N 411.524 0.760 10 10 HCCE Cn1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2=O)cn1 1537840024 UKPFEPWTXBJBEY-KRWDZBQOSA-N 424.505 0.791 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cnc(C)o3)CC2)cc1 1616831488 DUKGLZVJKHDBHW-UHFFFAOYSA-N 422.507 0.802 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)c(OC)c1 1635792348 RNFAZXAUKKUTRA-UHFFFAOYSA-N 400.501 0.427 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCNC(=O)c3cc[nH]n3)CC2)c(OC)c1 1685860893 CTZMFQQFEHSYPA-UHFFFAOYSA-N 402.455 0.689 10 10 HCCE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(C)n3)CC2)cc1 1869969044 BJJMYDZSFPIFFV-UHFFFAOYSA-N 401.471 0.615 10 10 HCCE C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 918642991 HINOOOGBDIHSLC-LPHOPBHVSA-N 423.560 0.992 10 10 HCCE NC(=O)C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479343456 HXEQSMIJARKIPP-KRWDZBQOSA-N 403.483 0.174 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H](C)n2nnnc2N1C 1544929548 GFUPDBZDMRCZJU-GOEBONIOSA-N 424.509 0.976 10 10 HCCE NS(=O)(=O)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)co1 1556946373 HCSFZGPJNKSKPD-UHFFFAOYSA-N 401.391 0.972 10 10 HCCE Cc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1612614109 IBPQWCJNBNPIQL-UHFFFAOYSA-N 409.487 0.845 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C(C)=O)C[C@@H]3C)CC2)cc1 778371373 PYZHBIOZIZCODO-JJEJIETFSA-N 414.506 0.979 10 10 HCCE CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 789827712 UWCIKHGUPHZHEU-VGJUNWBESA-N 413.515 0.940 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCCOCCS(N)(=O)=O)C2)cc1 1312834221 SNSRGFDCPIPSHW-CQSZACIVSA-N 400.501 0.126 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1439960011 JFUSQGPIFCHMHS-OALUTQOASA-N 403.527 0.599 10 10 HCCE CC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1565043882 GQJAJMBBTDFZIJ-GOSISDBHSA-N 422.551 0.979 10 10 HCCE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1566401568 KMXWPCYRUVRPDN-AWEZNQCLSA-N 400.453 0.946 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 1617255121 FXNBURRVQDGUEC-HNNXBMFYSA-N 402.476 0.888 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)cc2)CC1 1671095468 SEULDUCXLRTFCX-RTBURBONSA-N 403.527 0.873 10 10 HCCE COCCN1C(=O)C(=Cc2c(NCCO)nc3ccccn3c2=O)SC1=S 2053497203 ZPWTVMDBBYRHCC-UHFFFAOYSA-N 406.489 0.946 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2c(O)ncnc2cn1 778525383 MCCLWLPTGMUZRF-UHFFFAOYSA-N 413.459 0.895 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN([S@@](C)(=N)=O)CC3)CC2)cc1 1644421113 AZTVESZYFCDOCH-KWMCUTETSA-N 411.572 0.387 10 10 HCCE CO[C@@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCOC1 1674276438 FVCJJAJYPXXWCF-WMZOPIPTSA-N 411.524 0.772 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 1679553023 ZSXULKRQIKYSNW-MRXNPFEDSA-N 408.524 0.765 10 10 HCCE CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865719591 ZVQYCODXTVZLNS-ZDUSSCGKSA-N 416.434 0.106 10 10 HCCE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918893354 GQTOSZSAYYPUQS-SFHVURJKSA-N 407.442 0.833 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1298363289 BQCVKPCSUUXGPL-INIZCTEOSA-N 401.467 0.983 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](N4CCOC4=O)C3)CC2)cc1 1460357988 WFINNCBEHALLGK-MOPGFXCFSA-N 404.511 0.705 10 10 HCCE COC[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCO1 1478545309 GAOABOMMAPOLDS-ZWKOTPCHSA-N 411.524 0.915 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3S(N)(=O)=O)cc2F)C[C@@H](C)O1 1542113500 ZXEGLYDJSLHJMB-PHIMTYICSA-N 411.459 0.740 10 10 HCCE CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1COCC12OCCO2 1637766868 RKIROACHHPYLFU-HNNXBMFYSA-N 414.480 0.909 10 10 HCCE CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1682986776 OEBSNSKBMUFTKX-UHFFFAOYSA-N 405.543 0.809 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1686857006 ZCEKHZXASJRXAY-DOTOQJQBSA-N 405.499 0.861 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 2182634365 LDRFDHCYGNYALP-HUUCEWRRSA-N 401.485 0.547 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CCn3cc(C(N)=O)c(O)nc3=O)C2)cc1 1299771061 YNZYDRDPDDCIAZ-CYBMUJFWSA-N 415.450 0.089 10 10 HCCE C[C@]1(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)N1 1526259978 PJRFVGXWCKHMAB-HNAYVOBHSA-N 408.524 0.476 10 10 HCCE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1C 1639728388 RHTCFESKFPBPMU-GZTJUZNOSA-N 408.501 0.997 10 10 HCCE O=C(NCCN1CCC2(C1)OCCO2)NCc1ccc(N2CCC(O)CC2)cc1 1684277924 AJQASVLKSYZBDR-UHFFFAOYSA-N 404.511 0.896 10 10 HCCE COCCn1nc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)ccc1=O 742926801 AWBJMVFGDVRAQR-UHFFFAOYSA-N 415.494 0.450 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@H]4[C@H]75)nc12 800251751 CEPWSDMPKZNXLP-QPLYKONNSA-N 409.398 0.982 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)c3cccc(C(N)=O)c3)CC2)cc1 1116055092 FVODWYFSIZROPQ-UHFFFAOYSA-N 418.519 0.895 10 10 HCCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N(C)Cc1nnc2n1CCC2 1297323333 SWAVCCGGGHASPR-LJQANCHMSA-N 401.467 0.977 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)N(CCO)[C@H](C)C3)CC2)cc1 1473479672 WFRDUCFFFJNZHS-ZVDOUQERSA-N 406.571 0.565 10 10 HCCE CS(=O)(=O)C1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1634944321 BTGXHVVAICUFIJ-UHFFFAOYSA-N 415.537 0.298 10 10 HCCE CN(C)C(=O)CN1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1638917939 ODQFFQRJKKXZJR-LJQANCHMSA-N 404.559 0.771 10 10 HCCE CCON(C)C(=O)CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640760971 XNHKUBRMVBHPNI-MDZDMXLPSA-N 404.467 0.426 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 782051776 DDCSWTHOFPYTPE-UHFFFAOYSA-N 417.509 0.450 10 10 HCCE CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)ccc1O 790407784 QSBWIQGDLWHZOE-UHFFFAOYSA-N 416.481 0.141 10 10 HCCE COCCN1C(=O)c2ccc(C(=O)NCc3c(O)cccc3O)cc2S1(=O)=O 1304050271 KVKYVSBYAXDPRG-UHFFFAOYSA-N 406.416 0.819 10 10 HCCE O=C(CN(CCO)CCOCCO)Nc1cccc2c1C(=O)c1ccccc1C2=O 1307829107 KEZRAFQFDQRFKD-UHFFFAOYSA-N 412.442 0.704 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cn(C)nc3OC)CC2)cc1 1456990660 FIVYRWYGYPESLF-CMDGGOBGSA-N 413.478 0.959 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC3CSC3)CC2)cc1 1470729109 GEMMLLJBZZUWRF-UHFFFAOYSA-N 414.553 0.562 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1644085421 AWKCQXBVIUGJPO-JFIYKMOQSA-N 408.518 0.664 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cc1 746173924 HFIHYGFIYXHYRZ-UHFFFAOYSA-N 403.483 0.264 10 10 HCCE CC(=O)NC[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1229781796 PRBZFTSMWVACIV-HNNXBMFYSA-N 412.437 0.848 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)cc2)CC1 1248575926 QUQUBVMAIBFFQH-QRQLOZEOSA-N 402.495 0.991 10 10 HCCE CNS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1618841070 XZZGZPRZKWZAAH-UHFFFAOYSA-N 408.528 0.861 10 10 HCCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035192 NVIATYZJANKGJT-HNNXBMFYSA-N 400.435 0.774 10 10 HCCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NN1CCN(C)CC1 17090559 GFAMMCQGBRBFHZ-QGOAFFKASA-N 416.438 0.887 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 728740493 CFOTWQHQIILOKZ-IBGZPJMESA-N 420.510 0.791 10 10 HCCE Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1=O 768543445 JRMYACRPZSDSHN-UHFFFAOYSA-N 411.506 0.395 10 10 HCCE CNC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1197758082 FCZCSSMDTYLMCN-INIZCTEOSA-N 407.490 0.672 10 10 HCCE CO[C@@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS(=O)(=O)C1 1253509785 CITJWVROXDKSHM-LJQANCHMSA-N 411.524 0.651 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1303993737 DKWLDDHFRHLLQW-MRXNPFEDSA-N 402.476 0.881 10 10 HCCE CONC(=O)C1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1478944391 AERVXLRQTLETDJ-UHFFFAOYSA-N 424.523 0.521 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@H]4CCC(=O)[C@H]43)CC2)cc1 1531318957 ZFZVBGSICVRXPU-YTQUADARSA-N 421.519 0.488 10 10 HCCE COc1cc(N2CCN(C(=O)c3ccc4c(c3)COB4O)CC2)cc(OC)c1OC 1556129561 IRJWHXVKAXTYKF-UHFFFAOYSA-N 412.251 0.893 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1625146230 XHFZJOCBAKNUJN-IBGZPJMESA-N 401.511 0.182 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CC(=O)N(C2CC2)C1 1633575571 XANPHXQEHWORBW-MRXNPFEDSA-N 420.535 0.732 10 10 HCCE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1641228646 XBXNDEJVUGAZOO-AWEZNQCLSA-N 422.507 0.957 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](O)C[C@]3(C)CO)cc2F)C[C@@H](C)O1 1655124518 MZFYFLVWLWMGHN-ICDONNSOSA-N 409.502 0.873 10 10 HCCE COC(=O)C1=CC[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683733824 ARYMWVFBGBVURH-INIZCTEOSA-N 407.492 0.982 10 10 HCCE Cc1ccc(O)c(N=c2nc(N3CCC(O)CC3)[nH]c(N3CCC(O)CC3)n2)c1 1871732188 WJHVESSMWIIZJG-UHFFFAOYSA-N 400.483 0.973 10 10 HCCE O=C(COC(=O)[C@@H](O)C1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 740974975 YRYOMEHVXRBIBX-IBGZPJMESA-N 410.442 0.609 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2)cc1 1278861702 MDVRNCHJETWBFE-AWEZNQCLSA-N 402.476 0.888 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)cc1 1307994028 KQAUHCNOGJWSHJ-TYPHKJRUSA-N 423.579 0.830 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2)cc1 1312993410 APMYRYZTUZSLJH-DOTOQJQBSA-N 402.495 0.947 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)C[C@H](C)O)CC2)cc1 1674219292 NACYQDJPZUTMLV-HNNXBMFYSA-N 414.528 0.169 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)NCCCO)CC3)cc2)CC1 1687441444 NBNUFLOSXGGZLM-UHFFFAOYSA-N 417.554 0.859 10 10 HCCE Cc1nccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)n1 788319209 BHWWVCHRZOJJQO-UHFFFAOYSA-N 424.505 0.587 10 10 HCCE CCOc1ccc(N2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)cc1 1566563201 WNHAFLJTDACRJJ-UHFFFAOYSA-N 419.507 0.878 10 10 HCCE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(O)cc2O)cc1 1570462302 NDWULEOPOSTEIC-UHFFFAOYSA-N 407.448 0.993 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 1570514916 UOWINAAOQZVTPG-UHFFFAOYSA-N 423.466 0.925 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)c3cnn(C[C@@H](O)CO)c3)cc2F)C[C@@H](C)O1 1630551091 ZIZFLEAUTKDDMG-JKIFEVAISA-N 406.458 0.919 10 10 HCCE CN1CCN(c2ccc(CNC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)CC1 1636779822 TWZMGQODEAFLRY-LJQANCHMSA-N 415.519 0.785 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCOC(C)(C)[C@H]3C)CC2)cc1 803746828 IEVJDPLCUQFBQQ-QGZVFWFLSA-N 418.538 0.959 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2)cc1 1312993393 AESPYFKOJDUMDX-HNAYVOBHSA-N 409.508 0.873 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@@]34CCOC4)CC2)cc1 1531315507 BMJXKVZHIIWFRM-UYAOXDASSA-N 423.535 0.690 10 10 HCCE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1cc(O)ccc1O 1558174997 XGQIWLYBYPQUDK-BMFZPTHFSA-N 410.492 0.824 10 10 HCCE CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)co1 1596355173 KVBHLLURUOPANY-UHFFFAOYSA-N 420.491 0.819 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1617941310 WEWJYBYNELIWJA-DNVCBOLYSA-N 422.507 0.674 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c(OC)c1 1631372597 UDWBCVDPUDKDGG-AWEZNQCLSA-N 412.512 0.268 10 10 HCCE CSC[C@@](C)(O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683730381 DXAHDFZMQZBZLM-KRWDZBQOSA-N 401.554 0.835 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/[C@@H]3CCOC3)CC2)cc1 1130864670 CUXFLVVHSMTEJO-WJCMJQHKSA-N 423.535 0.856 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1624529147 NYSOXRXKNOGTRK-SFHVURJKSA-N 416.526 1.000 10 10 HCCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011792 YJEUJZHQYZETPN-ZUZCIYMTSA-N 402.451 0.975 10 10 HCCE CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865719590 ZVQYCODXTVZLNS-CYBMUJFWSA-N 416.434 0.106 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCSC[C@@H]3CO)CC2)cc1 1151329719 KCGHJUCIVNDDPQ-LXXRFIIISA-N 405.520 0.836 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(O)nn3)CC2)cc1 1469900833 SKMZSZASQAFMMX-UHFFFAOYSA-N 421.479 0.073 10 10 HCCE CN(C)C(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1638917938 ODQFFQRJKKXZJR-IBGZPJMESA-N 404.559 0.771 10 10 HCCE CC[C@H]1COCCN1CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683734874 QGYNXZBQTDDIAH-SFHVURJKSA-N 424.567 0.831 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1686854965 LKJNVTVUGSBBKG-QGZVFWFLSA-N 403.527 0.985 10 10 HCCE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(C)C1=O)N(C)CC3)OCO2 2297470881 DVAHYNACRKHJMN-GFCCVEGCSA-N 418.475 0.300 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc1F 1294823725 MIDURGAAOKZPCG-MRXNPFEDSA-N 408.474 0.889 10 10 HCCE CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312983092 LKKXIXVUICCZTG-UHFFFAOYSA-N 417.553 0.498 10 10 HCCE O=C(CN1CCS(=O)(=O)CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1535345714 LQZZQIVUHSUTKQ-UHFFFAOYSA-N 403.451 0.148 10 10 HCCE CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1630287502 CZVBAGUBUYFJHW-UHFFFAOYSA-N 413.540 0.608 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@]12COCCN1C(=O)COC2 1637227761 BWIKEIXNSGITNN-NRFANRHFSA-N 418.494 0.075 10 10 HCCE O=C(COC(=O)[C@H](O)C1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 740974976 YRYOMEHVXRBIBX-LJQANCHMSA-N 410.442 0.609 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC[C@H](C)O)CC2)cc1 1312976405 IYAJSGFRIRIDNA-HNNXBMFYSA-N 414.528 0.217 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@H](NC(C)=O)C3)CC2)cc1 1469194502 CAUCZKWDLXUGQI-OZSKJFCKSA-N 400.479 0.637 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)N(C)C)cc2F)CC1 1585402776 AJFKYTBVNGISIJ-UHFFFAOYSA-N 415.535 0.322 10 10 HCCE CN(C)C(=O)N1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1636796880 RVXFYHSBQOAIRM-UHFFFAOYSA-N 423.539 0.430 10 10 HCCE CN(C)C(=O)CCN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 761639313 XWFLNRIERVWZAK-UHFFFAOYSA-N 421.517 0.968 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(CCO)C3CCC3)CC2)cc1 803746256 CZLBNZQGOSDOPU-UHFFFAOYSA-N 404.511 0.307 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@@]34COCCN3C(=O)OC4)cc2)CC1 1479149123 CBMICJSHHBDHIK-FQEVSTJZSA-N 403.483 0.459 10 10 HCCE O=C(NCC[C@]1(O)CCCOC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565011890 QVXLHTFIZKLLRY-LJQANCHMSA-N 411.524 0.652 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](C(=O)C4CC4)C3)CC2)cc1 801542457 FBBBEUZQUAQIHK-TZIWHRDSSA-N 403.523 0.858 10 10 HCCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1359897180 PNJLRPMUBURHTE-ZDUSSCGKSA-N 407.414 0.557 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1439960013 JFUSQGPIFCHMHS-RBUKOAKNSA-N 403.527 0.599 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)cc1 757664686 FJBIDANJRGQNCF-KRWDZBQOSA-N 402.499 0.236 10 10 HCCE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O 783624400 OGMUBENJKSJTAG-CQSZACIVSA-N 421.479 0.418 10 10 HCCE O=C(Cn1c(O)nnc1O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1141815349 GNZMTAWGDCIWHB-UHFFFAOYSA-N 401.345 0.861 10 10 HCCE COC(=O)[C@](C)(CO)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1460208288 GTKFOIQSBKSPBB-YRVVQQKDSA-N 411.474 0.569 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 1679553022 ZSXULKRQIKYSNW-INIZCTEOSA-N 408.524 0.765 10 10 HCCE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)cc1F 1747571466 IFKXIKBWIXHMSD-UHFFFAOYSA-N 415.473 0.590 10 10 HCCE COc1ccc(S(=O)(=O)NCC/N=[N+](\[O-])C2([N+](=O)[O-])COC(C)(C)OC2)cc1 22636795 BBULDWLHIGQSEA-VLGSPTGOSA-N 418.428 0.692 10 10 HCCE COc1cccc([C@@H]2N[C@](CO)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1O 247898324 DRXODOHJGOZLRB-PTDBIEIZSA-N 418.446 0.795 10 10 HCCE CCOC(=O)[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 741245605 BUMFZXTUSCKACL-GOSISDBHSA-N 409.458 0.542 10 10 HCCE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O 1162278433 HYEDKFLSCDNVEH-BMFZPTHFSA-N 410.492 0.824 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCCN3C)CC2)cc1 1165638994 NBRRYIJPRCHTLP-LJQANCHMSA-N 424.567 0.748 10 10 HCCE CCON(C)C(=O)CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1252655060 YNZQWGIZIDEEIP-UHFFFAOYSA-N 410.471 0.954 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccsc3S(N)(=O)=O)CC2)cc1 1292283695 YYARADFRPKWMFI-UHFFFAOYSA-N 424.548 0.956 10 10 HCCE COC(=O)CCN1CC[C@H](N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1=O 1658172407 OKCVIDKJIZWFJK-INIZCTEOSA-N 421.494 0.998 10 10 HCCE O=C(NCCS(=O)(=O)C1CC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682012209 ZWVXAIYFQRDTSR-UHFFFAOYSA-N 415.537 0.298 10 10 HCCE COc1cc(N2CCN(C(=O)N[C@H](C)C(=O)N(C)OC)CC2)cc(OC)c1OC 1683140760 GIRYVQRPTWLPAH-CYBMUJFWSA-N 410.471 0.952 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 786994733 BOWYAYCQLGSMGT-KBPBESRZSA-N 424.473 0.918 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 787044924 WXZRBQFXAVORJM-CABCVRRESA-N 406.483 0.779 10 10 HCCE CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1O 1768291683 NKHVVHOUNBXFJH-UHFFFAOYSA-N 424.527 0.698 10 10 HCCE COC(=O)[C@H](C[C@H]1CCCO1)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1176020113 DXBXVIITFJFUGT-TYPHKJRUSA-N 421.538 0.878 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1584438294 BWKCXQCKYPWFSR-CQSZACIVSA-N 423.473 0.897 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1137816001 AOFKQQILMVZYAH-NSHDSACASA-N 419.887 0.463 10 10 HCCE COC(=O)N1CC(C)(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1155407984 GRNQVAJMRVTXHB-CMDGGOBGSA-N 416.478 0.857 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(C(N)=O)CC3)cc2F)C[C@H](C)O1 1307761686 KGYPVMNLJJROES-GJZGRUSLSA-N 422.501 0.368 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)[C@@H]3CCCOC3)CC2)cc1 1626480406 SAPLFKFOKYPTJK-DBHZWCICSA-N 417.506 0.804 10 10 HCCE CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)N(C)C 1632295762 RGOXCBHEIJGNBW-SFHVURJKSA-N 412.556 0.603 10 10 HCCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1640232212 LBGAKMQPYLVSDS-KDOFPFPSSA-N 422.555 0.572 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(OC)(OC)[C@@H](O)C3)CC2)cc1 1654636855 FWSSESVVTKKQCX-ICSRJNTNSA-N 409.527 0.234 10 10 HCCE CS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1682582866 LZQQQLRMZPNUIZ-MRXNPFEDSA-N 415.537 0.250 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[C@H](C)C1 803301764 YGJCUCOKJQWSMY-CVEARBPZSA-N 402.495 0.780 10 10 HCCE CN1C[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)NC1=O 1291972068 USSKTKLALBNDGG-INIZCTEOSA-N 413.457 0.582 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(Cc4ccno4)CC3)CC2)cc1 1644305374 OTHBRFVABKNJNE-HXUWFJFHSA-N 415.538 0.984 10 10 HCCE O=C(CN1CCC[C@@H]2CCNC(=O)[C@@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1654617051 VDWLITXFPODHQU-OXQOHEQNSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@@H](O)CN3CCOCC3)C2)cc1 1682188477 RSXQOTJUVPCOED-IEBWSBKVSA-N 406.527 0.856 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCc4c[nH]nc4C3)CC2)cc1 803749099 FPLUTVLVILTVAK-UHFFFAOYSA-N 412.494 0.241 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H](O)COCC1CC1 1230798940 LCTVTURWRPPRLH-SFHVURJKSA-N 411.524 0.508 10 10 HCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1275224390 GYMICMIZXBYZNJ-HNNXBMFYSA-N 405.467 0.991 10 10 HCCE Cc1cc(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCO2 766912119 BCXWHQXGGIBTKV-MRXNPFEDSA-N 424.457 0.648 10 10 HCCE CNC(=O)[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 778389275 FXKJVBJGHWNMNV-XTXLJPNXSA-N 402.495 0.787 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(CO)CC3)cc2F)C[C@@H](C)O1 1307915704 WZQMTNUOZVZJCF-IYBDPMFKSA-N 409.502 0.875 10 10 HCCE C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C 1636797008 VFADXZGTKDIQJS-ZNMIVQPWSA-N 408.524 0.728 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](O)[C@@H]3CCCO3)CC2)cc1 1640489851 YAMDEQOAQJFCBM-VANUVFSVSA-N 403.479 0.556 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](Cn4ccnn4)C3)CC2)cc1 1643788811 HOFFKNUUUJVSQI-ICSRJNTNSA-N 400.527 0.792 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1711095623 RVQOJPSHAACYHN-UHFFFAOYSA-N 419.511 0.912 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCN(C)C(=O)C3)CC2)cc1 1142748591 FDRJAIWGQGRPNW-QWPQOLDESA-N 414.506 0.885 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(CO)CC3)cc2F)C[C@H](C)O1 1307915702 WZQMTNUOZVZJCF-HOTGVXAUSA-N 409.502 0.875 10 10 HCCE CC1(C)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1CCO 1685244529 SDPIVHJIBHCINM-UHFFFAOYSA-N 417.554 0.986 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@H](C)N(C)C3CC3)CC2)cc1 803749542 HNVGJWHWAFAMCD-QGZVFWFLSA-N 417.554 0.532 10 10 HCCE O=C(NCCC1(O)CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1248602700 AXQBZRYBWNNUSZ-UHFFFAOYSA-N 411.524 0.652 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]1(F)CCS(=O)(=O)C1 1461459892 JPVOQQDZBBULNW-MRXNPFEDSA-N 404.485 0.064 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](O)C(F)(F)C1 1470753250 MOVIPEFESUGDFN-OAHLLOKOSA-N 403.451 0.833 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CN(C)CCN1C 1478944633 GILUCKXHZDDEBL-QFBILLFUSA-N 423.583 0.355 10 10 HCCE CCOCCN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1687004425 HTSRNQNKDDQBSS-UHFFFAOYSA-N 424.567 0.785 10 10 HCCE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1768681791 OPLFEBOVAXLXGC-UHFFFAOYSA-N 407.496 0.901 10 10 HCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 767778472 KJMDCMNBMAPFJQ-BZUAXINKSA-N 424.519 0.866 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4CCOCC4)ncn3)cc2)CC1 1138230028 CNTJAMWBMBHRMO-UHFFFAOYSA-N 424.505 0.912 10 10 HCCE Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cn1C 1153443469 KEQAOAQEUMCCNQ-UHFFFAOYSA-N 420.539 0.075 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCCN3C(=O)CCC3=O)cc2)CC1 1288913184 QGSIGBCTMZRCAU-UHFFFAOYSA-N 400.479 0.934 10 10 HCCE C[C@@H]1CN(CCO)CCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471369911 NLWHNZBKSIFVIU-MRXNPFEDSA-N 403.527 0.596 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@@H]3CC(=O)N(C)C3)CC2)cc1 1634989691 MEJWRTVHYGYFGS-IWAYRVGRSA-N 414.506 0.885 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H](O)C1CCOCC1 1683896966 RHNMMGOSFIKEOI-SFHVURJKSA-N 411.524 0.508 10 10 HCCE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)CCOc1ccc(N)cc1 2163011131 VAWKPOXGYUVCJE-CQSZACIVSA-N 403.501 0.795 10 10 HCCE COc1cc(N2CCN(c3ccc(C(=O)NCCO)nn3)CC2)cc(OC)c1OC 758935231 JDTRLKJGXLTNEF-UHFFFAOYSA-N 417.466 0.551 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@](C)(O)Cn3ccccc3=O)cc2)CC1 790957699 FQIVCJFGMMMIPJ-QFIPXVFZSA-N 412.490 0.584 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnc(C)[nH]3)CC2)cc1 1583892540 XUDVTAMLGMKVIA-UHFFFAOYSA-N 407.496 0.609 10 10 HCCE NS(=O)(=O)[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1635997015 VGVAUQYOVZFPHX-LBPRGKRZSA-N 404.439 0.374 10 10 HCCE C[C@H](C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1)N1C(=O)c2ccccc2C1=O 169838968 LMRZINMEJBEXIY-SNVBAGLBSA-N 413.386 0.334 10 10 HCCE COC(=O)[C@@H]1C[C@H](O)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1307906005 UUQMXSYUFWLDGD-NEWSRXKRSA-N 407.511 0.034 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3oc(S(N)(=O)=O)cc3C)cc2)CC1 1447708944 HAUYATQUGQZBPQ-UHFFFAOYSA-N 420.491 0.834 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1646221509 RGPZMZMPSOACME-YVTWGWGSSA-N 409.502 0.731 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(C)CCN(C)CC3)CC2)cc1 1198111907 KCWAWQWOZCJRJB-OAQYLSRUSA-N 405.587 0.357 10 10 HCCE CNS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1479091018 LLSONFRWCYVGSR-HNNXBMFYSA-N 411.528 0.127 10 10 HCCE Cc1cnc2nc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)nn2c1 1531600892 ZICLHFUHQPRHQB-UHFFFAOYSA-N 400.464 0.598 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H](O)CN1c1ccncn1 1566023385 SQDMWCSBZBPRIO-APWZRJJASA-N 415.469 0.833 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](Cn2ccnn2)C1 1683734625 MFHOVWYNRSDOIL-QGZVFWFLSA-N 418.523 0.745 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCC[C@@]4(C3)NC(=O)NC4=O)CC2)cc1 789379881 SDOSGHOFQZZXMB-FQEVSTJZSA-N 401.467 0.018 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN3CCCC3=O)CC2)cc1 1557374837 YSLNXPVVVKWNAU-CMDGGOBGSA-N 400.479 0.639 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1587115047 UIYHQQYFDPVDJQ-CQSZACIVSA-N 423.473 0.958 10 10 HCCE COC(=O)c1ccn(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1617144084 ZPRNGOHILQEAMV-UHFFFAOYSA-N 406.464 0.221 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C3=C(C)N(C)c4nnnn4C3)cc2F)CC1 1627360614 MUAFLOQTUYHQHL-UHFFFAOYSA-N 414.489 0.994 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=C(C)N(C)c4nnnn4[C@H]3C)cc2)CC1 1634074301 LDSCOMARCJKKRL-HNNXBMFYSA-N 424.509 0.943 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccsc3S(N)(=O)=O)cc2)CC1 1634074617 RCHUCLCFIKHEKX-UHFFFAOYSA-N 422.532 0.994 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCC3(O)CCS(=O)(=O)CC3)cc2)CC1 1684973201 KTDLLPIWERUTQO-UHFFFAOYSA-N 410.540 0.177 10 10 HCCE COc1ccc(N2CCN(CCNCc3nccn3S(=O)(=O)N(C)C)CC2)cc1 811475943 NFTSYSYYNKXGCE-UHFFFAOYSA-N 422.555 0.458 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1 1130659634 IIWAONPYFUHQHI-JKSUJKDBSA-N 411.524 0.688 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1197113630 AKYFXMDVHMUSLC-QRCPMIHRSA-N 423.485 0.664 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)COB4O)CC2)cc1 1290318539 MYTMQHWAYHFKOO-UHFFFAOYSA-N 409.295 0.855 10 10 HCCE CN1CCN(c2ccc(CNC(=O)COCC(=O)NCc3cccnc3)cc2)CC1 1303083921 ABFMTBRWAVVMEL-UHFFFAOYSA-N 411.506 0.783 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CCO)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1460964839 JIYAHMNOASYETA-UKBAYJJMSA-N 423.529 0.978 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCO[C@H]3C)CC2)cc1 1461397865 OHKPKIFOFSJXRO-MAUKXSAKSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCNC(=O)CC34CCC4)CC2)cc1 1644418183 WMTNKHTVHWSMBO-LJQANCHMSA-N 402.539 0.923 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCOC[C@@H]4C3)cc2)C1 758386741 HMURJODUKFDQGD-HKUYNNGSSA-N 401.511 0.614 10 10 HCCE C[C@H]1CN(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)CO1 1312985145 YHGIEEOOTSLJAF-IRXDYDNUSA-N 424.567 0.830 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cc(C)on3)CC2)cc1 1616824668 SFFZBHBVXXNLPZ-UHFFFAOYSA-N 422.507 0.802 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)[C@H](C)C1 803301766 YGJCUCOKJQWSMY-HZPDHXFCSA-N 402.495 0.780 10 10 HCCE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3cc(O)ccc3O)CC2)cn1C 1303223417 OQIQBJOFUAYYLO-UHFFFAOYSA-N 408.480 0.857 10 10 HCCE CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1634974048 HDWUYIHVRAVURQ-UHFFFAOYSA-N 403.527 0.461 10 10 HCCE COc1ccc(N2CCN(C(=O)Cn3ccc4c(nnc5ccnn54)c3=O)CC2)cc1 1873831623 XSRPTOOWNQBMOX-UHFFFAOYSA-N 419.445 0.797 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@]3(CCO)CCOC3)cc2)C1 762273638 XDVCZTHNSKWJJY-UWJYYQICSA-N 404.511 0.977 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCc3nccs3)CC2)cc1 793760263 DFBCBWJANNBAKA-UHFFFAOYSA-N 417.535 0.749 10 10 HCCE C[S@@](=N)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1251103735 HGSAPKUCDDWHJM-LJAQVGFWSA-N 422.555 0.807 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN2C(=O)OCC[C@H]2C1 1252845217 VDLQXMCHRSCXDR-KRWDZBQOSA-N 422.507 0.658 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](N(C)C(=O)N(C)C)C3)CC2)cc1 1460528342 YBUGTFFLGMLUHL-WOJBJXKFSA-N 419.570 0.866 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C)CCOC3)CC2)cc1 1538445954 XYWHTXLIAAQWRR-IBGZPJMESA-N 411.524 0.690 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1CS(N)(=O)=O 1687156693 OZTWTWHVWGFANE-ZBFHGGJFSA-N 410.540 0.714 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(OC)c1 1169973130 BWRFCZYEDZJJQC-CRAIPNDOSA-N 413.478 0.782 10 10 HCCE CCC[C@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1300445479 XGWKFSUTLSDZSH-IBGZPJMESA-N 413.540 0.814 10 10 HCCE CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1692558580 GNKAUZZJZIOTLB-CYBMUJFWSA-N 424.527 0.755 10 10 HCCE C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C[C@@H](C)S1=O 1138234017 QJWYJRLETKZSCH-CHWSQXEVSA-N 421.562 0.486 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1nc2ncc(CCO)cn2n1 1141926690 RYWDCXGWGVDKOB-UHFFFAOYSA-N 418.404 0.704 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCCS(=O)(=O)C[C@H]3C)CC2)cc1 1176380642 FCSYMOWYHDUJHQ-MJGOQNOKSA-N 411.568 0.687 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)N1CCOCC1 1360171080 VIQJIXYENAXNMZ-UHFFFAOYSA-N 416.482 0.617 10 10 HCCE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2c(O)cccc2F)c1 1558454877 GFVDUFIXSNMQDF-UHFFFAOYSA-N 409.439 0.828 10 10 HCCE CNC(=O)N[C@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1611253178 HFTDTQFKCKJUHZ-PTZVLDCSSA-N 415.494 0.430 10 10 HCCE O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c(F)ccc(O)c1O 1641160266 UEPHPZRDUZWELT-UHFFFAOYSA-N 424.454 0.514 10 10 HCCE CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1684141337 ICZSTBJRHFVXSY-UHFFFAOYSA-N 410.540 0.825 10 10 HCCE CC(=O)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 808494768 HZNPGUNATPLIPH-UHFFFAOYSA-N 411.432 0.560 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2)CC1 1133631008 USCIQHHMADOIJF-INIZCTEOSA-N 412.494 0.946 10 10 HCCE COC(=O)COCCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1150824109 NHPFEBUQANTBJH-FPLPWBNLSA-N 405.451 0.206 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccnc3O)CC2)cc1 1165629499 XWIVMPOKUXXMOZ-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1307913848 HCZCHTXVNDGMIO-WMZOPIPTSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@H](NC(C)=O)C3)CC2)cc1 1469194500 CAUCZKWDLXUGQI-IWAYRVGRSA-N 400.479 0.637 10 10 HCCE NS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1556946260 BFZMBBSFBICIMY-ZDUSSCGKSA-N 418.466 0.333 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(O)cc3O)c2)CCN1 1639441053 HUYJLNMQBHQAGV-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COC[C@@H]1COCCN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1646244267 PAKZCZDYDFVPPD-LKGOPFMKSA-N 403.479 0.774 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)cc1F 1683460471 YTMRUGYIHVPNLC-HXUWFJFHSA-N 422.457 0.294 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 756247579 ONDHTVZEDPALJQ-GHOSXJJBSA-N 414.506 0.443 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)no3)CC2)cc1 1531667446 YTQPDMLBHRFWNF-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1542490231 IFIDIGMKRNWNSM-IRXDYDNUSA-N 409.508 0.173 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1596314868 GGJHWUDCVURECW-UHFFFAOYSA-N 409.556 0.231 10 10 HCCE O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)NCc1ccc(N2CCOCC2)c(F)c1 1620647874 GCCGMLOOGZVEAU-RTWAWAEBSA-N 420.529 0.810 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)N(C)C)CC3)CC2)cc1 743362457 CTSCDZGJMSYXNZ-UHFFFAOYSA-N 418.542 0.826 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768578503 GAGRCKVYQIPPNN-UHFFFAOYSA-N 415.581 0.683 10 10 HCCE NC(=O)C1(O)CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1150110977 HYSRQAICHUBURD-KPKJPENVSA-N 409.464 0.476 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1465532748 OYTCGYZOPIFTSW-QWHCGFSZSA-N 423.424 0.564 10 10 HCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1cc(O)ccc1O 1558174999 XGQIWLYBYPQUDK-IMJJTQAJSA-N 410.492 0.824 10 10 HCCE CNC(=O)C1(NC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCOCC1 1660180342 NDCUXMJBOMGYKB-GOSISDBHSA-N 406.527 0.063 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868819326 GDDXOTQSRGZAAU-MRXNPFEDSA-N 423.535 0.675 10 10 HCCE Cc1cnc(N)c(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 766792963 HWGSYCTUBOCHLC-UHFFFAOYSA-N 410.521 0.686 10 10 HCCE Cc1nccc(N2CCN(C(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)n1 803664586 PFZUMENOJORMCR-UHFFFAOYSA-N 400.458 0.955 10 10 HCCE CCOC[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 803746543 HZWNARJRMKGVMX-GOSISDBHSA-N 418.538 0.818 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCSC[C@H]3CO)CC2)cc1 1151329715 KCGHJUCIVNDDPQ-DKRLNXSXSA-N 405.520 0.836 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]4COC(=O)N[C@@H]4C3)CC2)cc1 1473613185 KDEYSISELQDOIE-ILZDJORESA-N 404.511 0.608 10 10 HCCE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1536532227 MWXQMYBERMBOFH-UHFFFAOYSA-N 417.554 0.864 10 10 HCCE C[C@H]1CN(CCO)CCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471369909 NLWHNZBKSIFVIU-INIZCTEOSA-N 403.527 0.596 10 10 HCCE Cc1cc(C(=O)NS(=O)(=O)N2CCOCC2)ccc1NC(=O)C1=S=CC=C1 759382621 AHSWKQXFCVSCGI-UHFFFAOYSA-N 409.489 0.518 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cnc4c(c3)NC(=O)CO4)CC2)cc1 770721922 BVZKYSVJQJCBIT-UHFFFAOYSA-N 411.462 0.973 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H](CO)C[C@H]1CCCO1 1478945309 PKDSTUBIPQNDGD-FUHWJXTLSA-N 411.524 0.651 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@H]([C@H](C)O)C3)CC2)cc1 1556995974 PQFYFKCYELEFOC-KRCKVYFQSA-N 403.479 0.508 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN[C@@]3(C(N)=O)CCOC3)cc2F)C[C@@H](C)O1 1559947542 VZVQWFLYJAPRKC-JZKQVHKSSA-N 408.474 0.290 10 10 HCCE CCOC(=O)[C@@H]1CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 754043740 VFHRDKBBUZXCOL-QUCCMNQESA-N 407.511 0.442 10 10 HCCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 762294294 FDNHLZGYWXVQOH-UHFFFAOYSA-N 403.527 0.747 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@@]4(CCOC4)C3)CC2)cc1 769625355 QHQRPPOFZDPCNX-DYRFGFBLSA-N 415.490 0.918 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1617941313 WEWJYBYNELIWJA-KXBFYZLASA-N 422.507 0.674 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1630487676 YFVBTZFDRTVIQC-UHFFFAOYSA-N 421.475 0.802 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1 1130659630 IIWAONPYFUHQHI-CVEARBPZSA-N 411.524 0.688 10 10 HCCE CC(C)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303358164 AVQUKNQGMKJGSM-CQSZACIVSA-N 417.489 0.981 10 10 HCCE Cc1cc(C)nc(-n2[nH]c(C(=O)NCc3c(O)cccc3F)c(CCO)c2=O)n1 1456030025 PRMGWNFBOQFCMP-UHFFFAOYSA-N 401.398 0.882 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)n3ccnc3)CC2)cc1 1628746959 CXHYFJCCFUAFIR-MRXNPFEDSA-N 421.523 0.721 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 728748120 UMIHEWXXQIHHRO-RDJZCZTQSA-N 404.467 0.472 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C4CC4)C(=O)C3)CC2)cc1 778308124 CUZDNAJRLBQZRZ-HJWRWDBZSA-N 412.490 0.733 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)cc2)C1 1441946577 MHSPBDDEZNBVCZ-BHIYHBOVSA-N 424.505 0.434 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1541114149 IGBJPMHSLXLDCT-UHFFFAOYSA-N 420.491 0.304 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2)c(OC)c1 1685343395 IBZLMSVCXUONID-UHFFFAOYSA-N 413.438 0.467 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@@H](CCO)[C@@H](CO)C1 1687006989 SPTBUCDUUCEUGC-IAGOWNOFSA-N 411.524 0.054 10 10 HCCE CCOC(=O)C1=S=C(NC(=O)c2cccc3ncnn23)C(C(=O)OCC)=C1C 542474891 MTVHUCQGUPTDAC-UHFFFAOYSA-N 402.432 0.951 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@](C)(OC)C3)CC2)cc1 803746323 AIIKZLNHEKUFCZ-QFIPXVFZSA-N 418.538 0.961 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3coc(C)n3)CC2)cc1 1130865738 UTJFMCMQUYVYAR-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE COC(=O)N1CC(C)(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1155407985 GRNQVAJMRVTXHB-HJWRWDBZSA-N 416.478 0.857 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 1296055240 RIAXACPBTUKPIM-WMLDXEAASA-N 422.478 0.962 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 1452833167 INXHHSHXFCAZGE-RDJZCZTQSA-N 423.535 0.625 10 10 HCCE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCN(C)CCS(C)(=O)=O 1594016458 GJSRDAIYGFSMJW-UHFFFAOYSA-N 413.521 0.097 10 10 HCCE COc1ccc(N2CCN([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c(OC)c1 1648084257 LSLSUXIIXYHEOP-JKSUJKDBSA-N 404.511 0.938 10 10 HCCE COc1cc(C=C2SC(=S)N(CC(=O)NCC(=O)O)C2=O)cc(OC)c1O 2314827942 PPPUCJHWVHUKIY-UHFFFAOYSA-N 412.445 0.811 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 754041468 ASXTYHYKFJUTER-MJGOQNOKSA-N 411.568 0.545 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)C[C@H]3CCC[C@@H]3O)CC2)cc1 803749230 FVNJWOSHFLDENW-XLIONFOSSA-N 418.538 0.553 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CC(C)=NO3)CC2)cc1 1165636437 AZMNPFHKCQDARG-QGZVFWFLSA-N 410.496 0.428 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCc4nnc(O)n4C3)CC2)cc1 1539285898 XRIZRBLFYSVWFK-INIZCTEOSA-N 414.510 0.883 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1595582563 FFQNYMOBWCQBFX-DOMZBBRYSA-N 421.889 0.318 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NN3C(=O)[C@H](C)N(C)C3=O)CC2)cc1 1629880352 HXZQLQOCTKKGRD-CKXPSTMWSA-N 415.450 0.214 10 10 HCCE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 805363828 GCQALSVIXRARHK-UHFFFAOYSA-N 417.554 0.770 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@]12COCCN1C(=O)COC2 1230200142 HGKIHVLWTXUDFZ-KKSFZXQISA-N 404.511 0.919 10 10 HCCE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 1676353684 SRFLLNIHLHTMFT-AWEZNQCLSA-N 423.495 0.946 10 10 HCCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NN1CCOCC1 17082631 VFQYCMQSMPEQQI-SFQUDFHCSA-N 403.395 0.971 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 1557888662 WYOQZQPUBMJUPX-HBRIFGLASA-N 400.479 0.622 10 10 HCCE CC(C)(CNS(C)(=O)=O)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1564895575 MYKCLKBWJNBULW-UHFFFAOYSA-N 420.482 0.928 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 1868589804 QHGLFVNJFJYCLU-HZPDHXFCSA-N 423.535 0.673 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 744338760 KBBPJTYHQRVHQI-GFCCVEGCSA-N 409.439 0.977 10 10 HCCE CS(=O)(=O)C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1251103587 GEJVWOPUAFAZQV-INIZCTEOSA-N 422.551 0.964 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1460664774 BSLOBDJYMJSVAG-AHCXZYCDSA-N 409.502 0.588 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC(OC)C3)CC2)cc1 1585654037 OFDXSPFEAKWYPL-UHFFFAOYSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C4CC4)C(=O)C3)CC2)cc1 778308119 CUZDNAJRLBQZRZ-CMDGGOBGSA-N 412.490 0.733 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCN(C=O)CC3)CC2)cc1 1136347475 YECZWUOJAGBQNX-BQYQJAHWSA-N 400.479 0.591 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1644085423 AWKCQXBVIUGJPO-NUJGCVRESA-N 408.518 0.664 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN([S@@](C)(=N)=O)CC3)CC2)cc1 1644421115 AZTVESZYFCDOCH-XDBZFTIUSA-N 411.572 0.387 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC([C@@H](F)C(N)=O)CC3)CC2)cc1 1654520332 FJIMTLKVKVASRQ-UYAOXDASSA-N 408.518 0.714 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)cc1 788924534 FMLRQGJTFQLEKQ-OAQYLSRUSA-N 401.511 0.739 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 789810533 AWWYDDDDGQZXNU-CQSZACIVSA-N 406.458 0.358 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCCn3cc(CO)nn3)CC2)cc1 812016420 GGLURCPLDXVLAM-UHFFFAOYSA-N 417.514 0.291 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nn2)O1 1446566513 LLYDGWWFTXLDRK-GJZGRUSLSA-N 401.423 0.914 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCC[C@@H]3C=NNC3=O)CC2)cc1 1630632281 RUIJFBKBAPHJHH-HLRDLLSLSA-N 413.478 0.528 10 10 HCCE COc1ccc(CCN2C(=O)NC(=O)C(=CNN3CCOCC3)C2=O)cc1OC 2296945761 DMAPVBGIVIBPHQ-UHFFFAOYSA-N 404.423 0.045 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CS(N)(=O)=O)cc2)C1 785864917 PVQKJWWYVYQNPR-WBVHZDCISA-N 423.539 0.351 10 10 HCCE COc1ccc(N2CCCN(C(=O)NCCOCCS(N)(=O)=O)CC2)cc1 1229740041 KHOSDDYWOMIPLL-UHFFFAOYSA-N 400.501 0.222 10 10 HCCE CC1(C)CS(=O)(=O)CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1473413050 SCJZPEFPACQKHD-UHFFFAOYSA-N 413.515 0.788 10 10 HCCE COC(=O)CCCONC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1558572420 CGBHYRYHJTYXPT-KTKRTIGZSA-N 405.451 0.901 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3nonc3C)CC2)cc1 1640979700 BFVWQFNYKXNPES-UHFFFAOYSA-N 423.495 0.197 10 10 HCCE Cn1nc2c(cc1=O)CN(C(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)CC2 1685243831 BZZOQZAYIZGFFU-UHFFFAOYSA-N 424.505 0.750 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)CC2)cc1 787329385 DAWRKXJOSHXUBB-YRLHULLVSA-N 402.539 0.764 10 10 HCCE C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 918642995 HINOOOGBDIHSLC-VQIMIIECSA-N 423.560 0.992 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H](CO)OC(C)(C)C3)CC2)cc1 1299626934 ICSPTBNYXJWLEP-OLHLWXQYSA-N 417.506 0.898 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2)CC1 1567592479 VMXZSSCMDRNIFV-UHFFFAOYSA-N 413.482 0.164 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCc3ccn(C)n3)CC2)cc1 803748480 FKSLEEWSLCFCNS-UHFFFAOYSA-N 414.510 0.026 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN(C)S(=O)(=O)N(C)C 1466398073 HIBKXDUXLIEUOI-UHFFFAOYSA-N 407.876 0.285 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2)CC1 1583475269 DUYZTGCXNUUZQO-UHFFFAOYSA-N 422.489 0.314 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1cnnn1C 1611664818 LMPBAGIBLYLAQN-GFCCVEGCSA-N 420.499 0.407 10 10 HCCE CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1685327755 LXOQOZVJEWNNFH-LJQANCHMSA-N 417.510 0.435 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1 1473831181 AOGOOQQWTMTEOM-ICSRJNTNSA-N 404.555 0.978 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1655013349 UNKQHGIWRSWNHU-MJPMAJQWSA-N 423.485 0.976 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1 1684973369 QHQDHWPBBLFTGM-UHFFFAOYSA-N 421.567 0.758 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@H]3CC(N)=O)cc2F)C[C@@H](C)O1 1195233490 JJGKEKANKQMVEB-HLLBOEOZSA-N 422.501 0.632 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)N(C)C)cc1 1313166006 DKTWMWIFFHAANQ-WIYYLYMNSA-N 419.526 0.282 10 10 HCCE CCO[C@H](CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)CN(C)C 1455564241 ZDIAEIDDKGLGMH-CTDFXDFQSA-N 418.538 0.983 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)CC1 1638007786 WPKKOTMHYGIZBI-FQEVSTJZSA-N 422.551 0.538 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)nn2)O1 1125188527 RUFXEDKIFMOEQS-CYBMUJFWSA-N 404.402 0.292 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@@H]3CCOC3)CC2)cc1 1278549322 RQOUTDFXWSZOLZ-INIZCTEOSA-N 411.524 0.690 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)cc2)CC1 1479185273 FCKZOOHOHDVRRV-GOSISDBHSA-N 410.540 0.393 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3nnc(C)o3)CC2)cc1 1538445548 SLTDDLBZGXGFKB-UHFFFAOYSA-N 423.495 0.197 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCc3ncnn3C)CC2)cc1 1631102276 HAEMGSYXZOWVMA-MDZDMXLPSA-N 412.494 0.778 10 10 HCCE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1633185882 FAZLWHNDNJPBSZ-GOSISDBHSA-N 413.496 0.109 10 10 HCCE CCOC(=O)N1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@H](CO)C1 1675580258 KKQQRHTZPACQEA-PKOBYXMFSA-N 419.526 0.687 10 10 HCCE Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)ccc1NC(=O)C1=S=CC=C1 534023483 NMVYKVMNSBUCCQ-UHFFFAOYSA-N 405.461 0.985 10 10 HCCE COCCNC(=O)CSc1ccccc1C(=O)N1CCS(=O)(=O)[C@H](C)C1 737881336 UGABHXBIPAEKSM-CYBMUJFWSA-N 400.522 0.800 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)N(C)C)cc1 1313411870 JVNJINRFFCHVBO-GOSISDBHSA-N 404.559 0.946 10 10 HCCE CC(=O)N1CCC(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1477816090 VCVWBMHKYIYONO-UHFFFAOYSA-N 422.551 0.979 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccnn3C)CC2)cc1 1538444046 CVFJSMWMHHEZAQ-UHFFFAOYSA-N 407.496 0.311 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@H]([C@H](C)O)C3)CC2)cc1 1556995976 PQFYFKCYELEFOC-UWAMSTNLSA-N 403.479 0.508 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cncn3C)CC2)cc1 1583892082 QVKJYTWYJVEOBB-UHFFFAOYSA-N 421.523 0.239 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)cc1 1637555425 LMGRNGHMWLXAOF-HVMFBIMJSA-N 403.479 0.414 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H]3CCc4nnnn4CC3)cc2)CC1 1686830165 IUNQNEXINAFBCY-INIZCTEOSA-N 412.498 0.579 10 10 HCCE CNC(=O)[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)CCO1 1748207410 FVQLQSLRGDOOFV-SFHVURJKSA-N 418.473 0.562 10 10 HCCE Cn1cc([C@H](CO)NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1478945363 QYKTYSFCSWIMRB-KRWDZBQOSA-N 407.496 0.188 10 10 HCCE C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCS1(=O)=O 1636796259 ANSQPLAZZRKGIQ-CZUORRHYSA-N 415.537 0.296 10 10 HCCE NC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCO1 769046677 BNKWTDYDBOHAQR-IBGZPJMESA-N 401.511 0.614 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3nnc(O)n3C)CC2)cc1 1163566903 JNXJIEBHIBQCDL-BQYQJAHWSA-N 400.439 0.051 10 10 HCCE CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470252186 WOSDGFYVYXTNNQ-SJLPKXTDSA-N 411.524 0.772 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 1584087873 BBDAQNCQUXFCKF-CQSZACIVSA-N 412.494 0.556 10 10 HCCE NC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1682582819 KBYZWQOKKMLBSP-INIZCTEOSA-N 408.524 0.718 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCS(=O)(=O)[C@@H](C)C3)CC2)cc1 778286635 BNDIVWVCXPASQB-WAVCKPEOSA-N 421.519 0.546 10 10 HCCE COC(=O)[C@@H](CCF)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452775890 JJRQVXXMMOFQJC-ZPUOCTKUSA-N 407.442 0.917 10 10 HCCE CC(=O)N1C[C@@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2C1 1560103520 RIDAZOQROKYSPQ-HDICACEKSA-N 404.486 0.689 10 10 HCCE CCOc1ccc(N2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)cc1 1642354230 KNPDDVGEQPUNSA-UHFFFAOYSA-N 424.567 0.748 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)c3nnnn3C)cc2F)C[C@@H](C)O1 1660503257 FCEFLISVALWFET-MJBXVCDLSA-N 405.478 0.930 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)CNC(C)=O)CC3)C2)cc1 1674326645 KVRJRKSMADBIBP-KRWDZBQOSA-N 417.510 0.654 10 10 HCCE COCCN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1675579991 GSNQJYXUCBBBQD-IBGZPJMESA-N 424.567 0.784 10 10 HCCE O=C(COC(=O)CN1CCOCC1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 790744736 YEVNUEREIJZHIE-UHFFFAOYSA-N 422.393 0.803 10 10 HCCE C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 804260335 GGNORRYGYOHSMG-QFBILLFUSA-N 417.554 0.989 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H](O)COCC1CC1 1230798936 LCTVTURWRPPRLH-GOSISDBHSA-N 411.524 0.508 10 10 HCCE CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1564399586 LPDMSRKZRPKABK-UHFFFAOYSA-N 410.540 0.883 10 10 HCCE CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687006980 SJPUZLVDPIRCPV-QGZVFWFLSA-N 424.523 0.904 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cc1 768521687 DPBFIUJWIHLAOM-UHFFFAOYSA-N 417.470 0.921 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2F)CC1 1543070760 RGRXRPVGTZSHND-UHFFFAOYSA-N 405.474 0.555 10 10 HCCE NC(=O)[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1683734194 GXGFBARVHPXQID-JXFKEZNVSA-N 420.535 0.718 10 10 HCCE CNC(=O)N[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1230799050 LRTDKMQMNJUFMU-HNNXBMFYSA-N 409.512 0.134 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(N4CC[C@@H](O)C4)C3)CC2)cc1 1300302035 REXBNLUQLDXZFS-LIXSYLKWSA-N 414.506 0.177 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 1473831183 AOGOOQQWTMTEOM-UYAOXDASSA-N 404.555 0.978 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(F)CCOC3)CC2)cc1 1538444770 MUNGDXMVBIAMDY-SFHVURJKSA-N 415.487 0.392 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3coc(OC)n3)CC2)cc1 1583891628 ALJCCOAANCUGKL-UHFFFAOYSA-N 424.479 0.574 10 10 HCCE O=C1NCC2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)O1 1674276528 IVGIBZSZQJDBET-UHFFFAOYSA-N 422.507 0.705 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1684174217 AZSSTRXETZNOSY-FUHWJXTLSA-N 418.494 0.454 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862181170 GNCRLMSBMFIECC-MRXNPFEDSA-N 402.495 0.717 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 2182634363 LDRFDHCYGNYALP-CABCVRRESA-N 401.485 0.547 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCN(CCC(=O)N(C)C)CC3)CC2)cc1 760984126 KJAMSFBCMJHFCE-UHFFFAOYSA-N 417.554 0.440 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)cc2)C1 1441946588 MHSPBDDEZNBVCZ-QRQLOZEOSA-N 424.505 0.434 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@]3(CCO)CCOC3)CC2)cc1 778349374 CIDXPFNNXHVHDO-XYXUZSOXSA-N 417.506 0.805 10 10 HCCE COCCN1C(=O)/C(=C/N[C@@H](C)c2ccc(-n3cncn3)cc2)C(=O)NC1=S 920979444 NHJYGJGDAKBFPD-DGGAMASNSA-N 400.464 0.692 10 10 HCCE O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1 921046928 VWWKTTVWNLGAIG-QGZVFWFLSA-N 414.549 0.515 10 10 HCCE COc1cccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c1O 1313271311 KVMDNWNCIQRGLO-UHFFFAOYSA-N 414.462 0.975 10 10 HCCE Cn1cc(/C=C/C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(=O)n(C)c1=O 1468816994 RIBWCAKQDYXKMG-ONEGZZNKSA-N 420.416 0.528 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H]3CC34CC4)CC2)cc1 1470728882 DHBUNNKLCORPTK-QGZVFWFLSA-N 408.524 0.999 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCNC(=O)CC3)CC2)cc1 1643150097 DYJMOJRALDBMAU-FDMDGMSGSA-N 400.479 0.685 10 10 HCCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1153993890 GIPHFELXWPXPNJ-UHFFFAOYSA-N 409.449 0.577 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCc4nnnn4CC3)CC2)cc1 1440674370 MDVGUXSGIHEUCY-KRWDZBQOSA-N 413.526 0.963 10 10 HCCE CCOC[C@H](C(=O)OC)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1473286225 GRGSCHLDIYWOAP-GOSISDBHSA-N 411.474 0.788 10 10 HCCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(N2CCOCC2)cc1 1560035800 IDJRGWKGYSIWFR-IRXDYDNUSA-N 402.451 0.191 10 10 HCCE O=C(NCc1cccc(O)c1O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644710577 DPZRYBNPKHQUKT-ZDUSSCGKSA-N 400.840 0.707 10 10 HCCE COc1ccc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1 1687565118 ISPGLIFIUZSMTC-UHFFFAOYSA-N 400.435 0.633 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCOC[C@@H]4C3)cc2)C1 758386747 HMURJODUKFDQGD-MJGOQNOKSA-N 401.511 0.614 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1696699485 DCZJIZHRPVMTHE-CQSZACIVSA-N 422.511 0.463 10 10 HCCE CCN1CC[C@H]2OCCN(C[C@H](O)CN3CCN(c4ccc(OC)cc4)CC3)[C@H]2C1 815139198 BAVPKCSHMQAJOM-AKIFATBCSA-N 418.582 0.973 10 10 HCCE COc1ccc(N2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)cc1F 1471084032 KFIBOKJKIZJIMH-UHFFFAOYSA-N 402.492 0.981 10 10 HCCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1479185276 FDNSOLKKGCVUQE-QGZVFWFLSA-N 402.543 0.700 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3S(N)(=O)=O)cc2F)C[C@@H](C)O1 1542113499 ZXEGLYDJSLHJMB-GHMZBOCLSA-N 411.459 0.740 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)cc2)CC1 1558397418 NSZQOPQMSRLUIM-RTBURBONSA-N 424.505 0.434 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](Cn2ccnn2)C1 1683734624 MFHOVWYNRSDOIL-KRWDZBQOSA-N 418.523 0.745 10 10 HCCE CN(C)CCn1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 768707956 IFGOFJAHHRZTBY-UHFFFAOYSA-N 418.473 0.675 10 10 HCCE CCC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)S(N)(=O)=O 1138103599 BONVPLSGTDTULC-MRXNPFEDSA-N 415.512 0.818 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)COc1ccccc1 1556101722 AMKXQIZFSFUJFY-INIZCTEOSA-N 416.430 0.883 10 10 HCCE NS(=O)(=O)c1ccc(O)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 1625090621 VYSHSFDYABWRMD-UHFFFAOYSA-N 409.439 0.945 10 10 HCCE O=C(CN1CC[C@H]2COC(=O)N[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1646814859 QATGHTGZEGQYDL-DOTOQJQBSA-N 406.458 0.709 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@H](O)Cc3cnn(C)c3)CC2)cc1 786706964 HRHSXTXZVKHPEI-HXUWFJFHSA-N 401.511 0.661 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)nn2)O1 1136960860 GKUPEUNTFLXHMI-QGZVFWFLSA-N 414.466 0.525 10 10 HCCE NS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1478786019 FWZKKPCGOQFQDN-ZDUSSCGKSA-N 418.466 0.764 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1557414227 FFLZTORWFJPZSQ-LXJMMZIJSA-N 417.462 0.347 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)[C@H](C)NS(=O)(=O)CC)cc2F)CC1 1136687533 UJMVJHXZEQHDDT-AWEZNQCLSA-N 400.520 0.912 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1303993736 DKWLDDHFRHLLQW-INIZCTEOSA-N 402.476 0.881 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1638918519 WTVLTOQHXRUGPX-LJQANCHMSA-N 404.559 0.819 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3COCC[C@H]3OC)CC2)cc1 1652672907 WLSAYTXYLWKLDD-YZBXUTEPSA-N 403.479 0.820 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4COCC[C@@]4(C(=O)OC)C3)nc12 796521066 DBNNPDIXEFLWHR-HXPMCKFVSA-N 404.423 0.623 10 10 HCCE CCOC[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 803746544 HZWNARJRMKGVMX-SFHVURJKSA-N 418.538 0.818 10 10 HCCE C[C@H]1CN(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)CO1 1312985146 YHGIEEOOTSLJAF-SJORKVTESA-N 424.567 0.830 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCC3CS(=O)(=O)C3)cc2)C1 1320617866 CBHNDWJSQVYYCO-INIZCTEOSA-N 408.524 0.622 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCc4nnc(O)n4C3)CC2)cc1 1539285899 XRIZRBLFYSVWFK-MRXNPFEDSA-N 414.510 0.883 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1584356067 BSUNYHWRNNRDPE-GFCCVEGCSA-N 423.424 0.564 10 10 HCCE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1584507747 SNALQIJJVYMCRJ-SFHVURJKSA-N 422.551 0.819 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)S(=O)(=O)CCO1 1630737916 FQUVVJNFULNMSG-OAHLLOKOSA-N 407.492 0.681 10 10 HCCE COC(=O)N1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1687004663 MRJRXHJUFUSIHW-UHFFFAOYSA-N 424.523 0.905 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1314753746 YACUNULSFRZENJ-CQSZACIVSA-N 417.495 0.699 10 10 HCCE CN1C[C@H](NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C(=O)N1 1466410893 UMUHWCHMYQTTNH-OXBCTQFSSA-N 408.480 0.878 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C(N)=O)c3ccccn3)CC2)cc1 1624833222 YNVCEJJCXOIARH-LCCNJJIFSA-N 423.473 0.638 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 786122737 XXPXWEDBDZCQOJ-HOTGVXAUSA-N 410.540 0.799 10 10 HCCE O=C(CN(CCO)CCOCCO)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1171017630 FUSJERQBBRQHSE-UHFFFAOYSA-N 412.442 0.704 10 10 HCCE CN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 5792845 OBGLQMQWGFAIMJ-ZRDIBKRKSA-N 406.489 0.946 10 10 HCCE COC(=O)[C@](C)(CO)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1460208284 GTKFOIQSBKSPBB-MNVSYLFESA-N 411.474 0.569 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 23503045 LWNWIYNMAOAHRI-DHZHZOJOSA-N 414.462 0.365 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)Cc3ccon3)CC2)cc1 803749713 HUUHNLHNFXUHEG-UHFFFAOYSA-N 401.467 0.580 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)cc1 1161074102 TUTRLJZHUUZABD-GIWCCYDRSA-N 400.479 0.685 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3c4c(nn3C)CCS(=O)(=O)C4)C2)cc1 1278861907 QMKOUVCQAMEXPQ-ZDUSSCGKSA-N 404.492 0.908 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2)C1 1534541100 UFNNSLMBVGZKQL-SJORKVTESA-N 412.494 0.946 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@H](O)CN1c1ccncn1 1638688354 MNZZDDOJZATMIN-WMLDXEAASA-N 419.432 0.847 10 10 HCCE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)O1 1646250867 LWTHDPPFEFOCRQ-LXZKKBNFSA-N 414.480 0.799 10 10 HCCE C[C@@H](NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)C 918848233 BQSAKGZLFOYCDU-LLVKDONJSA-N 423.425 0.794 10 10 HCCE NC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 1317898747 DILZZSJSBTYJCM-INIZCTEOSA-N 416.503 0.966 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCCCS(N)(=O)=O)cc2)C1 1597004642 VKBYRBSXTVVYQN-MRXNPFEDSA-N 410.540 0.853 10 10 HCCE COC(=O)N(C)CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640593050 KKCGZJXXWXJQIS-HJWRWDBZSA-N 404.467 0.714 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](O)C(F)(F)C1 1470753248 MOVIPEFESUGDFN-HNNXBMFYSA-N 403.451 0.833 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4cnn(C)c4)N(C)C(=O)[C@@H]3O)CC2)cc1 1630081184 IBMDCXRISKFBTF-GUDVDZBRSA-N 413.478 0.268 10 10 HCCE Cc1cn2nc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2c(=O)[nH]1 1634974235 KFVIKHNGMQCDEY-UHFFFAOYSA-N 408.462 0.963 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCCCn3cc(C(N)=O)nn3)cc2)CC1 1683286929 YARRZJVPVGXEQA-UHFFFAOYSA-N 414.514 0.408 10 10 HCCE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188916428 PGVRBIZFLHIJJN-UHFFFAOYSA-N 402.425 0.826 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C)C[C@@H]3CO)cc2F)C[C@@H](C)O1 1620434608 YZADXXBPBPPIKH-JFIYKMOQSA-N 408.518 0.664 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3nnc4n3CCOC4)cc2)CC1 1686338326 XTSUGIBFNTXKHI-UHFFFAOYSA-N 413.482 0.509 10 10 HCCE Nn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nncc1=O 32521142 AEWFPMQEWHBNTJ-UHFFFAOYSA-N 407.411 0.858 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CNC(=O)N3)cc2F)C[C@@H](C)O1 732360328 FSVISWDGQDWSMX-JMSVASOKSA-N 408.430 0.280 10 10 HCCE CCC[C@H](O)[C@H](CO)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1141984623 ROZIPYGJCLDAGK-MYQPPDNISA-N 405.495 0.538 10 10 HCCE NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)O1 1355489068 IZFYFYNKZBAEPE-NXHRZFHOSA-N 402.495 0.818 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3coc(CO)c3)CC2)cc1 1557399287 SFGVDKUNECYTKD-UHFFFAOYSA-N 423.491 0.662 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H](O)CN1c1ccncn1 1638688352 MNZZDDOJZATMIN-PBHICJAKSA-N 419.432 0.847 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN2CCOC[C@@H]2C1 1674270996 FPSDKRZERNPQKZ-SFHVURJKSA-N 408.524 0.147 10 10 HCCE CNC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683731304 OGQHXODJODFANY-LJQANCHMSA-N 408.524 0.589 10 10 HCCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)cc1 1858183173 MTBANBCSWMFOOQ-UHFFFAOYSA-N 408.480 0.927 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CSCN3C(C)=O)CC2)cc1 730310529 JWFPCAIAUZCIDY-QGZVFWFLSA-N 407.492 0.808 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCc4cnc(N)nc4C3)CC2)cc1 1147553375 VYOAFMNXOQFBKN-VOTSOKGWSA-N 422.489 0.857 10 10 HCCE CN(C)c1n[nH]c(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 1313230027 PXKINLMSYQASEL-UHFFFAOYSA-N 400.487 0.572 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@H](O)[C@H](CO)C3)CC2)cc1 1570398486 FYETXWVDNSJCIT-WENXUGBFSA-N 403.479 0.102 10 10 HCCE CN1CC(=O)N(CCCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1652068849 ZIIHAYKVXPBCFW-UHFFFAOYSA-N 415.494 0.679 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC=C[C@H]3CO)CC2)cc1 1682526062 RBIOJGAPBUIKGD-KRWDZBQOSA-N 424.523 0.089 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@]3(CCO)CCOC3)cc2)C1 762273636 XDVCZTHNSKWJJY-LAUBAEHRSA-N 404.511 0.977 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1137816000 AOFKQQILMVZYAH-LLVKDONJSA-N 419.887 0.463 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC(C)(C)O)CC2)cc1 1478935042 OJKUGVVAGVFZNH-UHFFFAOYSA-N 414.528 0.217 10 10 HCCE COC(=O)[C@]1(C)C[C@H](OC)CN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1647992861 BBKIDZJTGLVYJV-VCOUNFBDSA-N 421.538 0.831 10 10 HCCE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)C(C)=O)o1 808503209 HIXFYCRJULUBEK-NSHDSACASA-N 401.393 0.311 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1246301882 IKMHVCUCWSJDAP-CVEARBPZSA-N 419.526 0.694 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3C[C@@H]4C[C@H]4C3)CC2)cc1 1252762165 ZQTILYPEFAIMMF-HOTGVXAUSA-N 408.524 0.808 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCS(=O)(=O)CC1 1446815227 JWUBQLJODSUWJI-UHFFFAOYSA-N 404.872 0.278 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1567306193 FDNJVXPDZGIYCT-LNERSKCWSA-N 405.403 0.409 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@]34COC[C@@H]3C4)CC2)cc1 1683846393 AFELELQUMPMOKB-KXBFYZLASA-N 424.523 0.235 10 10 HCCE CO[C@@H]1C=C[C@@](CNC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 70885281 GTYKWPJCYMZBFQ-MOXGXCLJSA-N 414.466 0.897 10 10 HCCE COCCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1230798656 JMZWOPAOLJMLHK-GOSISDBHSA-N 411.524 0.868 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4ncc[nH]4)CC3)CC2)cc1 1460043869 FFNYSNKOWMKBJT-IBGZPJMESA-N 400.527 0.723 10 10 HCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1636058474 DGAMPJMOFYHFNQ-STQMWFEESA-N 401.481 0.530 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCn2ccnc2C1 1681596505 HRTBYYDIPJYUCS-MRXNPFEDSA-N 403.508 0.932 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](OC)C(C)C)CC2)cc1 1585654238 VCGLVTDKBNIGTR-GOSISDBHSA-N 413.540 0.934 10 10 HCCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1597252021 FGWUNGGKPUBZJO-UHFFFAOYSA-N 411.445 0.704 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CCN3CCCC3)CC2)cc1 803749460 GMAHLMFULKCWMQ-UHFFFAOYSA-N 417.554 0.488 10 10 HCCE CCN(CCO)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470729663 LYVJGNWXRBWHGJ-UHFFFAOYSA-N 414.528 0.171 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CO[C@H](C)C3)CC2)cc1 1130659633 IIWAONPYFUHQHI-HZPDHXFCSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nccc(C)n3)CC2)cc1 1130865624 QUBSRUNFCZFAAE-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)cc2F)C[C@H](C)O1 1630554224 AEFRCYAUJLPFCL-IHRRRGAJSA-N 419.461 0.247 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3nnnn3CC3CC3)cc2)CC1 1672010813 SUKCOHRSDPEGSZ-UHFFFAOYSA-N 412.498 0.784 10 10 HCCE COC[C@]1(CO)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683729945 AMXJYGKEPCNGBF-LJQANCHMSA-N 411.524 0.462 10 10 HCCE COCCN1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1=O 787364202 SDRXAZCMPRICFT-UHFFFAOYSA-N 422.501 0.459 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C(=O)C(C)(C)C)CC2)cc1 1130659709 JQUDPFCKWGFZJU-UHFFFAOYSA-N 411.524 0.878 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1=O 1136961333 OVFANHVQTHVFED-IBGZPJMESA-N 417.506 0.923 10 10 HCCE C[C@@]1(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)N1 1526259979 PJRFVGXWCKHMAB-KXBFYZLASA-N 408.524 0.476 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC2)cc1 1542431825 IVXSJNDVNKZOTJ-GOSISDBHSA-N 412.556 0.507 10 10 HCCE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)cc1F 1617665386 FYMSNPGXXROAFJ-UKRRQHHQSA-N 415.473 0.794 10 10 HCCE CN1CCn2ncc(C(=O)NCc3cccc(Br)c3O)c2S1(=O)=O 1623364097 NBURMXITNHBAHR-UHFFFAOYSA-N 415.269 0.915 10 10 HCCE COc1ccc(N2CCN(C(=O)c3nonc3OCc3n[nH]c(=N)s3)CC2)cc1 1872684001 MJXCSTCMMQIGMR-UHFFFAOYSA-N 417.451 0.884 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2O)[C@@H](S(C)(=O)=O)C1 2192665052 RHVNTCQOOMXTJJ-AAEUAGOBSA-N 402.469 0.926 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3CCC(O)CC3)CC2)cc1 1468122046 GNNGKAHZOBCVNU-SREVYHEPSA-N 416.522 0.473 10 10 HCCE CN1C(=O)[C@H](O)[C@H](C(=O)NCc2cccc(Br)c2O)[C@H]1c1cnn(C)c1 1635841046 YHKLNPYLBQHHLW-UMVBOHGHSA-N 423.267 0.695 10 10 HCCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010453 TUZCUULXPONMCD-QGZVFWFLSA-N 423.429 0.790 10 10 HCCE COCCOCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1C 1869969195 JAYRQJAIZUKGOS-UHFFFAOYSA-N 404.471 0.752 10 10 HCCE CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 797431295 LFHYEISNIVTOPI-UHFFFAOYSA-N 415.497 0.404 10 10 HCCE COC(=O)[C@H](C[C@@H]1CCCO1)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1176020110 DXBXVIITFJFUGT-GIVPXCGWSA-N 421.538 0.878 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCC3CS(=O)(=O)C3)cc2)C1 1320617867 CBHNDWJSQVYYCO-MRXNPFEDSA-N 408.524 0.622 10 10 HCCE CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1462810557 XFHQBQLZZOFCDZ-KRWDZBQOSA-N 422.551 0.676 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 1632050260 UMBVWSLMDNNXJD-CQSZACIVSA-N 409.512 0.690 10 10 HCCE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)C2)cc1F 1747569180 JLDSYKGDNBSISE-UHFFFAOYSA-N 415.473 0.704 10 10 HCCE Cc1nc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)cn1C 804739202 ALGQFIUNOIJZAW-UHFFFAOYSA-N 417.285 0.791 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1135946438 RMDJYOUDSKAQPD-SFHVURJKSA-N 416.453 0.807 10 10 HCCE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1566401569 KMXWPCYRUVRPDN-CQSZACIVSA-N 400.453 0.946 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@@H](C(=O)N(C)C)C3)CC2)cc1 1570318330 NPEBIHMUSHGRHF-XZVRFQMRSA-N 414.506 0.837 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C)C[C@H]3CO)CC2)cc1 1634203592 YPKOQFHKGBBXQC-ZEVQVBBLSA-N 402.495 0.035 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1nnc2n1CCOC2 1682011812 WOPYRHLVYVLLSP-UHFFFAOYSA-N 408.409 0.923 10 10 HCCE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 728072239 AUGUZXZHDGGDDG-HNNXBMFYSA-N 412.512 0.436 10 10 HCCE CS(=O)(=O)Cc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)co1 1644863260 DSBTYOJSYNRMBA-UHFFFAOYSA-N 420.491 0.851 10 10 HCCE O=C(NCCN1C(=O)CNC1=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768723720 IGSLAIDPFOVPON-UHFFFAOYSA-N 414.510 0.570 10 10 HCCE Cn1cc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2=O)cn1 1313064553 KYMJVLZALXKWTJ-UHFFFAOYSA-N 412.494 0.940 10 10 HCCE CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1471191582 QEWCFIGYLMLHOA-SFHVURJKSA-N 409.556 0.662 10 10 HCCE CN(C)C(=O)Cn1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nn1 1527864456 PMZYDUJFLFLLLL-UHFFFAOYSA-N 408.409 0.411 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)C1 1565363220 KIGROGOGRZYRND-OAHLLOKOSA-N 422.551 0.964 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)c1 920637111 ZPEXPGQMNMGKBS-UHFFFAOYSA-N 411.480 0.664 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1503487581 LQLXCDLPWIWGFM-OAHLLOKOSA-N 414.466 0.430 10 10 HCCE NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685244431 QPRHPFQWXCPGFO-INIZCTEOSA-N 416.526 0.978 10 10 HCCE O=C(CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1)NC1CC1 1687155139 GMYIKWTUJOVROD-UHFFFAOYSA-N 415.538 0.754 10 10 HCCE O=C1CC[C@@H](N2Cc3c(NC(=O)c4cc(O)c(O)c(O)c4)cccc3C2=O)C(=O)N1 1865876324 CZRMZWFRCXYXFG-CYBMUJFWSA-N 411.370 0.817 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)Cn3nnn(C4CC4)c3=O)cc2F)C[C@H](C)O1 809976062 FOXYOKOPAPGVAJ-STQMWFEESA-N 404.446 0.844 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1565223925 ZIWJKMAQBSCVSK-FQEVSTJZSA-N 406.483 0.401 10 10 HCCE CN(C)S(=O)(=O)N1CC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 1637399727 VUYSBOVAMPMPGX-INIZCTEOSA-N 412.512 0.573 10 10 HCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C[C@@H]12 1638918661 YOZNMIJQMPCDJP-MANSERQUSA-N 424.567 0.809 10 10 HCCE O=C1CC2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)CN1 1674270877 BIOZXJRJEXZTQY-UHFFFAOYSA-N 420.535 0.733 10 10 HCCE NC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1682582820 KBYZWQOKKMLBSP-MRXNPFEDSA-N 408.524 0.718 10 10 HCCE Cc1cc(=O)c(OCC(=O)c2ccc(O)c(O)c2)cn1CC(=O)N1CCNCC1 1857916438 VDICNAKIDLWOTC-UHFFFAOYSA-N 401.419 0.261 10 10 HCCE CCS(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1135936046 QYBFTKMUHMZIDV-INIZCTEOSA-N 412.556 0.651 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(OC)OC)CC3)C2)cc1 1230859454 ZMMOKMBXUAPJDZ-HNNXBMFYSA-N 406.483 0.747 10 10 HCCE NS(=O)(=O)CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1464230394 BSYIYYLNQCSOGS-XFXZXTDPSA-N 417.509 0.822 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)cc1 1687022593 CZNCVHIUCREJNL-CQSZACIVSA-N 401.467 1.000 10 10 HCCE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1F 1766909870 VHZYACPJOPWPPB-HNNXBMFYSA-N 415.473 0.809 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCn4c(O)nnc4C3)cc2F)C[C@@H](C)O1 771811044 CEVOCWJZGIWQJI-ZIAGYGMSSA-N 418.473 0.868 10 10 HCCE COCCN1C(=O)/C(=C\N[C@@H](C)c2ccc(-n3cncn3)cc2)C(=O)NC1=S 920979446 NHJYGJGDAKBFPD-ZENNRRHLSA-N 400.464 0.692 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 1452833168 INXHHSHXFCAZGE-WBVHZDCISA-N 423.535 0.625 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)cc2)CC1 1625198356 FKEOCTQZNJAGTQ-UXHICEINSA-N 424.505 0.401 10 10 HCCE C[C@@H](CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N1CCN(C)CC1 1687632339 PSZWPJSHMVXULA-KRWDZBQOSA-N 416.570 0.823 10 10 HCCE C[C@@]1(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC(=O)NC1 798781237 RFYLHGYDQDIHFR-HXUWFJFHSA-N 407.442 0.738 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)S(N)(=O)=O)cc2F)C[C@@H](C)O1 799886857 FFMQGQQASSBDGM-FRRDWIJNSA-N 402.492 0.916 10 10 HCCE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1303455762 FMSHUIYGEVCIRN-OCCSQVGLSA-N 400.453 0.994 10 10 HCCE CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1OC 1478472167 MTYYYNSYDIFCGM-KSZLIROESA-N 411.524 0.913 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)[C@H]3CCOC3)CC2)cc1 1637555424 LMGRNGHMWLXAOF-CIHFUWIRSA-N 403.479 0.414 10 10 HCCE CN(C)S(=O)(=O)NCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1681318106 MWLRNZAIGNHHLB-HNNXBMFYSA-N 400.501 0.479 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)[C@H](N)CCCNC(=N)N)N2CCCCC2)cc1 1866118171 ALXJACVMJDHRFW-MOPGFXCFSA-N 403.575 0.986 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCSC[C@H]3C)CC2)cc1 803746262 DAOAYVBMZBNLMZ-MRXNPFEDSA-N 406.552 0.897 10 10 HCCE NC(=O)c1ccc(/C=C\C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 1278765568 MSOXJTOCZAXLHV-VURMDHGXSA-N 403.460 0.943 10 10 HCCE O=C1N[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CO1 1355341331 HSRIUQFOWULOPO-HNNXBMFYSA-N 400.414 0.667 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCO1 1479185927 WPZNGGRNKAVNRP-GOSISDBHSA-N 404.515 0.278 10 10 HCCE CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1462805284 TYADHTTZUFNZJI-UHFFFAOYSA-N 422.551 0.676 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)nn2)O1 1630351356 MPYRTMFVRSVKDL-OAHLLOKOSA-N 402.480 0.870 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3cccnc3)CC2)cc1 767618062 XTVIFPHUIXNDQR-UHFFFAOYSA-N 412.446 0.712 10 10 HCCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCC(=O)NCCO 1294691159 QJXZBUPSVHMWHP-LCYFTJDESA-N 411.480 0.642 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)C2)cc1 1436971565 OBRZTKCTHXSXON-APWZRJJASA-N 402.495 0.765 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1528924835 STVIZVNSYQRABC-CQSZACIVSA-N 412.494 0.556 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(F)CCOC3)CC2)cc1 1538444769 MUNGDXMVBIAMDY-GOSISDBHSA-N 415.487 0.392 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(CCO)CCN3CCOCC3)cc2)CC1 1675580740 TZUDRBKABOWXGM-UHFFFAOYSA-N 405.543 0.275 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3cnn(C)c3C)CC2)cc1 803749116 FTFAEXWWYJSSKC-UHFFFAOYSA-N 414.510 0.292 10 10 HCCE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148700225 ALXOFGNEGDFGGV-GOSISDBHSA-N 404.511 0.670 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4[C@H](OC)CS(=O)(=O)[C@H]4C3)C2)cc1 1312995547 WWFQKMKIKKTVSV-RUGDWHBFSA-N 409.508 0.727 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN[C@]3(C(N)=O)CCOC3)cc2F)C[C@@H](C)O1 1559947543 VZVQWFLYJAPRKC-LAPQFRIASA-N 408.474 0.290 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 742947392 DBPCIKPSPYCGDV-UHFFFAOYSA-N 421.523 0.233 10 10 HCCE O=C(CN1CCN(c2ncc[nH]2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1193990309 NITYDFUQWBNYGV-UHFFFAOYSA-N 402.474 0.824 10 10 HCCE COC[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCO1 1478545307 GAOABOMMAPOLDS-QZTJIDSGSA-N 411.524 0.915 10 10 HCCE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1O 1643744736 AUPNIMJULRBYHR-LBPRGKRZSA-N 412.489 0.951 10 10 HCCE NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c(O)cccc2F)c1 1645050153 DYHVMUKPAZFCSL-UHFFFAOYSA-N 415.830 0.878 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)N(C)C)cc1 1134686559 ONYWZAHBRWOAFX-GOSISDBHSA-N 419.551 0.990 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC(O)(COCCO)CC1 1233605501 XCHSNUOYLUENQF-UHFFFAOYSA-N 407.511 0.693 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1617262957 PRWNAQICDZMCML-ZDUSSCGKSA-N 409.446 0.650 10 10 HCCE CCOc1ccc(N2CCN(C(=O)CCn3cc(C(N)=O)c(O)nc3=O)CC2)cc1 1632157852 FQZLERZEEVAYEW-UHFFFAOYSA-N 415.450 0.185 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CSCN3C(=O)CC)nc12 730319457 YRRHHFMIUNRCBS-GFCCVEGCSA-N 408.436 0.966 10 10 HCCE O=C(NCCc1ccc(O)c(O)c1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1622753070 FPUDCHWCWXHDGB-AWEZNQCLSA-N 414.867 0.749 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@H]3CC(=O)N(C)C3)CC2)cc1 1634989693 MEJWRTVHYGYFGS-QWPQOLDESA-N 414.506 0.885 10 10 HCCE CCOc1ccc(N2CCN(C(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)cc1 1636707254 YYAGZUUOCSYTPX-UHFFFAOYSA-N 419.507 0.878 10 10 HCCE CNC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827037 OUKICJYKGPMCJG-YPKPFQOOSA-N 405.457 0.825 10 10 HCCE Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 809977306 UYSANBBUODCFAM-UHFFFAOYSA-N 416.463 0.713 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1470019019 CBJLWPAFSQHUBF-UONOGXRCSA-N 407.496 0.491 10 10 HCCE CCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)COC1 1531317874 RTIYCPVRJZRASV-UHFFFAOYSA-N 411.524 0.690 10 10 HCCE COC(=O)/C=C/c1ccc(N2CCCN(C(=O)CNC(C)=O)CC2)c([N+](=O)[O-])c1 1559254443 LAHPDAIKIZDXCD-FNORWQNLSA-N 404.423 0.956 10 10 HCCE COC(=O)c1cn(CCNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)nn1 1686446682 NVCDMWMVQDQSMG-UHFFFAOYSA-N 401.471 0.316 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3ccnc(C)n3)CC2)cc1 793760248 CZNHCHUGHFJPIE-UHFFFAOYSA-N 412.494 0.348 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1298364227 WDHLRWBFHJMQGK-AWEZNQCLSA-N 417.495 0.699 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(N4CCCC4=O)C3)CC2)cc1 1456300626 OLQJXUZUZBQIRD-HJWRWDBZSA-N 412.490 0.733 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCCS(=O)(=O)C1 1469572206 SODRZPXRRWIOBO-OAHLLOKOSA-N 415.537 0.298 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018006 BLGFWBRLTKSXAR-UONOGXRCSA-N 413.421 0.867 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H]1C1OCCO1 1252843079 FKZFTOOJEKWVBK-QGZVFWFLSA-N 409.508 0.968 10 10 HCCE CC(C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1254716934 XSKKMMSEJNWMHL-UHFFFAOYSA-N 416.570 0.790 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3c[nH]nc3C)CC2)cc1 1644652553 YHXZDNVQCSKHOG-UHFFFAOYSA-N 407.496 0.609 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)cc1F 1683737792 KCWVBQLTGLRTSZ-UHFFFAOYSA-N 403.418 0.201 10 10 HCCE COC(OC)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1684280786 QHGGSNWQNINWDM-UHFFFAOYSA-N 420.510 0.620 10 10 HCCE CS[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799055 LSGNZTZTLPQTEA-CJNGLKHVSA-N 401.554 0.833 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCc4nnnn4CC3)CC2)cc1 1440674372 MDVGUXSGIHEUCY-QGZVFWFLSA-N 413.526 0.963 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](C)N(CCO)[C@H](C)C3)CC2)cc1 1473479669 WFRDUCFFFJNZHS-SVFBPWRDSA-N 406.571 0.565 10 10 HCCE CO[C@@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 1534540537 ODLBRJKNRYVBIK-BEFAXECRSA-N 409.508 0.208 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)cc1 1673826192 JXNFGIKBUBYXAT-ZBFHGGJFSA-N 409.512 0.065 10 10 HCCE C[C@@H](C(N)=O)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945041 QPMAWGGGWUWFRR-QMMMGPOBSA-N 405.457 0.953 10 10 HCCE COC(=O)[C@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778248814 ZBQCOTYQVWHSLS-PTZVLDCSSA-N 401.463 0.922 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cncs3)CC2)cc1 1531665723 OGKDHGOJEZHJJS-UHFFFAOYSA-N 424.548 0.962 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)N1CCO 1565043661 BEVMLVVKFQBKJT-CALCHBBNSA-N 424.567 0.518 10 10 HCCE C[C@@]1(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)N1 1584507669 RBRKRXNVZPENFR-IBGZPJMESA-N 408.524 0.476 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@@H](CO)[C@@H](CCO)C1 1687006990 SPTBUCDUUCEUGC-IRXDYDNUSA-N 411.524 0.054 10 10 HCCE Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1762569097 CTHQLJSSVAQORZ-UHFFFAOYSA-N 414.510 0.942 10 10 HCCE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=O)N(C)C1=O)N(C)CC3)OCO2 2297639498 XIZYIZJPUAYNGH-GFCCVEGCSA-N 402.407 0.135 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 1565362905 CCOUSKYJOWQELY-KRWDZBQOSA-N 400.483 0.307 10 10 HCCE CN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@H]1O 1615077467 YBUWAHLTEXMYCM-GGPKGHCWSA-N 400.479 0.852 10 10 HCCE COc1ccc(N2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)c(OC)c1 1684709450 LAIWNZQHCHWWOX-UHFFFAOYSA-N 414.528 0.850 10 10 HCCE O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1O)N[C@@]2(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 247379412 IXHBEGLDVCFXSS-NARAOEGZSA-N 411.370 0.900 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3CS(=O)(=O)C3)cc2F)C[C@@H](C)O1 1308006180 CENPHZRWCFZXCS-OKILXGFUSA-N 413.515 0.784 10 10 HCCE COC(=O)[C@](C)(CO)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1460208276 GTKFOIQSBKSPBB-JZKQVHKSSA-N 411.474 0.569 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4[C@H](OC)CS(=O)(=O)[C@H]4C3)C2)cc1 1470593170 KBVJYBIVEBVICP-FZDIXFNVSA-N 423.535 0.975 10 10 HCCE COc1ccc(N2CCC(NC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 1520520993 ZXKLMGUESNIBCV-INIZCTEOSA-N 400.439 0.794 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1639621388 CDNDWLDNLCBIRK-GJZGRUSLSA-N 403.460 0.592 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C(=O)[C@@H]4CCCCN4C3=O)CC2)cc1 758189915 DFWVQHRDVYXDFL-HKUYNNGSSA-N 402.495 0.995 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@H]3CCCCO3)CC2)cc1 793782255 FITCTRHMVRXSPV-LJQANCHMSA-N 404.511 0.619 10 10 HCCE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cccc(O)c2O)c1 1303194092 WXHNMUUBOLSFOW-UHFFFAOYSA-N 409.464 0.606 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1452035119 YMTAHCJRGQDEED-HNNXBMFYSA-N 410.540 0.814 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CCn3cc(S(N)(=O)=O)cn3)C2)cc1 1630631959 HTJUPKLPLSOQRW-CQSZACIVSA-N 407.496 0.572 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(N[C@H]4CCOC4)C3)CC2)cc1 1635940440 BLELRPNVLJWSTH-TUYSUELWSA-N 414.506 0.489 10 10 HCCE COC[C@H]1COCCN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1646244264 PAKZCZDYDFVPPD-DVBCCOPCSA-N 403.479 0.774 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)C3CC3)cc2)CC1 1682012124 UVNSJDRQTDKQLG-UHFFFAOYSA-N 408.524 0.765 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)cc1 1682188189 JECLDGFBXDLANB-IIBYNOLFSA-N 418.494 0.449 10 10 HCCE NS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1470655489 OQGSRXKJYJAOOP-UHFFFAOYSA-N 409.556 0.696 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1617939801 HSJAZOJHCCDWTA-JKSUJKDBSA-N 422.507 0.938 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]c(C)c3O)CC2)cc1 1628748313 XJWUOUVAQICYIC-UHFFFAOYSA-N 423.495 0.314 10 10 HCCE Cc1nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nn1-c1nc[nH]n1 1642297626 NBPJGQKXROZIIA-UHFFFAOYSA-N 404.381 0.739 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H](O)C3CCOCC3)cc2)CC1 1676125207 ASJRJIQQGBCXPW-IBGZPJMESA-N 404.511 0.975 10 10 HCCE C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735059 YAKLEUXDYGRWGE-MAUKXSAKSA-N 411.524 0.603 10 10 HCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 790562649 ZPBZHSYGAYRGJI-JTSKRJEESA-N 412.490 0.617 10 10 HCCE CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1CCCSc1nccs1 1360248345 PHCMCYOYPWDNAQ-UHFFFAOYSA-N 409.541 0.991 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCC(O)CC3)cc2)C1 1542180402 KRRRVVNRWUGTFF-QGZVFWFLSA-N 416.522 0.768 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C3CC4(C3)CS(=O)(=O)C4)CC2)cc1 1544314937 ISVIGVBAJUQPFU-UHFFFAOYSA-N 407.536 0.758 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN[C@H]3C(=O)NCC34CCOCC4)CC2)cc1 1654909377 JOBCRDHXXWCYRE-QUCCMNQESA-N 418.538 0.063 10 10 HCCE CN(C)c1noc(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 1686436636 BIHOUXPZIBGUPY-UHFFFAOYSA-N 401.471 0.837 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1686725240 JHACGRUDLCRLPS-OKILXGFUSA-N 415.462 0.987 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865032737 JNDWBWIGZFQOPO-OAHLLOKOSA-N 415.450 0.422 10 10 HCCE C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C[C@H](C)S1=O 1138234026 QJWYJRLETKZSCH-STQMWFEESA-N 421.562 0.486 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCCCCn3cc(C(N)=O)nn3)C2)cc1 1229979633 MDLXXTQMDTUASR-OAHLLOKOSA-N 415.498 0.992 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCCS(C)(=O)=O)CC2)cc1 1451870918 GZQXKPJAFGPONY-KTKRTIGZSA-N 423.535 0.841 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](N(C)C(=O)N(C)C)C3)CC2)cc1 1460528336 YBUGTFFLGMLUHL-PMACEKPBSA-N 419.570 0.866 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCS(=O)(=O)CC1 1461464355 ZNTOUYRFCHMGLA-UHFFFAOYSA-N 400.522 0.362 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3C[C@H](C(=O)OC)C3)CC2)cc1 1633751821 LADYSSILLKKLJY-WGDNIXBHSA-N 401.463 0.968 10 10 HCCE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[C@H]1c1ccnn1C 1138152846 RFHKQVARVHDXSR-RQUSPXKASA-N 402.451 0.867 10 10 HCCE COC(=O)C[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C[C@H]1O 1554546029 RDDPAQACPSABIC-IEBWSBKVSA-N 415.494 0.832 10 10 HCCE COCCO[C@H]1C[C@H](CO)CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1638007271 KFFGCOHPPOWMSR-FPOVZHCZSA-N 420.554 0.994 10 10 HCCE CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 1687155523 QBLLRCXFAOMLPR-QGZVFWFLSA-N 410.540 0.823 10 10 HCCE CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1696997134 BMBCMOPXGXHTDY-GFCCVEGCSA-N 410.500 0.366 10 10 HCCE Cn1ncc2c(N3CCN(c4cc5c(cc4[N+](=O)[O-])OCC(=O)N5)CC3)ncnc21 761869804 CUDZPHRHZOTGEG-UHFFFAOYSA-N 410.394 0.929 10 10 HCCE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1166995839 GGAVWPLSRHXPIK-MFKMUULPSA-N 414.436 0.331 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3coc(CS(C)(=O)=O)n3)CC2)cc1 1464548343 VYNWHHGLGBGZHB-UHFFFAOYSA-N 422.507 0.780 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)CS(C)(=O)=O)CC2)cc1 732673901 BDFCOXIGYRMNFG-MRXNPFEDSA-N 412.556 0.892 10 10 HCCE O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1307913845 HCZCHTXVNDGMIO-SJLPKXTDSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnccn3)CC2)cc1 1527885686 RWMHUKHBPGCBQW-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H](O)COCC3CC3)cc2)CC1 1676126497 SBABDWVGKBSJEU-IBGZPJMESA-N 404.511 0.975 10 10 HCCE O=C(CN1C(=O)CSC1=S)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 238849571 JDKMQRYPKQTTLZ-UHFFFAOYSA-N 407.521 0.364 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@]3(C)CO)CC2)cc1 803749047 FCVLXHOINDHPRX-NRFANRHFSA-N 404.511 0.307 10 10 HCCE CCN1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1252843827 KLCARUZDUGQUJL-UHFFFAOYSA-N 408.524 0.685 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CCn3cc(S(N)(=O)=O)cn3)C2)cc1 1630631958 HTJUPKLPLSOQRW-AWEZNQCLSA-N 407.496 0.572 10 10 HCCE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(C)C1=O)N(C)CC3)OCO2 2297639499 XIZYIZJPUAYNGH-LBPRGKRZSA-N 402.407 0.135 10 10 HCCE O=C(CN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1)N1CCOCC1 740919080 AIQNYWVPSRKNLH-UHFFFAOYSA-N 413.522 0.749 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@H](O)[C@@H](CO)C3)CC2)cc1 1570398484 FYETXWVDNSJCIT-NHBNWDHASA-N 403.479 0.102 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 728748119 UMIHEWXXQIHHRO-NVXWUHKLSA-N 404.467 0.472 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 754041472 ASXTYHYKFJUTER-PKOBYXMFSA-N 411.568 0.545 10 10 HCCE COC[C@@](C)(CCO)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778434868 WZXUQICXIJDGHD-HEDKFQSOSA-N 405.495 0.804 10 10 HCCE CCOC[C@@H](C(=O)OC)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1473286230 GRGSCHLDIYWOAP-SFHVURJKSA-N 411.474 0.788 10 10 HCCE Cn1cc(C2=NO[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cn1 1517371474 BHVFVVZWDQAFEI-HNAYVOBHSA-N 410.478 0.931 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1 1611664714 KAPFMXARTRQYBR-GXTWGEPZSA-N 422.511 0.509 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1 1685497599 WEPNHFCCNMJWQN-UHFFFAOYSA-N 410.500 0.636 10 10 HCCE CCN1CC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1146355827 RTUGPFPDPSRJSG-GOSISDBHSA-N 410.540 0.357 10 10 HCCE NC(=O)[C@]12CCC[C@H]1CN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 1308110779 LWHZRMAMKJHUPJ-KKSFZXQISA-N 404.486 0.866 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1CC2(C1)OCCO2 1312983191 NFZOCUHYNOBCHX-UHFFFAOYSA-N 409.508 0.874 10 10 HCCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1558175000 XGQIWLYBYPQUDK-NUEKZKHPSA-N 410.492 0.824 10 10 HCCE CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1672850627 TWRPXUKFXYRHBP-CYBMUJFWSA-N 402.492 0.994 10 10 HCCE O=C(NCCN1CCC2(C1)OCCO2)NCc1ccc(N2CCOCC2)c(F)c1 1676246538 WQWGQDQSNHNMBW-UHFFFAOYSA-N 408.474 0.910 10 10 HCCE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)CCOc2ccc(N)cc2)C1 2162557388 LXHLYSFXTVQMBE-UHFFFAOYSA-N 401.485 0.549 10 10 HCCE CCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1461459255 GHDCEYMVPSHBNT-UHFFFAOYSA-N 402.538 0.753 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1565223926 ZIWJKMAQBSCVSK-HXUWFJFHSA-N 406.483 0.401 10 10 HCCE COC(=O)c1cccn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 1357836514 WSCGWSVQMRSQRO-UHFFFAOYSA-N 403.410 0.927 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)cc2)CC1 1479185746 SVMGKJFKTOGWHM-RBBKRZOGSA-N 417.554 0.463 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 1644863377 JEKUPDBJLSBEMZ-MRXNPFEDSA-N 410.478 0.781 10 10 HCCE COC(=O)[C@@]1(OC)CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1647802684 UMQKCGMRLGYDDT-WIYYLYMNSA-N 407.511 0.442 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)cc1 1300220593 ARFMIWHKMTVULY-NEWKIXSXSA-N 403.504 0.632 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCN(C)C3)CC2)cc1 1452977781 XGMTYQNPBCTYPP-MRXNPFEDSA-N 410.540 0.215 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H](O)CN1c1ccncn1 1566023387 SQDMWCSBZBPRIO-QFBILLFUSA-N 415.469 0.833 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(N[C@@H]4CCOC4)C3)CC2)cc1 1635940437 BLELRPNVLJWSTH-DKRLNXSXSA-N 414.506 0.489 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@]3(OCCO)CCOC3)cc2)CC1 1684174517 FUAPYKXCUNKGSN-NRFANRHFSA-N 420.510 0.356 10 10 HCCE CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1729310683 JRJXZEOARPJODR-CQSZACIVSA-N 407.496 0.610 10 10 HCCE COc1ccc(N2C(=O)C(=CNCCCN3CCOCC3)C(=O)NC2=S)cc1 2296115771 JUVRFLFAVFRKMJ-UHFFFAOYSA-N 404.492 0.639 10 10 HCCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 756813388 RHDUSVFVCUWTHW-UHFFFAOYSA-N 407.452 0.976 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C(=O)[C@H]4CCCCN4C3=O)CC2)cc1 758189921 DFWVQHRDVYXDFL-PKOBYXMFSA-N 402.495 0.995 10 10 HCCE COc1c(O)nc(O)nc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 1138229099 USECRXNJXVCCRS-UHFFFAOYSA-N 401.423 0.495 10 10 HCCE CSC[C@@H](CCO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252843121 GRKUQGJKABNZQV-OAHLLOKOSA-N 401.554 0.835 10 10 HCCE CCO[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1628748429 XUXZXCPSFQHOCE-MSOLQXFVSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H]4CCCN4C[C@@H]3CO)CC2)cc1 1654715276 NTHIWNWVUXIBBF-PWRODBHTSA-N 404.555 0.319 10 10 HCCE COC(=O)c1cn(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1 769164811 LWAOYNRMDRWLKM-UHFFFAOYSA-N 412.494 0.913 10 10 HCCE COC(=O)c1cc(OCC(=O)NCCCN(C)S(C)(=O)=O)ccc1N(C)C 1473077422 UEYQQYZEHBSHQS-UHFFFAOYSA-N 401.485 0.316 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCCO)CC2)cc1 1870367317 LDRCRVIWSGGGBY-UHFFFAOYSA-N 417.506 0.933 10 10 HCCE CO[C@H]1C=C[C@](CNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)(OC)O1 70883410 WPGCXXGJJJZUAF-QUCCMNQESA-N 414.466 0.897 10 10 HCCE NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 787330079 HIRLEAWRCWLBAY-GUXCAODWSA-N 404.486 0.864 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H]3C[C@@H](OC)C3(C)C)CC2)cc1 803746166 AYWVRTPELJPBMT-RBUKOAKNSA-N 418.538 0.863 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(c4nc(O)n[nH]4)CC3)CC2)cc1 808755663 UTPWVLPDJCFXGU-GOSISDBHSA-N 416.526 0.881 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCCS(=O)(=O)CC3)cc2)CC1 1313304111 CQSWSNFEWYBLAB-UHFFFAOYSA-N 408.524 0.718 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@]1(F)CCS(=O)(=O)C1 1461459646 JPVOQQDZBBULNW-INIZCTEOSA-N 404.485 0.064 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 1469805108 KOZMPBLPIUKVTP-UHFFFAOYSA-N 411.462 0.849 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCC3(OCCO)CCOCC3)cc2)CC1 1479185284 FGDFLDGIUCOETC-UHFFFAOYSA-N 406.527 0.796 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)cc1 1529404324 SUGFFLCZCLPGSY-AWEZNQCLSA-N 423.473 0.897 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3C[C@@H](C)O)CC2)cc1 1870368713 SGVRNYZCGSHOQR-QGZVFWFLSA-N 417.506 0.931 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)N(C)C)cc1 1638917019 CCATXMAHUFIBCE-QAPCUYQASA-N 411.572 0.936 10 10 HCCE COc1ccc(N2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)c(OC)c1 1642104301 ZIUCSAWILUJMSW-UHFFFAOYSA-N 406.508 0.849 10 10 HCCE CCS(=O)(=O)C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683734343 HUOOMAJHHYOMIP-UHFFFAOYSA-N 415.537 0.250 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCC(O)(COCCO)CC2)N(C)C)cc1 1687807604 VHDQUDHHLUPMMT-IBGZPJMESA-N 408.543 0.901 10 10 HCCE Cc1c(OCC(=O)c2ccc(O)c(O)c2)c(=O)ccn1CCC(=O)N1CCNCC1 1857917631 DCXVFVCISICFKU-UHFFFAOYSA-N 415.446 0.652 10 10 HCCE CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 775032571 GDKYPBXLUHLZOU-UHFFFAOYSA-N 417.554 0.534 10 10 HCCE Cn1cc(C2=NO[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cn1 1517371477 BHVFVVZWDQAFEI-KXBFYZLASA-N 410.478 0.931 10 10 HCCE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(O)cc3O)CC2)cn1C 1299572167 DEYNHFYJMOMCFE-UHFFFAOYSA-N 408.480 0.857 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CCCn3c(O)nnc3O)CC2)cc1 1540534429 YPACJOCIXMYBGP-UHFFFAOYSA-N 418.498 0.807 10 10 HCCE COC(=O)NC1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1643963292 DBZWWCHKJZKGPD-LJQANCHMSA-N 406.527 0.999 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155821 XYUDZZFTJIVSNM-LSDHHAIUSA-N 420.510 0.903 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3cnn(C[C@@H](O)CO)c3)CC2)cc1 1463772321 DOLWOQNFUIMUNL-LJQANCHMSA-N 417.510 0.187 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CC(CO)(CO)C3)CC2)cc1 1557742927 XRRQKLZZAWMXOS-VOTSOKGWSA-N 403.479 0.150 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCS(=O)(=O)CCO3)CC2)cc1 1607733097 YFXHRRAAHHYBME-SREVYHEPSA-N 423.491 0.089 10 10 HCCE C[C@@]1(CO)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@]1(C)CO 1620491454 JYNNAKSXUVUCKG-OYRHEFFESA-N 409.502 0.591 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)N(C)C)cc1 1638917016 CCATXMAHUFIBCE-CRAIPNDOSA-N 411.572 0.936 10 10 HCCE O=C(NCCN=c1cc[nH]cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682582617 FWBYNOKJLNOUTO-UHFFFAOYSA-N 403.508 0.650 10 10 HCCE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCCn1cnnn1 1314752534 AFPHRHUDYZNKLW-UHFFFAOYSA-N 411.470 0.819 10 10 HCCE C[C@]1(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)N1 1526259976 PJRFVGXWCKHMAB-DNVCBOLYSA-N 408.524 0.476 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2)cc1 1638650478 VKUFDPJYUZGBKB-KDOFPFPSSA-N 416.453 0.963 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](N2CCOC2=O)C1 1687006636 NREVARQYYBRVNE-KRWDZBQOSA-N 422.507 0.658 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(N(C)C)cc1C 1764940158 QSGOKGNIRYWODF-KRWDZBQOSA-N 411.510 0.410 10 10 HCCE Cn1c(=O)c2cc(C(=O)NCc3cc(Br)ccc3O)n(C)c2n(C)c1=O 804736906 DPFWFBCEMMTPTP-UHFFFAOYSA-N 421.251 0.974 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)C2)cc1 1129993219 LKRVUIHAGZVJHV-XJKSGUPXSA-N 400.439 0.651 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1460742444 WRGZEXPBWGCCPU-QGZVFWFLSA-N 424.448 0.545 10 10 HCCE CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O 1531595911 YYGSHIZPDRLZLW-IBGZPJMESA-N 422.507 0.258 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(C[C@@H](O)CO)c3)cc2F)C[C@@H](C)O1 1630551087 ZIZFLEAUTKDDMG-CKEIUWERSA-N 406.458 0.919 10 10 HCCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3O)c2)CC1 1634194883 RRSVIKKXOMTWSV-UHFFFAOYSA-N 418.475 0.960 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)cc1 1686854840 GGFAAXOEEDSZCY-QGZVFWFLSA-N 403.527 0.937 10 10 HCCE COC[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803748843 DMBSUYJPZSBGHO-GOSISDBHSA-N 404.511 0.571 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 1557888657 WYOQZQPUBMJUPX-FMTZFMEQSA-N 400.479 0.622 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H](O)CN1c1ccncn1 1638688355 MNZZDDOJZATMIN-YOEHRIQHSA-N 419.432 0.847 10 10 HCCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cc(Cl)cc(C(C)=O)c1O 1644000756 OABVNKVXSQGVOF-JSGCOSHPSA-N 409.826 0.916 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 1644651900 DDXTWNFSYTVKRW-QGZVFWFLSA-N 424.567 0.605 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2233978620 VBUMMMHXIFLRQY-QLFBSQMISA-N 401.485 0.029 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cn3)cc2F)CC1 769742212 GFGBJNXPCOUCGE-UHFFFAOYSA-N 421.498 0.940 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)C(F)(F)F)CC2)cc1 1179893916 MFXGCGDTMJUAFH-IDTUSYRASA-N 401.385 0.939 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](N4CCOC4=O)C3)CC2)cc1 1460357990 WFINNCBEHALLGK-OALUTQOASA-N 404.511 0.705 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC)nc1 1299700086 XEYNQVCUOJKNTL-UHFFFAOYSA-N 407.448 0.901 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)cc1 1627041570 YRQZEYMJTBWORY-SYJIQKIWSA-N 414.462 0.164 10 10 HCCE NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1 770495751 XRQYOXPILFZPRY-UHFFFAOYSA-N 404.492 0.868 10 10 HCCE O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCN2CCOC[C@H]2C1 789859692 DZJNYCPRQKGITO-GOSISDBHSA-N 404.536 0.399 10 10 HCCE C[C@@]1(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCS(=O)(=O)N1 1130980255 MVPUMTPERUEAAB-KRWDZBQOSA-N 415.537 0.010 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C3CN(C)CCN(C)C3)CC2)cc1 1540533803 IVMKUDSNCBJLQW-UHFFFAOYSA-N 403.571 0.817 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3cnn(C[C@H](O)CO)c3)cc2F)CC1 1585403464 IMAIDOICLZGUEP-KRWDZBQOSA-N 405.474 0.447 10 10 HCCE CS(=O)(=O)NC1CC(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1672010414 KUMIWEFEJBMZKO-UHFFFAOYSA-N 423.539 0.268 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684587207 AJQZOKFCXLLRCT-UHFFFAOYSA-N 405.499 0.307 10 10 HCCE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1166995838 GGAVWPLSRHXPIK-GXFFZTMASA-N 414.436 0.331 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1C(=O)OC 1256236951 NGIBJDYHHYNNGV-FGTMMUONSA-N 420.510 0.959 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C(=O)OC 1478958146 WPVWJQSUJSTDNG-XYPHTWIQSA-N 405.451 0.878 10 10 HCCE CN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccccc3N)cc2)CC1 1636779644 NMMIQYNMIIKMFE-UHFFFAOYSA-N 417.535 0.615 10 10 HCCE CN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040498734 OBGLQMQWGFAIMJ-UHFFFAOYSA-N 406.489 0.946 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 1148700974 IHYBUADWAQJCOC-IBGZPJMESA-N 416.503 0.994 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@]3(OC)CCS(=O)(=O)C3)CC2)cc1 1442477065 VKQMTWJXBJIDRB-IBGZPJMESA-N 411.524 0.137 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cnn(C)c4)C3)cc2)CC1 1634074749 STEJBARWWIIPRO-SFHVURJKSA-N 424.505 0.758 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CSCN3C(=O)CC)nc12 730319460 YRRHHFMIUNRCBS-LBPRGKRZSA-N 408.436 0.966 10 10 HCCE COC(=O)/C=C/c1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 771176372 MNWSFXJXBVYICT-DIECRNLCSA-N 411.436 0.521 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@H]4C3)cc2)CC1 1565363458 PMQHEHRHBFTLGJ-LJQANCHMSA-N 401.511 0.614 10 10 HCCE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620568639 NKKZXUUTKSHTCO-WMZOPIPTSA-N 423.485 0.979 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)N(C)C)cc1 1638917021 CCATXMAHUFIBCE-YJBOKZPZSA-N 411.572 0.936 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCS(=O)(=O)[C@@H](C)C3)CC2)cc1 778286634 BNDIVWVCXPASQB-PTZVLDCSSA-N 421.519 0.546 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@]4(CNC(=O)C4)C3)CC2)cc1 788924532 FMLRQGJTFQLEKQ-NRFANRHFSA-N 401.511 0.739 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC(CO)(CO)CC3)cc2)CC1 1313309389 VSJFUMVYRDVEEI-UHFFFAOYSA-N 404.511 0.665 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCc3nnc4c(=O)n(C)ccn34)cc2)CC1 1479185433 JXDNJZSPJDRTBB-UHFFFAOYSA-N 424.509 0.222 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1567789458 DSKBFLYGQHCFHE-UHFFFAOYSA-N 411.402 0.618 10 10 HCCE CN(C)c1ccc(CNC(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)cc1 1652207800 CIEWKGGWXKZROV-UHFFFAOYSA-N 415.475 0.426 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(=O)N(C)[C@@H](C)C3)CC2)cc1 800653808 VZQRCMZFSCPDES-FDMDGMSGSA-N 400.479 0.589 10 10 HCCE Cn1c(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2n(C)c1=O 1178405163 DNMDDHCUOCFCPG-UHFFFAOYSA-N 418.431 0.567 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CN(C(C)=O)C[C@H]4C3)CC2)cc1 1197326649 UAHJWUFKIWZAME-ZVDOUQERSA-N 402.539 0.588 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3cnn(C[C@H](O)CO)c3)CC2)cc1 1463772320 DOLWOQNFUIMUNL-IBGZPJMESA-N 417.510 0.187 10 10 HCCE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3cc(O)ccc3O)cnc21 1633595079 HFEURGKZMQZSAC-UHFFFAOYSA-N 408.212 0.620 10 10 HCCE COC[C@@]1(C(=O)OC)CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1654229014 CLWDWWAGVCTAHM-OAQYLSRUSA-N 423.485 0.933 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)N(C)C)cc1 1685495698 BPYQYQHXZUWYRY-HNNXBMFYSA-N 423.543 0.517 10 10 HCCE COc1cc(N2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)cc(OC)c1OC 1478856321 FWLOSMJIPNFXGG-CQSZACIVSA-N 420.466 0.691 10 10 HCCE COC(=O)[C@H]1CSCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1660179203 AEJQBOJAEWEPEJ-PKOBYXMFSA-N 409.552 0.769 10 10 HCCE COc1ccccc1N1C(=O)C(=CNCCCN2CCOCC2)C(=O)NC1=S 2296079399 MBTOVGDYVPDTQY-UHFFFAOYSA-N 404.492 0.639 10 10 HCCE CCOc1ccc(O)c(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 768871622 HQRKWHLJKAMBFE-UHFFFAOYSA-N 409.464 0.989 10 10 HCCE CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1 1167763111 XPSDQRCWOAENTP-UHFFFAOYSA-N 404.492 0.881 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2)CC1 1254716966 ZGXQEKFPEZYZQD-KRWDZBQOSA-N 409.556 0.662 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 1565453343 XSEOQIXQCRBQJP-ZWKOTPCHSA-N 406.531 0.695 10 10 HCCE CNC(=O)N[C@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1611253180 HFTDTQFKCKJUHZ-WAVCKPEOSA-N 415.494 0.430 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 1625951549 GQHVLEGKXJBVML-MOPGFXCFSA-N 404.511 0.747 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1638533210 ALWKSRYPOVUCNS-UHFFFAOYSA-N 422.463 0.428 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1 769837389 MGFNWIKGRIBBTH-UHFFFAOYSA-N 406.464 0.610 10 10 HCCE O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1cc(Br)ccc1O 804738080 BHEXLJCGTKHBHR-GBOPCIDUSA-N 409.236 0.933 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnc(O)n3C)CC2)cc1 1628748394 XMLBBZNAFFTGPI-UHFFFAOYSA-N 423.495 0.016 10 10 HCCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1640232211 LBGAKMQPYLVSDS-KBXCAEBGSA-N 422.555 0.572 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)Cn1ccccc1=O 1116852362 UAJIESJASFTZNX-XOBRGWDASA-N 404.419 0.301 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCSC[C@@H]3CO)CC2)cc1 1151329721 KCGHJUCIVNDDPQ-TUYSUELWSA-N 405.520 0.836 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CN(C)CCN1C 1478944628 GILUCKXHZDDEBL-APWZRJJASA-N 423.583 0.355 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)CC2)c(OC)c1 1530967382 BJCOBWHMFRVXNF-SFHVURJKSA-N 418.494 0.480 10 10 HCCE COC(=O)[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccc(F)cc2O1 1537862966 WVZKSYVVHHOIAD-OAHLLOKOSA-N 421.406 0.590 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@]1(CO)COC[C@@H]2CCCN21 1637228079 GJOXGCZQFURJNG-SIKLNZKXSA-N 418.538 0.673 10 10 HCCE COc1ccc(N2CCN(C(=O)CCNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1873832005 YMGBHRASLYLLTO-OAHLLOKOSA-N 424.523 0.220 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C(C)=O)C[C@@H]3C)CC2)cc1 778371370 PYZHBIOZIZCODO-IJDCCNJMSA-N 414.506 0.979 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1nc2n(c1=O)CCCC2 1546152032 PLJLWOWLYFIFEA-UHFFFAOYSA-N 408.842 0.942 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NOCCN3CCCC3=O)CC2)cc1 1641575070 JYSHMLODHIXFJS-CMDGGOBGSA-N 416.478 0.570 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684365934 JBCJKKPRPQGYHN-GJZGRUSLSA-N 405.499 0.304 10 10 HCCE OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O 34884096 PERPNFLGJXUDDW-BUFXCDORSA-N 406.387 0.153 10 10 HCCE in-vitro COc1ccc(N2CCN(CCCNC(=O)C(=O)NCc3ccnn3C)CC2)cc1 785527940 NDQIVZSBDNJFFQ-UHFFFAOYSA-N 414.510 0.373 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCN(C)C3)CC2)cc1 1452977776 XGMTYQNPBCTYPP-INIZCTEOSA-N 410.540 0.215 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(n2cnnn2)CCOCC1 1634348361 XNMXQWKVRHHFHQ-UHFFFAOYSA-N 400.483 0.704 10 10 HCCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029993 ZUJTXBKDGSJOIE-OAHLLOKOSA-N 400.435 0.682 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3c(O)cccc3F)c2)CCN1 1156164245 SUXWDETUHQLGKR-UHFFFAOYSA-N 407.423 0.582 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2)CC1 1255509440 PURBMVQMYJTJBG-RBUKOAKNSA-N 401.511 0.349 10 10 HCCE C[C@@H]1CN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)O1 726975470 BGKMCPFVPQCGFV-HUUCEWRRSA-N 417.553 0.365 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 740909257 BJVMQGZDLRQKMG-KRWDZBQOSA-N 424.567 0.893 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)CC2)cc1 1136454113 KUAAAYGFDKYTLC-HXUWFJFHSA-N 412.494 0.860 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1OCCO[C@@H]1C(F)(F)F 1531600856 XPAPCTJUCFHUSV-CABCVRRESA-N 422.425 0.884 10 10 HCCE COC(=O)c1cnn(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 1142565879 NZVBFWZZVWYEOQ-UHFFFAOYSA-N 401.467 0.617 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCSC)CC2)cc1 1252762078 YXPHOHXLGIGTFW-UHFFFAOYSA-N 416.569 0.809 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 1350933563 PCZWYLGYYYOWSZ-OAHLLOKOSA-N 407.442 0.690 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 1622026448 CIPKDWFLHHFYJC-SANMLTNESA-N 417.557 0.264 10 10 HCCE COC1(OC)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O 1644312251 SGDYGYZDKQENBV-SFHVURJKSA-N 411.474 0.334 10 10 HCCE CCNC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872644527 LIYVULFYZCUBRM-UHFFFAOYSA-N 403.439 0.484 10 10 HCCE Cn1cc([C@@H](O)CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1478945688 WGLYPFCRWLOECB-KRWDZBQOSA-N 407.496 0.188 10 10 HCCE CC(C)(CN1CCOCC1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565044386 NAJLBBQENFNKHI-UHFFFAOYSA-N 424.567 0.831 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnns3)CC2)cc1 1583892189 RZAURENFJKILKW-UHFFFAOYSA-N 411.509 0.429 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCn1cc(C(N)=O)c(O)nc1=O 1626723227 WTEWCMITAFQHCY-ZDUSSCGKSA-N 401.467 0.560 10 10 HCCE CS(=O)(=O)N1CC(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1672001927 RFUHBANFLHWNPG-UHFFFAOYSA-N 418.466 0.492 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCO)CC2)cc1 1870670170 TUCCRYGIOGMMIY-UHFFFAOYSA-N 416.478 0.036 10 10 HCCE CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1251104241 LUPDLAFPIVUAFY-KRWDZBQOSA-N 423.539 0.221 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H](CO)[C@H]3CCOC3)cc2)CC1 1255508907 IWMBZVFVYJIMEY-ROUUACIJSA-N 404.511 0.833 10 10 HCCE NC(=O)C[C@@H]1COCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1473558733 YONIIYUQRFYHAG-CYBMUJFWSA-N 407.426 0.977 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)[C@H]1CCCOC1 1478945777 XSYNPEFFUDVPNI-WMZOPIPTSA-N 411.524 0.508 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nnc(O)n1C 1565045009 XYUOQSXUOPZIIL-LBPRGKRZSA-N 408.484 0.316 10 10 HCCE COC1CCN(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1687004819 QQXNLPHHXLPXSD-UHFFFAOYSA-N 424.567 0.831 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1C[C@@H]2CCCCN2C1=O 1229664667 YJNRBRMPXGDRDP-ROUUACIJSA-N 420.535 0.874 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)COC1 1291870550 HOAKENHUEXSUBE-OAHLLOKOSA-N 409.508 0.066 10 10 HCCE CO[C@]1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCS(=O)(=O)C1 1471405004 YYDXKMIGZYWPHL-HKUYNNGSSA-N 412.556 0.858 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1471546787 FOAUJWKUYDFYCK-QZTJIDSGSA-N 406.531 0.695 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@H]3CC(=O)N(C)C3)CC2)cc1 1634989692 MEJWRTVHYGYFGS-OZSKJFCKSA-N 414.506 0.885 10 10 HCCE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@@H](C)O1 1648445175 KPKXQBSIYULBIJ-VXGBXAGGSA-N 417.459 0.349 10 10 HCCE C[C@H](C(N)=O)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827074 QPMAWGGGWUWFRR-HFNCJKPHSA-N 405.457 0.953 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(c4nc(N)ns4)CC3)cc2)CC1 1254715827 AQIVPABERHXTFN-UHFFFAOYSA-N 416.555 0.904 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)nn2)O1 1446566509 LLYDGWWFTXLDRK-CABCVRRESA-N 401.423 0.914 10 10 HCCE CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1471191579 QEWCFIGYLMLHOA-GOSISDBHSA-N 409.556 0.662 10 10 HCCE COCc1n[nH]c(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1478931054 DBELRQGDSIVHCQ-UHFFFAOYSA-N 408.484 0.185 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)cc1 1637555427 LMGRNGHMWLXAOF-QXJVMSCWSA-N 403.479 0.414 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H](CO)[C@H]3CCCOC3)cc2)CC1 1638479362 PEBDJIVWVHNNQA-HKUYNNGSSA-N 404.511 0.975 10 10 HCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1674276821 STBOCWBABZVDTF-KOMQPUFPSA-N 415.537 0.296 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N(CCO)CCN1CCOCC1 1684140870 CJIVLSDUPXNOAD-UHFFFAOYSA-N 406.527 0.484 10 10 HCCE COC(=O)c1ccc(=O)n(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1 758964808 OLIIVRGNLNFWMF-UHFFFAOYSA-N 418.450 0.835 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)CC1 786262038 IIVMBUBNWFDPIA-UHFFFAOYSA-N 423.477 0.115 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC(F)(F)C[C@H]1CO 1230798753 KGDCGTOEQUMIRW-HNNXBMFYSA-N 403.451 0.833 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)cc2)CC1 1248575925 QUQUBVMAIBFFQH-NEWSRXKRSA-N 402.495 0.991 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1682582636 GGZHTPBJIDOLDX-INIZCTEOSA-N 411.480 0.005 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 728740495 CFOTWQHQIILOKZ-LJQANCHMSA-N 420.510 0.791 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C(=O)[C@@H]4CCCCN4C3=O)CC2)cc1 758189919 DFWVQHRDVYXDFL-MJGOQNOKSA-N 402.495 0.995 10 10 HCCE C[C@H](NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 803311253 NUGFBDRUBHKDNC-LPHOPBHVSA-N 402.495 0.243 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@]34COCCN3C(=O)OC4)cc2)CC1 1479149127 CBMICJSHHBDHIK-HXUWFJFHSA-N 403.483 0.459 10 10 HCCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011788 YJEUJZHQYZETPN-BMIGLBTASA-N 402.451 0.975 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)N(C)C)cc1 1134881726 FROWESOKQNBVON-SFHVURJKSA-N 417.535 0.969 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(N4CC[C@@H](O)C4)C3)CC2)cc1 1300302036 REXBNLUQLDXZFS-OVKVCFKUSA-N 414.506 0.177 10 10 HCCE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(O)c(O)c1 1622664533 WZKJALTUSSPPSW-UHFFFAOYSA-N 408.432 0.854 10 10 HCCE COC(=O)C1(C)CN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1638650476 VKEABVWNYDHINU-HJWRWDBZSA-N 401.463 0.922 10 10 HCCE O=C(NCc1cccc(Br)c1O)NC[C@@]12COCCN1C(=O)COC2 1684745887 IIKWHKWRIHZOFQ-INIZCTEOSA-N 414.256 0.582 10 10 HCCE CN(C)c1ccc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)cc1F 795087948 XOYXIXTWBNQEQV-UHFFFAOYSA-N 407.533 0.983 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 1142689960 GBPVWOUZROPBAR-MDZDMXLPSA-N 401.419 0.395 10 10 HCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 790557333 AASVOYIJVJHPJT-FQEVSTJZSA-N 419.503 0.151 10 10 HCCE CN1CCN(C)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1308105146 XNDYFACYXBWWAJ-UHFFFAOYSA-N 407.534 0.458 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1 1479030873 SSBPFYDERJMJCW-SFHVURJKSA-N 405.499 0.487 10 10 HCCE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCNS(C)(=O)=O 1503489337 QMMVSZCLSCISQV-UHFFFAOYSA-N 422.511 0.292 10 10 HCCE COCc1n[nH]c(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 1683667118 BDHHVNUYDDXGSY-UHFFFAOYSA-N 401.471 0.652 10 10 HCCE COc1ccc(N2CCC(NC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 1292594117 NIJQKBIOMZCGIB-UHFFFAOYSA-N 420.491 0.649 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2)cc1 1312993413 APMYRYZTUZSLJH-WBVHZDCISA-N 402.495 0.947 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O 1314750971 PAEPHKWAFIFNPM-UHFFFAOYSA-N 419.511 0.960 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@]12COCCN1C(=O)OC2 1675403289 ZBQXWUYOEMKDBC-NRFANRHFSA-N 418.494 0.916 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCN3CCCS3(=O)=O)cc2)CC1 1685244465 QYTNJEZTHDCGFX-UHFFFAOYSA-N 423.539 0.223 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](N)CCCNC(=N)N)N2CCCCC2)cc1 1866118173 ALXJACVMJDHRFW-RBUKOAKNSA-N 403.575 0.986 10 10 HCCE COCCN1CCCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1=O 787363042 LOBFRVJAWYDVRH-FQEVSTJZSA-N 420.554 0.359 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4ncc[nH]4)CC3)CC2)cc1 1139590372 RXMOUGWOSQXPMY-VOTSOKGWSA-N 424.505 0.972 10 10 HCCE O=C(C[C@H]1CCCS1(=O)=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1469958158 VXEGLTYPFAJGLB-MRXNPFEDSA-N 400.522 0.505 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)Cn3cc(C(C)=O)nn3)CC2)cc1 1524982243 MWHREJUJPVOUNU-UHFFFAOYSA-N 400.483 0.818 10 10 HCCE C[C@@]1(CCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)NC(=O)NC1=O 1544929988 RRBGIOOJFWRYQM-BTYIYWSLSA-N 415.494 0.773 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)NS(C)(=O)=O)C1 800551286 YMOUQCMBNIOAKF-UHFFFAOYSA-N 420.535 0.990 10 10 HCCE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 804192015 NWXDCJRDHWCOER-GFCCVEGCSA-N 405.498 0.260 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CCCCN1CCO 1470751380 AESMASMEMYTCFW-IBGZPJMESA-N 424.567 0.567 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C)C[C@H]3CO)cc2F)C[C@@H](C)O1 1620434610 YZADXXBPBPPIKH-NUJGCVRESA-N 408.518 0.664 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 1644863376 JEKUPDBJLSBEMZ-INIZCTEOSA-N 410.478 0.781 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@@H]4[C@H]75)nc12 800251747 CEPWSDMPKZNXLP-KDAYRBBZSA-N 409.398 0.982 10 10 HCCE COCCn1nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1=O 1161174883 IWCBGVNDJDCBJT-UHFFFAOYSA-N 408.405 0.935 10 10 HCCE CN1CCC(O)(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1252844341 MGXQGJJOODDXRL-UHFFFAOYSA-N 410.540 0.177 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCC(=O)N3CCOCC3)cc2)CC1 1558396565 GFJBSPHXVHYOOI-UHFFFAOYSA-N 402.495 0.644 10 10 HCCE NS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 785864801 RFPWNNZXQOJNFY-CQSZACIVSA-N 400.476 0.625 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnc4n3CCC4)cc2)CC1 786120810 UCKKMUOUSHSJHN-UHFFFAOYSA-N 403.508 0.976 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CC[C@]4(CCOC4)C3)CC2)cc1 803746530 DHLPOKQUGATBDB-QFIPXVFZSA-N 416.522 0.572 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c(OC)c1 1479150497 WTQUVWBLPLMONS-HXUWFJFHSA-N 420.466 0.757 10 10 HCCE CCOC1CC(O)(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1565044199 KOISQFTWHJAHCY-UHFFFAOYSA-N 411.524 0.651 10 10 HCCE CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1595583440 IZHHFGFHPRSGGF-HNNXBMFYSA-N 418.947 0.864 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(=O)N(C)CC3)CC2)cc1 1641276513 SXCHXWSDIOVCRW-BQYQJAHWSA-N 400.479 0.591 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)CN3CCN(C)CC3)CC2)cc1 730122172 CFSMSKZSZHQGSZ-IBGZPJMESA-N 418.586 0.752 10 10 HCCE CCC[C@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)S(N)(=O)=O 1440671001 BIQUPCWGLNKWJB-GOSISDBHSA-N 412.556 0.781 10 10 HCCE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1479185275 FDNSOLKKGCVUQE-KRWDZBQOSA-N 402.543 0.700 10 10 HCCE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2Cc3cccc(O)c3C2)c1 1587933220 OENWIGSZTVMRLZ-UHFFFAOYSA-N 410.473 0.616 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1595582564 FFQNYMOBWCQBFX-IUODEOHRSA-N 421.889 0.318 10 10 HCCE CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1COCC12OCCO2 1637766869 RKIROACHHPYLFU-OAHLLOKOSA-N 414.480 0.909 10 10 HCCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029726 UGSSFEFGGGJGJZ-HNNXBMFYSA-N 402.451 0.929 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@@H]34)nc12 800251717 CEPWSDMPKZNXLP-GMYJVMHGSA-N 409.398 0.982 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COC(F)F)CC2)cc1 1616822596 DUBMSAJWLAELDF-UHFFFAOYSA-N 407.439 0.502 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3[C@H](CO)CC[C@H]3CO)cc2F)C[C@@H](C)O1 1646468627 IFDIMUUILCFYCV-MVJTYMMSSA-N 409.502 0.873 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC2)cc1 732673900 BDFCOXIGYRMNFG-INIZCTEOSA-N 412.556 0.892 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cscn3)CC2)cc1 1130865057 IHJRTCVSBMLURP-UHFFFAOYSA-N 424.548 0.962 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COCCN1CC(F)(F)F 1153663809 QMQNCPHZYBPURX-STQMWFEESA-N 420.384 0.951 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4nc(N)n[nH]4)CC3)CC2)cc1 1170745604 UFANOFQKYXDKAQ-SFHVURJKSA-N 415.542 0.758 10 10 HCCE CC(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470404212 SNJUPASGFQYESA-UHFFFAOYSA-N 417.553 0.544 10 10 HCCE CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768912418 YILMHXVTBGSENO-UHFFFAOYSA-N 401.511 0.087 10 10 HCCE O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 1460357103 USJAYWCFMJJHPY-INIZCTEOSA-N 406.458 0.805 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(O)c(O)c1 1566358924 PUPAQNZNHKXCGX-UHFFFAOYSA-N 413.473 0.846 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(CN(C)C)CC3)CC2)cc1 1628748273 WEKWYRXZMBFTOW-UHFFFAOYSA-N 424.567 0.605 10 10 HCCE O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)O)N[C@H](c4ccc(O)cc4O)[C@@H]3C2=O)c1 248006906 UGVOSROMMQJALH-QKPAOTATSA-N 412.354 0.699 10 10 HCCE O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1153792971 WTOPLDGUJLVTSX-RRFJBIMHSA-N 410.492 0.824 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)C(=O)NC(C)C)CC2)cc1 1557026775 RUPIZDCKWHHQRP-YDZSZYSISA-N 402.495 0.929 10 10 HCCE CN1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2S1(=O)=O 1596695567 VPBUNPHFSTUEBC-UHFFFAOYSA-N 423.470 0.423 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=CN(C)S(=O)(=O)N=C3C)cc2)CC1 1638587982 VZDLZTMKVLMVLP-UHFFFAOYSA-N 419.507 0.506 10 10 HCCE COCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)c1=O 254400848 OYKQJXMIKAONDC-UHFFFAOYSA-N 413.459 0.947 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C)CC(C)=NO3)CC2)cc1 1437457842 ZKKGYBJFPIZECZ-LJQANCHMSA-N 424.523 0.818 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1 1441949492 WLSGBXVPUBDFTI-NVXWUHKLSA-N 400.483 0.681 10 10 HCCE O=C(COCc1ccnc(O)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1531985595 MHLILZXYHIQFOL-UHFFFAOYSA-N 405.476 0.855 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3nc(C(N)=O)co3)CC2)cc1 1629084823 UWSUMXNYRXIIEK-VOTSOKGWSA-N 413.434 0.303 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCNS(=O)(=O)N(C)C)C1 1640267063 WYQVCWZXWWFJIP-UHFFFAOYSA-N 421.567 0.920 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN[C@H]3COCCC3(OC)OC)CC2)cc1 1655483366 TYTMFICVDFVCGN-QUCCMNQESA-N 409.527 0.546 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)C2)cc1 1683944948 NPKVYBKXRKGEBE-CYBMUJFWSA-N 418.541 0.631 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](N2CCCC2=O)C1 1687007129 YDJYHURZOTZMJE-GOSISDBHSA-N 420.535 0.828 10 10 HCCE CC(=O)NC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1 1706047983 IHKJXNVYEODSBO-HXUWFJFHSA-N 414.510 0.813 10 10 HCCE CCN(CC)S(=O)(=O)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 746173535 FMNDBRPYEUFYGB-UHFFFAOYSA-N 412.556 0.605 10 10 HCCE COc1ccc(N2CCC(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 804319654 QORXKOGMZGISLO-SFHVURJKSA-N 402.495 0.323 10 10 HCCE CN1C[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)NC1=O 1291972069 USSKTKLALBNDGG-MRXNPFEDSA-N 413.457 0.582 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2)C1 1355489940 QQYQMXWWMNDSNE-INIZCTEOSA-N 413.482 0.197 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@]1(OCCO)CCOC1 1478786947 ZXDYOLKHVWJSNT-LJQANCHMSA-N 415.437 0.769 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](N4CCOCC4)C3)CC2)cc1 1559851610 PVGGYAGRTKUBDA-VXKWHMMOSA-N 418.582 0.975 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H](CO)[C@@H]3CCCOC3)cc2)CC1 1638479363 PEBDJIVWVHNNQA-IEBWSBKVSA-N 404.511 0.975 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NOC(C)C)CC2)cc1 1683847663 XVYZYRNAVRPWKB-UHFFFAOYSA-N 400.501 0.786 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 744350379 GFYYFYDXANHYRI-PYJZQUQOSA-N 413.474 0.895 10 10 HCCE COC(=O)[C@@H]1CN(C)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1233605426 WHAWZSPYTKNJBF-QGZVFWFLSA-N 404.511 0.894 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4COC(=O)N[C@@H]4C3)CC2)cc1 1473613186 KDEYSISELQDOIE-XKGZKEIXSA-N 404.511 0.608 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C)CCCO3)CC2)cc1 1531663725 AUAIMJCLWVNLBH-LJQANCHMSA-N 411.524 0.832 10 10 HCCE CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1635657829 CGHJCVSKJZVPJW-UHFFFAOYSA-N 412.489 0.733 10 10 HCCE C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1nnnn1C 1660503255 FCEFLISVALWFET-MCIONIFRSA-N 405.478 0.930 10 10 HCCE [N-]=[N+]=NCOCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2080389403 QAZOWYMLKTVSFQ-NSHDSACASA-N 400.351 0.701 10 10 HCCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 750658281 GJRDAGHVGGATTQ-UHFFFAOYSA-N 407.496 0.364 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccnc(O)c3)CC2)cc1 1300444074 MPEDDCQXXYLLOJ-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H](O)C[C@@]3(C)CO)CC2)cc1 1645960747 PFVZMDHELWGHCB-PKBHQSAESA-N 403.479 0.244 10 10 HCCE CCS(=O)(=O)NCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1696501077 MGCLVDSBLMOVEM-UHFFFAOYSA-N 422.555 0.999 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4cccnn4)CC3)CC2)cc1 754026098 SBFANXOEYYDEQT-HXUWFJFHSA-N 412.538 0.790 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(=O)N(C)[C@@H](C)C3)CC2)cc1 800653811 VZQRCMZFSCPDES-QWGSZXSUSA-N 400.479 0.589 10 10 HCCE C[C@@H]1CN(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)CO1 1312985144 YHGIEEOOTSLJAF-IAGOWNOFSA-N 424.567 0.830 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](N4CCOC4=O)C3)CC2)cc1 1460357995 WFINNCBEHALLGK-RTBURBONSA-N 404.511 0.705 10 10 HCCE CS(=O)(=O)Cc1nc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)co1 1464360104 IEPMYUPLWNYVJV-AWEZNQCLSA-N 420.491 0.851 10 10 HCCE CNC(=O)CN1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1654848690 YZYZUUXJEHBPRG-UHFFFAOYSA-N 421.517 0.032 10 10 HCCE COCC[C@]1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOC1 1252844837 RNEQUZCZXFVGCS-IBGZPJMESA-N 411.524 0.916 10 10 HCCE COc1ccc(N2CCCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)cc1 1517328292 NEXAYQMQWBVFNC-UHFFFAOYSA-N 419.507 0.878 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@@H](CC(N)=O)C3)cc2F)C[C@@H](C)O1 1654418959 SWCJWVVQGZKURF-UXLLHSPISA-N 422.501 0.632 10 10 HCCE COC(=O)N(C)CCN(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799616 SWDMHZYNLBQJLJ-UHFFFAOYSA-N 412.512 0.761 10 10 HCCE CNC(=O)N[C@H]1CCCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1560141974 IEMWCNIOLGKZNC-PKOBYXMFSA-N 405.543 0.572 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 1618648990 WBCGOXKWEAXMNR-MRXNPFEDSA-N 421.469 0.815 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3C(=O)NCC34CCOCC4)CC2)cc1 1654909375 JOBCRDHXXWCYRE-AZUAARDMSA-N 418.538 0.063 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)cc2)CC1 1671095467 SEULDUCXLRTFCX-RBUKOAKNSA-N 403.527 0.873 10 10 HCCE O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CN1CC1CC1 1683733811 AGGWJKIXEAJULV-UHFFFAOYSA-N 406.508 0.643 10 10 HCCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2162554220 XGQHNEWQCBDHJZ-CABCVRRESA-N 401.485 0.859 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1 4297903 UPWWUHKKMBOSMY-UHFFFAOYSA-N 418.450 0.217 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nccnc3C)CC2)cc1 1130865729 UIFMICSGCVGUKU-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 1133629489 CVVHFPKMAGGUOT-MSOLQXFVSA-N 402.495 0.818 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2F)C[C@H](C)O1 1170470030 UCLVTWXIRNXYBU-DARAHFNDSA-N 418.469 0.260 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCS(=O)(=O)C[C@H]3CCO)cc2)CC1 1471190251 HJKHASRUMNSTBZ-GOSISDBHSA-N 410.540 0.129 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@@H](O)CN1c1ccncn1 1638688353 MNZZDDOJZATMIN-RHSMWYFYSA-N 419.432 0.847 10 10 HCCE Cn1cc(C2=NO[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cn1 1585888048 XGIZCIQBOABULO-GOSISDBHSA-N 417.491 0.464 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ncnc2[nH]cnc12 1644863352 IJPGXFJDVVBKIG-UHFFFAOYSA-N 422.493 0.807 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](c4ccnn4C)C3)CC2)cc1 1660377781 MDCYTALTSFISFG-KNQAVFIVSA-N 415.538 0.985 10 10 HCCE C[C@@H]1c2nncn2CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006653 OBTXKGWYMLAXFJ-CQSZACIVSA-N 404.496 0.799 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](O)CO)CC3 33902535 IGJIPNOEJDYNRR-ZSEKCTLFSA-N 400.383 0.455 10 10 HCCE in-man COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(N4CCCC4=O)C3)CC2)cc1 1456300616 OLQJXUZUZBQIRD-CMDGGOBGSA-N 412.490 0.733 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)c(OC)c1 1534277755 BPCGHWQVBWPDLE-UHFFFAOYSA-N 402.455 0.346 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cn1cnc(C(N)=O)n1 1639827404 SJXXOURDMVOQKJ-UHFFFAOYSA-N 402.455 0.766 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H](CO)[C@@H](CCO)C3)CC2)cc1 1640726800 FXSXXUWSMQUYRB-PLQXZHKYSA-N 417.506 0.349 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1711095297 HSJAZOJHCCDWTA-HOTGVXAUSA-N 422.507 0.938 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)cc1 1312993391 AESPYFKOJDUMDX-BEFAXECRSA-N 409.508 0.873 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@]12COCCN1C(=O)COC2 1479132749 TZBCHEGNQDSORC-NRFANRHFSA-N 418.494 0.292 10 10 HCCE C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1CS(N)(=O)=O 1565452830 MFQDTTAFDNNZMI-UWWQBHOKSA-N 411.572 0.921 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1729420298 LYTCXEPZRNHNDD-HNAYVOBHSA-N 422.507 0.674 10 10 HCCE O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1 921046925 VWWKTTVWNLGAIG-KRWDZBQOSA-N 414.549 0.515 10 10 HCCE Cn1cc(C2=NO[C@@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)cn1 1133847264 JNFXQQPXLZXMDJ-LJQANCHMSA-N 410.478 0.931 10 10 HCCE COc1ccc(N2CCCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 1264733159 POAOJUXXVWGYGE-MRXNPFEDSA-N 400.439 0.748 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC[C@H](C)OC)CC2)cc1 1312976404 IWPNWWUQTPHDJG-HNNXBMFYSA-N 414.528 0.481 10 10 HCCE COC[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCO1 1478545306 GAOABOMMAPOLDS-MSOLQXFVSA-N 411.524 0.915 10 10 HCCE C[C@]1(CCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)NC(=O)NC1=O 1544929990 RRBGIOOJFWRYQM-QVKFZJNVSA-N 415.494 0.773 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCCN3CCC[C@H]3C(N)=O)cc2)CC1 1687044976 BRFVHUHFGNQMPT-IBGZPJMESA-N 402.543 0.577 10 10 HCCE COc1cc(C=C2SC(=S)N([C@H](CO)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 2318684236 VOMZCQXIHPEWJN-MRVPVSSYSA-N 400.390 0.956 10 10 HCCE Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H](O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 752310015 JQBFOKBPPVTWMF-IYBDPMFKSA-N 407.492 0.352 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)OCC[C@@H]4C3)CC2)cc1 754080317 FCXJXAHEOAFWPN-MOPGFXCFSA-N 404.511 0.705 10 10 HCCE NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 785864800 RFPWNNZXQOJNFY-AWEZNQCLSA-N 400.476 0.625 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)CN1CCO 1470752695 JHBPTMBBPILLRA-DLBZAZTESA-N 424.567 0.518 10 10 HCCE COc1ccc(N2CCN(c3nnc(C)n3CCNS(C)(=O)=O)CC2)cc1F 1504295507 IVASHYRRJTYNDU-UHFFFAOYSA-N 412.491 0.610 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1554175839 XWKMMJMGIFEOAY-ZDUSSCGKSA-N 408.484 0.120 10 10 HCCE NC(=O)C[C@H]1COCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1559917414 BQZQWDBQBDDLFO-AWEZNQCLSA-N 407.426 0.977 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1630554230 AEFRCYAUJLPFCL-MCIONIFRSA-N 419.461 0.247 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1631426198 ZOBZRBVNBRJDCR-AWEZNQCLSA-N 404.920 0.522 10 10 HCCE NS(=O)(=O)CCOCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1251734998 PYDHKGARBAJFFD-OAHLLOKOSA-N 401.485 0.388 10 10 HCCE COC(=O)[C@H]1Cc2ccccc2N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 1617652750 FAGFPQRGYKFBRH-AWEZNQCLSA-N 401.444 0.863 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)[C@H]3CCCOC3)CC2)cc1 1626480407 SAPLFKFOKYPTJK-QNICDLNXSA-N 417.506 0.804 10 10 HCCE CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 750036496 PXYBWXQBWKQHAN-UHFFFAOYSA-N 417.915 0.943 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1 1479030872 SSBPFYDERJMJCW-GOSISDBHSA-N 405.499 0.487 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H](O)C1CCOCC1 1683896965 RHNMMGOSFIKEOI-GOSISDBHSA-N 411.524 0.508 10 10 HCCE O=C1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)CCN1 1750423894 QBBDECUUJUMNJX-NSHDSACASA-N 407.525 0.804 10 10 HCCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 115849999 ISFIFXZVBTVMCM-UHFFFAOYSA-N 405.480 0.557 10 10 HCCE CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1253512832 ZFXDOSXQWWHROU-MRXNPFEDSA-N 410.540 0.871 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H](CO)[C@H]3CCOC3)cc2)CC1 1255508908 IWMBZVFVYJIMEY-ZWKOTPCHSA-N 404.511 0.833 10 10 HCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1687631710 AVUYFUIFRFWMNW-DYVFJYSZSA-N 408.524 0.621 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@@H](CNC(C)=O)C3)CC2)cc1 735579078 BMPWUTRRHCWKSC-FQEVSTJZSA-N 419.526 0.364 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cnn(C)c3C)CC2)cc1 757257503 DRVBIFSXWVZYEJ-UHFFFAOYSA-N 400.483 0.614 10 10 HCCE CN1C(=O)[C@@H]2CN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@@H]2C1=O 1251751099 WBQRGPUGPYYGGV-BETUJISGSA-N 408.405 0.558 10 10 HCCE COCC1(O)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1312983088 LGNPPUFYJKEKPI-UHFFFAOYSA-N 411.524 0.604 10 10 HCCE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(O)cc3O)cnc21 1451767140 LGNXQBBUVQFYIM-UHFFFAOYSA-N 408.212 0.620 10 10 HCCE CNS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1479091020 LLSONFRWCYVGSR-OAHLLOKOSA-N 411.528 0.127 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@H](C(=O)N(C)C)C3)CC2)cc1 1570318327 NPEBIHMUSHGRHF-IJDCCNJMSA-N 414.506 0.837 10 10 HCCE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 169902520 SKKUDLBZNUEULD-UHFFFAOYSA-N 408.432 0.959 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 789859598 AWHGDDMSKJSVQC-HNNXBMFYSA-N 404.536 0.935 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H](O)CN1c1ccncn1 1141901637 JNAWQZBERHFQJL-CRAIPNDOSA-N 401.442 0.708 10 10 HCCE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1303455759 FMSHUIYGEVCIRN-GXTWGEPZSA-N 400.453 0.994 10 10 HCCE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 1195756594 HRMNGLUDQFAIAZ-KSSFIOAISA-N 409.458 0.541 10 10 HCCE COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1307903948 BDOMQUPXMORAIY-CVEARBPZSA-N 409.458 0.134 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1 1544308056 GDRIRVJOEXQYQN-UHFFFAOYSA-N 402.492 0.342 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCn3ccnc3)CC2)cc1 1583891911 MGOMCJNLARGULI-UHFFFAOYSA-N 421.523 0.550 10 10 HCCE Nc1nonc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1 33014412 NJRNPEWUVZUQNQ-UHFFFAOYSA-N 422.250 0.811 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)cc2)C1 1441946581 MHSPBDDEZNBVCZ-NEWSRXKRSA-N 424.505 0.434 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN(C)C(C)C)CC2)cc1 1452977385 UQQUVZVLDHORLC-UHFFFAOYSA-N 412.556 0.603 10 10 HCCE CCn1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(O)nc1=O 1470905782 WDXZZUOXVWHSNP-UHFFFAOYSA-N 401.467 0.929 10 10 HCCE Cn1ccn2c(CCNC(=O)NCc3cccc(Br)c3O)nnc2c1=O 1471368464 XTKHYLNECMNIMA-UHFFFAOYSA-N 421.255 0.938 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1nnc2n1CCNC2=O 1479191988 ZEESRYXFHUTBLY-UHFFFAOYSA-N 413.482 0.230 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(CCN(C)C)C(=O)C3)C2)cc1 1686855102 SGTQLZCWLOZOLN-KRWDZBQOSA-N 403.527 0.937 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1313346564 TXHXGIJXAYMCIE-UHFFFAOYSA-N 422.511 0.528 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC(O)(COCCO)CC3)cc2)CC1 1479185883 VWQDLZLSGBTHMM-UHFFFAOYSA-N 406.527 0.484 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3c4c(nn3C)CCS(=O)(=O)C4)cc2)CC1 1536532355 NZASZINQYUWNLA-UHFFFAOYSA-N 417.535 0.573 10 10 HCCE CN(C)S(=O)(=O)N(C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1556946357 GJUMHHXRXMEXIX-UHFFFAOYSA-N 406.455 0.156 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCNC(=O)[C@@H]3C)CC2)cc1 788550557 UFELGRKRGDJPOF-FDMDGMSGSA-N 400.479 0.637 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc2ncc(CCO)cn2n1 1147940921 AKCXJJGHLHOVLM-UHFFFAOYSA-N 414.441 0.689 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1F 1252877424 LWCYHNSUDHFWMP-GOEBONIOSA-N 401.460 0.478 10 10 HCCE CCN(CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 1300445088 UKGGLYCNQUQNOT-UHFFFAOYSA-N 424.567 0.748 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 1675580183 JRAHYBYDGBPNLI-FQEVSTJZSA-N 405.543 0.273 10 10 HCCE O=C(CCn1cc[nH]c(=O)c1=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768916925 XMDLFEADHCRQJD-UHFFFAOYSA-N 411.506 0.775 10 10 HCCE CCn1c(CCC(=O)OCC(=O)C(C)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 808494517 DVLMFJSJQDGYIB-UHFFFAOYSA-N 409.464 0.940 10 10 HCCE Cc1noc(C2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)n1 1252844320 LSXTYVYHXIWKSU-UHFFFAOYSA-N 405.480 0.922 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1307903951 BDOMQUPXMORAIY-JKSUJKDBSA-N 409.458 0.134 10 10 HCCE CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)CCN2C1=O 1478955959 AZHALZRWZJWJBF-RHSMWYFYSA-N 401.467 0.952 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 1542432041 PWKNZTFBRUCKEG-UHFFFAOYSA-N 410.478 0.892 10 10 HCCE CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1565043883 GQJAJMBBTDFZIJ-SFHVURJKSA-N 422.551 0.979 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1683425108 MPQOGXJKRMBTEC-MAUKXSAKSA-N 412.556 0.952 10 10 HCCE NS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 1136961749 YBLNVTULAVZLFW-KRWDZBQOSA-N 410.540 0.427 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc[n+]([O-])cc3)CC2)cc1 1300445167 VTHSFORGATVAMG-UHFFFAOYSA-N 420.491 0.210 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(Cc4nc[nH]n4)CC3)CC2)cc1 1654926798 GQZNSXQTIJGVSS-LJQANCHMSA-N 415.542 0.114 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3c[nH]nc3C)CC2)cc1 788873509 HCWWYLFIQXHQAA-UHFFFAOYSA-N 400.483 0.281 10 10 HCCE O=C1N[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CO1 1264770671 HSRIUQFOWULOPO-OAHLLOKOSA-N 400.414 0.667 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)C(=O)NC(C)C)CC2)cc1 1557026776 RUPIZDCKWHHQRP-ZBTGYSDGSA-N 402.495 0.929 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cccnc2)N(C)C)cc1 1558723654 UBEJLEIRKNLJCM-GOSISDBHSA-N 405.524 0.845 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)cc1 1566326221 CKNROKHYGCWBCQ-KRWDZBQOSA-N 402.426 0.669 10 10 HCCE CCON(C)C(=O)CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640760970 XNHKUBRMVBHPNI-KTKRTIGZSA-N 404.467 0.426 10 10 HCCE NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018497 SSZALMDXLPOKGE-LBPRGKRZSA-N 418.466 0.621 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H](S(C)(=O)=O)C1 2192653803 AGEKJIIIHFUEMF-FZMZJTMJSA-N 400.453 0.860 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O 5208368 IBZGBXXTIGCACK-UZJPJQLHSA-N 414.366 0.154 10 10 HCCE biogenic,in-vitro CCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnc2c1c(=O)n(C)c(=O)n2C 773766538 OZMZZRIKGUDCNE-LLVKDONJSA-N 412.446 0.967 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)ncn3)CC2)cc1 1437455503 QKHPMAZCZSMJKR-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCCCS(N)(=O)=O)cc2)C1 1597004641 VKBYRBSXTVVYQN-INIZCTEOSA-N 410.540 0.853 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)Cc3nnn(C(C)(C)C)n3)CC2)cc1 1631443278 XIUDXXIQKUYMMX-UHFFFAOYSA-N 401.515 0.918 10 10 HCCE [N-]=[N+]=NCCCN(CC(=O)O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086865219 XBVZMVJKRXZYIG-ZDUSSCGKSA-N 414.378 0.679 10 10 HCCE O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cnc4n3CCC4)cc2)CC1 772604054 ABMLYTCUBRCFSQ-UHFFFAOYSA-N 410.521 0.543 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCCCC(=O)C3=O)cc2)CC1 1138230546 XDQDMLOPIWCXQH-UHFFFAOYSA-N 400.479 0.553 10 10 HCCE CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312982393 JHUCUYMLOIORGY-SFHVURJKSA-N 422.551 0.931 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1439960009 JFUSQGPIFCHMHS-MOPGFXCFSA-N 403.527 0.599 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)cc1 1564962133 GKLRDEFUKIKFLK-MAUKXSAKSA-N 411.524 0.977 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(O)cn3)CC2)cc1 1583891742 FOQJBQQKHXCIBF-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1cc(O)ccc1O 1153879410 NWBIRHUYSNNKQE-UHFFFAOYSA-N 408.432 0.854 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)cc1 1195926756 ANOIOESGVILNDE-LMNJBCLMSA-N 402.539 0.779 10 10 HCCE NC(=O)CN(CC(N)=O)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1443287413 DPVYMEHDKCBNHB-KPKJPENVSA-N 424.479 0.216 10 10 HCCE COC(=O)[C@H](CCF)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452775883 JJRQVXXMMOFQJC-OZSKJFCKSA-N 407.442 0.917 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1471546784 FOAUJWKUYDFYCK-MSOLQXFVSA-N 406.531 0.695 10 10 HCCE COC(=O)N[C@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1595550093 PIGMAKDSWGHEMD-WAVCKPEOSA-N 416.478 0.857 10 10 HCCE CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1674712083 HPWMGRPSEDWNHR-HXUWFJFHSA-N 406.527 0.482 10 10 HCCE Cn1c(S)nnc1CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1686915670 JXLFXWODUWBPDU-UHFFFAOYSA-N 424.552 0.381 10 10 HCCE Cc1cc(N2CC[C@H](OC(=O)c3cc(NS(C)(=O)=O)ccc3O)C2=O)n(C)n1 744854818 NIUVDVINHDCZPU-AWEZNQCLSA-N 408.436 0.768 10 10 HCCE CCOC(=O)[C@@H]1CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 754043738 VFHRDKBBUZXCOL-ICSRJNTNSA-N 407.511 0.442 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)cc1 1637837199 PBYYSVWDCLKCFG-LWULTOEVSA-N 400.479 0.670 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCO[C@H]3CCOC3)CC2)cc1 1639080480 GWEDLSZFSAROQX-GHOSXJJBSA-N 403.479 0.822 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@@]3(O)CCOC3)CC2)cc1 1640754292 QNWPNACWLIFYBM-IRUYWQDXSA-N 403.479 0.558 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)OC 1687443491 IQBKSISWVDTWNX-ROUUACIJSA-N 418.494 0.542 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](N)CCCNC(=N)N)N2CCCCC2)cc1 1866118174 ALXJACVMJDHRFW-RTBURBONSA-N 403.575 0.986 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC(CNS(C)(=O)=O)CC3)nc12 796259186 FHUMQRUPNXZRMD-UHFFFAOYSA-N 411.484 0.373 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(OC)no3)CC2)cc1 1616825533 XNGCKAWQGJPQKP-UHFFFAOYSA-N 424.479 0.574 10 10 HCCE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1636424997 OCSQEODAXVETPY-NJDAHSKKSA-N 401.507 0.248 10 10 HCCE Cc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(=O)n1C 1682284279 LEBQYLGSKIIIOZ-UHFFFAOYSA-N 418.519 0.928 10 10 HCCE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1684174218 AZSSTRXETZNOSY-SJLPKXTDSA-N 418.494 0.454 10 10 HCCE COCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 44441527 HZVTYSQSTPVOES-UHFFFAOYSA-N 400.501 0.093 10 10 HCCE CC(C)N1C[C@@H](C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169859685 WJCZWRXNLWHTHE-ZDUSSCGKSA-N 405.451 0.781 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1 1441949506 WLSGBXVPUBDFTI-WBVHZDCISA-N 400.483 0.681 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3[nH]cnc3C)CC2)cc1 1640980275 PXDBFMZPONRFKQ-UHFFFAOYSA-N 407.496 0.609 10 10 HCCE CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)c(O)c4)N(CC(N)=O)O[C@H]3C2=O)cc1 102440667 BEXVEHDPURURQN-IPMKNSEASA-N 411.414 0.992 10 10 HCCE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c1 732064265 FBEGZHSAKNDOKJ-UTCJRWHESA-N 400.460 0.952 10 10 HCCE Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1O 775650358 YYBCLDQHLUIBPM-HNNXBMFYSA-N 422.956 0.989 10 10 HCCE CNC(=O)NC1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1251103674 GZBXNCYQNWEOLA-UHFFFAOYSA-N 416.526 0.991 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)C2)cc1 1300633737 LURNNNBYVKCXQG-GFCCVEGCSA-N 406.464 0.259 10 10 HCCE CN(CCNS(C)(=O)=O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1320494189 KOMBNFAYDHYEMM-UHFFFAOYSA-N 423.583 0.909 10 10 HCCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1536925276 RITSRDGEDSKFKN-UHFFFAOYSA-N 403.508 0.870 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C)CCOC3)CC2)cc1 1538445955 XYWHTXLIAAQWRR-LJQANCHMSA-N 411.524 0.690 10 10 HCCE C[C@]1(CCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)NC(=O)NC1=O 1544929993 RRBGIOOJFWRYQM-YCRPNKLZSA-N 415.494 0.773 10 10 HCCE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1638007273 KFFGCOHPPOWMSR-TZIWHRDSSA-N 420.554 0.994 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1643347324 WQQCGDAZUNPNSZ-CABCVRRESA-N 421.523 0.738 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1647869162 BSLOBDJYMJSVAG-LMSBXDPUSA-N 409.502 0.588 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(=O)N(C)[C@H](C)C3)CC2)cc1 800653810 VZQRCMZFSCPDES-HLRDLLSLSA-N 400.479 0.589 10 10 HCCE Cn1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(=O)c2cnn(C)c21 1291872485 WMWSDGULBLFKBM-HNNXBMFYSA-N 422.489 0.904 10 10 HCCE O=C1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC[C@H]2N1 1565044993 XQQKUBFIGQMRAQ-SJLPKXTDSA-N 420.535 0.732 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1632204744 LZLQAUSTFPBCCY-UHFFFAOYSA-N 405.476 0.819 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684877414 FRMLXLVKKISEHO-GOSISDBHSA-N 404.515 0.278 10 10 HCCE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1685330951 IMRFLXQJZFZPRQ-SJORKVTESA-N 417.554 0.985 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCN(C(N)=O)C3)CC2)cc1 1627061885 RCNJULNBUMIBST-MOEXGYKKSA-N 415.494 0.417 10 10 HCCE COc1ccc(N(C)CCN(C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 1654946981 FHZYGKQHQUDOQB-UHFFFAOYSA-N 412.556 0.603 10 10 HCCE O=C(NCC(=O)N1CCOCC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 776336466 IFYZDCZFRXCLDQ-UHFFFAOYSA-N 415.538 0.877 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)cc1 1300220592 ARFMIWHKMTVULY-WVCWLBHFSA-N 403.504 0.632 10 10 HCCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1644526495 NMNXJDXEJWSKJH-OAHLLOKOSA-N 420.539 0.155 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 1682002414 SSYFPEBWSFLZKE-PIIMJCKOSA-N 424.523 0.091 10 10 HCCE CNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687004207 BCMSLHQUOJGLIC-INIZCTEOSA-N 408.524 0.589 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(O)c2O)[C@H](S(C)(=O)=O)C1 2192659815 NZWYDUHJBQAZOY-WCQYABFASA-N 400.453 0.860 10 10 HCCE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 767778473 KJMDCMNBMAPFJQ-OAGGEKHMSA-N 424.519 0.866 10 10 HCCE CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O 1315073145 JSKPZGXPWRHCFI-UHFFFAOYSA-N 422.511 0.292 10 10 HCCE COc1cc(N2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)cc(OC)c1OC 1478856320 FWLOSMJIPNFXGG-AWEZNQCLSA-N 420.466 0.691 10 10 HCCE CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)C1 1517411916 FOEZAENPHLONKA-OAQYLSRUSA-N 414.510 0.923 10 10 HCCE CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865769096 VZGZQOIBPTWVHY-UHFFFAOYSA-N 401.491 0.700 10 10 HCCE O=C(CNC(=O)c1cccnc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 764941545 ZOVPYZUYWTWNRO-UHFFFAOYSA-N 402.476 0.363 10 10 HCCE COCCOC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCOCC1 1449801264 PTJZZNSGGOTGTB-UHFFFAOYSA-N 402.469 0.706 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)C[C@H]1C 1466881495 CVFQVBMMBPPMFE-NIKGAXFTSA-N 403.479 0.938 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CCCCN1CCO 1470751382 AESMASMEMYTCFW-LJQANCHMSA-N 424.567 0.567 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C)nn3)CC2)cc1 1531315539 BWYKGGJEEGPNAH-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684877421 FRMLXLVKKISEHO-SFHVURJKSA-N 404.515 0.278 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1153664496 UAKBTTNVQZVJLT-KBPBESRZSA-N 414.480 0.360 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1F 1252571043 CQHKVUICMRTMTI-CYBMUJFWSA-N 400.476 0.700 10 10 HCCE O=C1CN(c2ccnc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2)CCN1 1301350506 NWBKONYOEPJWEI-UHFFFAOYSA-N 409.490 0.909 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(O)cc1O 1451772438 WCYQICGYEIJPIA-UHFFFAOYSA-N 413.473 0.846 10 10 HCCE COC[C@H]1COCCN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1646244268 PAKZCZDYDFVPPD-ZEVQVBBLSA-N 403.479 0.774 10 10 HCCE CC(C)N1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1682582979 PYKXOABRBSJVIQ-UHFFFAOYSA-N 408.524 0.684 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)C[C@H]3C)CC2)cc1 1299280033 AIMLFQDJCXDSPC-JTHGQSKGSA-N 416.522 0.425 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(S(C)(=O)=O)C3)CC2)cc1 1557029018 DUKUJJGUAQBDRB-BQYQJAHWSA-N 407.492 0.155 10 10 HCCE [N-]=[N+]=NCCOCCOCCOCCNCCOCCOCCOCCC(=O)O 1857791922 CDPBBXHRNSHWQA-UHFFFAOYSA-N 422.479 0.461 10 10 HCCE CC(=O)C(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 808505440 ZNHCMRWLCLXLPJ-UHFFFAOYSA-N 420.237 0.504 10 10 HCCE CN(C)CC1(O)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1174983205 FRMUUGHXRVINCG-UHFFFAOYSA-N 408.518 0.667 10 10 HCCE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1312990332 LZAJTDJKILPPBS-QZTJIDSGSA-N 411.524 0.507 10 10 HCCE CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 1466883077 WYKKSTQYTKZRCX-KRWDZBQOSA-N 407.540 0.761 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 1645242573 MZOXRRZIWARRCQ-OAHLLOKOSA-N 417.487 0.963 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)N(C)C)cc1 1685608596 DVTDPVCEETXKAE-AZUAARDMSA-N 424.567 0.954 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 743357688 BULANPVAHINGEC-KRWDZBQOSA-N 410.540 0.646 10 10 HCCE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 803687251 YSZOTZGGCZOTTJ-UHFFFAOYSA-N 416.522 0.781 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cccnc3)CC2)cc1 1278548241 AETBUAMMSFFUIH-UHFFFAOYSA-N 418.519 0.901 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1292281116 DBSLEYUDWVBGML-QGZVFWFLSA-N 402.499 0.610 10 10 HCCE NC(=O)C[C@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 1307979031 UIXVWNATGJTJLL-AWEZNQCLSA-N 407.426 0.977 10 10 HCCE COC[C@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1585654092 PYVJIWVDNVDODU-MRXNPFEDSA-N 413.540 0.936 10 10 HCCE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCCN1CCCS1(=O)=O 585735447 AZRSQPPWRVGTSB-UHFFFAOYSA-N 411.505 0.547 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1 778286769 FDMYKRIPVFAHSI-XAVKZTDYSA-N 400.479 0.637 10 10 HCCE NS(=O)(=O)c1cnn(CCC(=O)NCc2cc(Br)ccc2O)c1 804738474 RLDJIOLAJCHKAZ-UHFFFAOYSA-N 403.258 0.705 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3cc(O)ccc3O)c2)CCN1 1153879339 KTKFDOQVPUJULV-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COCCN1CCn2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)nc2C1=O 1548361274 QUJLSDYZSVSJBN-UHFFFAOYSA-N 413.478 0.752 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COCC(F)F)CC2)cc1 1616831376 DADFAXCQURDTMT-UHFFFAOYSA-N 421.466 0.545 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1638488893 PSOCXRAYGFYWFG-GOSISDBHSA-N 422.551 0.123 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1684142323 WZZAPVPTCNCXPE-FQEVSTJZSA-N 423.535 0.747 10 10 HCCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccc(N6CCS(=O)(=O)CC6)cc5)[C@@H]4[C@H]3[C@@H]12 800436853 MQOJCYRGZMYMTQ-FHWFMTMASA-N 412.511 0.865 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)N(C)C)cc1 1456930965 JBNGJPJSEGFMAF-QGZVFWFLSA-N 421.523 0.340 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 1632050258 UMBVWSLMDNNXJD-AWEZNQCLSA-N 409.512 0.690 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)[C@H]3CCOC3)CC2)cc1 1637555426 LMGRNGHMWLXAOF-NTWLCTACSA-N 403.479 0.414 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(=O)N3CCCO3)CC2)cc1 1639082645 CEHRVOPXJHTSBA-BQYQJAHWSA-N 402.451 0.180 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NC[C@]34COCCN3C(=O)COC4)C2)cc1 1674326897 NEUVHTAXPATDKH-MGPUTAFESA-N 404.467 0.201 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2O)[C@H](S(C)(=O)=O)C1 2192665054 RHVNTCQOOMXTJJ-WCQYABFASA-N 402.469 0.926 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)cc1 1124586055 WJXAEZBYMXDAJB-HXUWFJFHSA-N 424.567 0.795 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCOC(=O)N(C)C)CC2)cc1 1146319932 MKOBCJMMJIUMCO-CMDGGOBGSA-N 404.467 0.714 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C3CS(=O)(=O)C3)cc2F)C[C@@H](C)O1 1308006181 CENPHZRWCFZXCS-ZIAGYGMSSA-N 413.515 0.784 10 10 HCCE Cn1nnnc1-c1ccc(NC(=O)C2=S=C(CCNS(C)(=O)=O)C=C2)cc1 1539166197 CYZLWPFWXZTUQJ-UHFFFAOYSA-N 406.493 0.403 10 10 HCCE COC(=O)[C@]1(O)CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 1648148999 RYSSPJWSLITLFK-PZPWOCDFSA-N 423.485 0.665 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](O)Cc3cnn(C)c3)CC2)cc1 786858327 WYHMEVZAFUPTBE-SFHVURJKSA-N 402.451 0.224 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 810090508 OZINWRPSKIPCPQ-UHFFFAOYSA-N 411.572 0.525 10 10 HCCE CN(C)CCN1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O 1313416921 PLFDQHXOXOBMJG-LJQANCHMSA-N 404.559 0.771 10 10 HCCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 1558506235 FHPZUJFGLLPNBY-SFHVURJKSA-N 402.476 0.881 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3C(=O)NCC34CCOCC4)CC2)cc1 1654909378 JOBCRDHXXWCYRE-UYAOXDASSA-N 418.538 0.063 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1 742917509 YTMDOGKNZWYZEK-UHFFFAOYSA-N 403.483 0.264 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](C(=O)C4CC4)C3)CC2)cc1 801542295 FBBBEUZQUAQIHK-CTNGQTDRSA-N 403.523 0.858 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)C[C@@H](C)O)CC2)cc1 1674219293 NACYQDJPZUTMLV-OAHLLOKOSA-N 414.528 0.169 10 10 HCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1683648689 DLCVRFDNKXXXOA-JCNLHEQBSA-N 408.524 0.763 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)cc2)CC1 1155604808 YMZWQTFGUQYUGL-UHFFFAOYSA-N 405.520 0.829 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H]1C1OCCO1 1252843078 FKZFTOOJEKWVBK-KRWDZBQOSA-N 409.508 0.968 10 10 HCCE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 1617865566 BQJNBZZVRYXKME-NSHDSACASA-N 408.432 0.833 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3ccon3)CC2)cc1 1628747931 RKKCMLOIFXZIBQ-UHFFFAOYSA-N 422.507 0.884 10 10 HCCE COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)NC(=O)[C@H]32)c1O 247891650 AWJCEVXGIBHOPK-PTDBIEIZSA-N 412.398 0.706 10 10 HCCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 735073141 GZVJTNMPFKJGFV-GOSISDBHSA-N 411.524 0.551 10 10 HCCE CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCO1 781945330 UKHYTWXFTAXGFH-FQEVSTJZSA-N 415.538 0.875 10 10 HCCE C[C@]12CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@]1(C)C(=O)NC2=O 1307991753 APCMUYXIDKMDKO-NHCUHLMSSA-N 418.469 0.263 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@]4(C)C(=O)NC(=O)[C@]4(C)C3)CC2)cc1 1659736168 DYCFETDWQCACET-HSQYWUDLSA-N 416.522 0.163 10 10 HCCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1142091236 UVCVCMZMBLULAO-QGZVFWFLSA-N 403.458 0.690 10 10 HCCE O=C(NC[C@]12COCCN1C(=O)COC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 1254316429 TYJRPVZFGNCKSE-LAUBAEHRSA-N 419.478 0.711 10 10 HCCE CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1256237275 VYAPPXBKHRKJNM-UXHICEINSA-N 407.559 0.690 10 10 HCCE COc1ccc(N2CCC(NC(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)cc1 1464705060 QALQPVNSRQSEEV-UHFFFAOYSA-N 419.507 0.925 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2)cc1 1641228693 YSINMFHQPUCRJW-DYVFJYSZSA-N 402.426 0.715 10 10 HCCE CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 1645645918 FEMHWVGBYZJAMH-UHFFFAOYSA-N 416.569 0.613 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)N(CCO)C[C@H]3C)CC2)cc1 1653938889 YKNFCMMDCALZTP-SBHAEUEKSA-N 406.571 0.565 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1683425110 MPQOGXJKRMBTEC-YJBOKZPZSA-N 412.556 0.952 10 10 HCCE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1710025170 QRTZKVNJJZPGTK-SFHVURJKSA-N 411.510 0.628 10 10 HCCE O=C(NC[C@@]12COCCN1C(=O)COC2)N(Cc1ccccc1O)C[C@H]1CCCO1 1254316430 TYJRPVZFGNCKSE-UTKZUKDTSA-N 419.478 0.711 10 10 HCCE COC(=O)NC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1312985157 YOEFEVNNTURWEY-UHFFFAOYSA-N 424.523 0.951 10 10 HCCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1622327899 FBNYXHLODZRZBB-NSHDSACASA-N 405.270 0.416 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 1644439181 YBUJUKYBJULOIL-UHFFFAOYSA-N 409.512 0.610 10 10 HCCE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682987199 ZUVAHAVEGGPEFQ-LPHOPBHVSA-N 420.510 0.896 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 1687006106 FEHXQUVWTCBKKP-IRXDYDNUSA-N 424.567 0.518 10 10 HCCE COc1ccc(N2CCN(C(=O)CCNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1873832004 YMGBHRASLYLLTO-HNNXBMFYSA-N 424.523 0.220 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@]4(CCOC4)C3)CC2)cc1 769625368 QHQRPPOFZDPCNX-XYXUZSOXSA-N 415.490 0.918 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)NCCc3nnnn3C)CC2)cc1 772092531 WTAGKBJXXVXGQA-UHFFFAOYSA-N 402.503 0.273 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1 778286765 FDMYKRIPVFAHSI-SIJIIQCFSA-N 400.479 0.637 10 10 HCCE CCN1CC[C@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 802372236 OEKPHQXQAWUCBQ-BLGFXRMMSA-N 400.479 0.637 10 10 HCCE C[C@@]12CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@@]1(C)C(=O)NC2=O 1307991787 APCMUYXIDKMDKO-SFTDATJTSA-N 418.469 0.263 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1471546789 FOAUJWKUYDFYCK-ROUUACIJSA-N 406.531 0.695 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)C[C@@H]1CCCO1 1478945308 PKDSTUBIPQNDGD-AEFFLSMTSA-N 411.524 0.651 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnncc3O)CC2)cc1 1557398529 CWRGCIRWIUCSJB-UHFFFAOYSA-N 421.479 0.073 10 10 HCCE O=C(NCC[C@@]1(O)CCCOC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565011888 QVXLHTFIZKLLRY-IBGZPJMESA-N 411.524 0.652 10 10 HCCE COC[C@]1(CO)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1569205633 NYHSUSZUJOGVAS-VQKOGROQSA-N 417.506 0.757 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)N(C)C)cc1 1637399827 YJADEQODQPIYPU-QGZVFWFLSA-N 412.560 0.145 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@@H]2c1ccc(O)c(O)c1 1864009629 IYDDBFHPZFLENN-MRXNPFEDSA-N 415.450 0.570 10 10 HCCE CN(C)c1ccc(CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1F 812017484 FIJIAXVSNCGXQF-UHFFFAOYSA-N 401.508 0.915 10 10 HCCE NS(=O)(=O)c1ccc(O)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1167762068 FKYCMHZWBVJUCE-UHFFFAOYSA-N 405.476 0.931 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C 1288780655 GVGDYTQYKIPFQC-LBPRGKRZSA-N 410.500 0.319 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC(C)(F)C3)CC2)cc1 1470729918 OPLXZQYFSWSKJQ-UHFFFAOYSA-N 414.503 0.900 10 10 HCCE COC(=O)[C@@]1(OC)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1560009864 GFAOKCXVNVPDMK-HXUWFJFHSA-N 409.458 0.542 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3nc(O)cc(O)n3)CC2)cc1 1641493642 VUKHNMVLHPGHIL-VOTSOKGWSA-N 413.434 0.418 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4nnnn4CC3)cc2)CC1 1686830166 IUNQNEXINAFBCY-MRXNPFEDSA-N 412.498 0.579 10 10 HCCE Cn1cccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 733503474 MXYWLSZDOIIQBU-UHFFFAOYSA-N 403.410 0.834 10 10 HCCE CCc1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n(C)n1 737157951 HPHLGZGTHAYNSL-UHFFFAOYSA-N 414.510 0.868 10 10 HCCE CC1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](CO)O1 1565044576 PNAUGVPRQRKIJH-QGZVFWFLSA-N 411.524 0.603 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 1628857524 BCJLHTVUPLRQJC-SFHVURJKSA-N 403.479 0.893 10 10 HCCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1629381129 TYYVBAGTJDGBBA-DNLHMGNTSA-N 423.491 0.864 10 10 HCCE CCCNC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872628799 QEEKTPQKWBMVPZ-UHFFFAOYSA-N 417.466 0.875 10 10 HCCE O=C(NCC(=O)N1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1ccccc1 169845429 WXFYOCHKSHBANB-UHFFFAOYSA-N 413.430 0.908 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnc(C)cn3)CC2)cc1 1130659960 NXAQWEZNRRWGDO-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 1611962509 NFGLGHZBVZHSDW-UHFFFAOYSA-N 411.510 0.873 10 10 HCCE CCC[C@@H](O)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1640016985 LRTHGWBLOFJCFD-QGZVFWFLSA-N 413.540 0.814 10 10 HCCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1643104260 RTHXPZBPBPSOHB-ZBFHGGJFSA-N 410.423 0.677 10 10 HCCE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1864008719 QLROOMOHGPCVPD-OAHLLOKOSA-N 401.423 0.087 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN(C)CC(C)(C)S(C)(=O)=O)CC2)cc1 754082771 RPSKYGLKEJTBCH-GOSISDBHSA-N 413.584 0.933 10 10 HCCE NC(=O)NC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1252845216 UZWYNTYUVAWZOD-UHFFFAOYSA-N 409.512 0.264 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 1455220704 FIQIWYRPFRWMBJ-UHFFFAOYSA-N 404.492 0.797 10 10 HCCE CN1C[C@@H](NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1 1466410894 UMUHWCHMYQTTNH-YFBAIUBQSA-N 408.480 0.878 10 10 HCCE Cn1cc([C@@H](CO)NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1478945364 QYKTYSFCSWIMRB-QGZVFWFLSA-N 407.496 0.188 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]1C 1517374320 WUGWIXJOTUNYQD-AETAKHFUSA-N 403.479 0.971 10 10 HCCE NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1646431594 PTOJZXKGOCDNFD-UHFFFAOYSA-N 419.503 0.990 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)CC2)cc1 1660499467 OAXOZQZFNRELGZ-FBBABVLZSA-N 423.579 0.545 10 10 HCCE O=C(CN1C(=O)CSC1=S)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1 585335100 OYDVYGQDRSDWQX-UHFFFAOYSA-N 418.504 0.892 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCCOC[C@@H]3C)CC2)cc1 803746495 HFKLDPQIYYKLHQ-KRWDZBQOSA-N 404.511 0.571 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc2cccnc2c1O 1142728486 VGGJHIIOKJUKCE-UHFFFAOYSA-N 408.480 0.391 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-n4cnnn4)cn3)cc2)C1 1358168349 QGCPKABVPVODFP-OAHLLOKOSA-N 406.450 0.689 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)CC2)cc1 1620560444 UMERAHZBKGJKLP-GGPKGHCWSA-N 423.579 0.545 10 10 HCCE CCO[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CN(C)C 1674276362 CHDWLWGRKDUXLN-GOSISDBHSA-N 412.556 0.687 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)[C@H](C)CO)CC2)cc1 1686984395 XAWWYAVOHUAYQG-OAHLLOKOSA-N 414.528 0.169 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C)cn3C)cc2)CC1 1536524210 NZBZNFXVZUBESU-UHFFFAOYSA-N 419.551 0.957 10 10 HCCE Cn1cnc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1=O 1543567680 KXEKCMQVKARBJD-UHFFFAOYSA-N 423.452 0.966 10 10 HCCE COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1638007272 KFFGCOHPPOWMSR-PZJWPPBQSA-N 420.554 0.994 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)N(C)C)cc1 1682734333 LWGLUQNQHVXTRW-INIZCTEOSA-N 400.549 0.051 10 10 HCCE O=C(c1cc(O)c(O)c(O)c1)N1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169846282 OJGMMPMSNZOUNH-UHFFFAOYSA-N 404.375 0.909 10 10 HCCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCC(=O)NCCO 1294691160 QJXZBUPSVHMWHP-UKTHLTGXSA-N 411.480 0.642 10 10 HCCE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 1544408528 FNNUWFZZFYERFM-UHFFFAOYSA-N 422.532 0.725 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1554175838 XWKMMJMGIFEOAY-CYBMUJFWSA-N 408.484 0.120 10 10 HCCE COc1cc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 1858596526 VOMZCQXIHPEWJN-OPWUTIMJSA-N 400.390 0.956 10 10 HCCE CCC[C@H](O)[C@@H](CO)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1141984622 ROZIPYGJCLDAGK-COQIJWMOSA-N 405.495 0.538 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C 1288780654 GVGDYTQYKIPFQC-GFCCVEGCSA-N 410.500 0.319 10 10 HCCE Cc1cn2nc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2c(=O)[nH]1 1464361394 LIOQFOITJNSNBC-HNNXBMFYSA-N 408.462 0.963 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 1570418005 CCZNRBJRNCFKFU-CYBMUJFWSA-N 421.523 0.514 10 10 HCCE COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1687023237 PKHGYGJYIMWANU-QGZVFWFLSA-N 419.526 0.364 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1C[C@@H]2CCCCN2C1=O 1229664668 YJNRBRMPXGDRDP-ZWKOTPCHSA-N 420.535 0.874 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCN3CCCOCC3)cc2)CC1 1312778164 HYPPNMMOLGVJCF-UHFFFAOYSA-N 403.527 0.910 10 10 HCCE O=C1C[C@]2(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CCCC[C@@H]2N1 1312981529 DHEYILJZQQKBBP-FXAWDEMLSA-N 420.535 0.922 10 10 HCCE CN(C)C(=O)NCCN(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796573 LVXCOYNMLJYADX-UHFFFAOYSA-N 411.528 0.334 10 10 HCCE CC(=O)OC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 196429632 DPAXDKFCBLGMIZ-LYYZXLFJSA-N 417.371 0.396 10 10 HCCE NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 770767805 RKLYAPBPZXQWNU-LJQANCHMSA-N 421.567 0.791 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@]3(C)CCOC3)CC2)cc1 803746345 AYADOMUWAUUEAJ-OAQYLSRUSA-N 404.511 0.476 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2)CC1 1288916411 UYQOJNZVYAGELG-UHFFFAOYSA-N 413.482 0.197 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=C(C)N(C)c4nnnn4[C@@H]3C)cc2)CC1 1634074302 LDSCOMARCJKKRL-OAHLLOKOSA-N 424.509 0.943 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1638003969 LMAQYNWCWCDEQU-UHFFFAOYSA-N 402.543 0.402 10 10 HCCE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(O)cc1O 1643100742 JADXPJLDNJUFLO-UHFFFAOYSA-N 408.432 0.854 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](N)CCCNC(=N)N)N2CCCCC2)cc1 1866118172 ALXJACVMJDHRFW-OALUTQOASA-N 403.575 0.986 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1C[C@H]2COC[C@@H](C1)C2=O 1331223437 UOYAAORDROURTL-ALOPSCKCSA-N 406.504 0.779 10 10 HCCE C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(N2CCOCC2)cc1 1356167197 YNNRXOZACKQCSG-BBRMVZONSA-N 400.439 0.714 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 1442621117 XMBPMDGMVUWESI-MAUKXSAKSA-N 415.498 0.452 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCO[C@@H]3C)CC2)cc1 1461397864 OHKPKIFOFSJXRO-CRAIPNDOSA-N 411.524 0.688 10 10 HCCE CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(N2CCOCC2)cc1 1614041293 QCZDGRDRIJBFBB-SFHVURJKSA-N 414.510 0.677 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC([C@H](F)C(N)=O)CC3)CC2)cc1 1654520330 FJIMTLKVKVASRQ-ICSRJNTNSA-N 408.518 0.714 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)C1=O 1534283963 YPWQZWIHRSIAQK-MRXNPFEDSA-N 419.478 0.764 10 10 HCCE COc1ccc(OC)c(N2C(=O)C(=CNCCN3CCOCC3)C(=O)NC2=S)c1 2296125322 AQNIBGKXNULPGQ-UHFFFAOYSA-N 420.491 0.257 10 10 HCCE CCON(CC)C(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252850093 BCWUJCCYAZUFGA-UHFFFAOYSA-N 412.512 0.521 10 10 HCCE O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1307913841 HCZCHTXVNDGMIO-FUHWJXTLSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1 1473831180 AOGOOQQWTMTEOM-AZUAARDMSA-N 404.555 0.978 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(N(C)C)CCC3)CC2)cc1 1632291345 QXEUDIDXTLQXLU-UHFFFAOYSA-N 424.567 0.748 10 10 HCCE COC(=O)/C=C\c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 206250809 XDJQIMOHDBAWEL-HYXAFXHYSA-N 418.450 0.762 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CCc2nnnn2CC1 1478786247 MBLHZKDNOHOIOY-CYBMUJFWSA-N 407.425 0.992 10 10 HCCE CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O 1503282013 KYRTZAZMDWZDTP-UHFFFAOYSA-N 419.511 0.960 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCSC[C@H]1CCO 1683896933 QPYLPGPYJLMNPO-QGZVFWFLSA-N 413.565 0.931 10 10 HCCE CCNC(=O)C1CN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778306735 SGHYJBHSQOULCG-CMDGGOBGSA-N 400.479 0.495 10 10 HCCE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1473678634 APQOCQCOQLIJQZ-KRWDZBQOSA-N 421.517 0.966 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1539302594 VCWSOUWOYYPPSE-MRXNPFEDSA-N 400.439 0.495 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(n2cnnn2)CCOCC1 1628764609 VUUGQLOZSDEHQC-UHFFFAOYSA-N 404.446 0.595 10 10 HCCE CCS(=O)(=O)C1CN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1635437843 IDDIEMNRUSSABH-CMDGGOBGSA-N 421.519 0.546 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)cc1F 1683460470 YTMRUGYIHVPNLC-FQEVSTJZSA-N 422.457 0.294 10 10 HCCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865727976 ZLYRFSHJKSLYHY-NOZJJQNGSA-N 416.434 0.105 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H](CO)C[C@@H]1CCCO1 1478945311 PKDSTUBIPQNDGD-WMZOPIPTSA-N 411.524 0.651 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@@H](O)CN3CCOCC3)C2)cc1 1682188479 RSXQOTJUVPCOED-PKOBYXMFSA-N 406.527 0.856 10 10 HCCE CCOC(=O)c1cc(OC)c(OC)c(OC)c1NC=C1C(=O)NC(=S)NC1=O 59383153 IWGRRPWXORXBTL-UHFFFAOYSA-N 409.420 0.716 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1289423197 HMLAIHPUXJKUBJ-KRWDZBQOSA-N 411.510 0.930 10 10 HCCE CCc1nncn1CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1680000828 VRUXWNRXGDUYRP-UHFFFAOYSA-N 406.512 0.575 10 10 HCCE COc1ccc(N2CCN(C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c(OC)c1 1686218582 AMQJDODTSQTTHD-UHFFFAOYSA-N 412.512 0.427 10 10 HCCE CCN1CC[C@@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 802372237 OEKPHQXQAWUCBQ-CNZFZVQHSA-N 400.479 0.637 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@]3(C)CCOC3)CC2)cc1 803746344 AYADOMUWAUUEAJ-NRFANRHFSA-N 404.511 0.476 10 10 HCCE CNC(=O)NC[C@H]1CCCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1175361903 LRAHYQGWMIMILV-WOJBJXKFSA-N 419.570 0.962 10 10 HCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1303720895 NFWUXNUXIYGRBR-QGZVFWFLSA-N 420.510 0.890 10 10 HCCE NC(=O)c1ncn(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 1354326741 CUUQSSUAARMNJM-UHFFFAOYSA-N 412.372 0.549 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H](CO)[C@H]3CCCOC3)cc2)CC1 1638479365 PEBDJIVWVHNNQA-PKOBYXMFSA-N 404.511 0.975 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN(CC(N)=O)C3CCOCC3)CC2)cc1 1654662058 MQAQMXBCWXLHPN-LJQANCHMSA-N 406.527 0.144 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC([C@@H]4COC(=O)N4)CC3)CC2)cc1 1655760183 AESFGYSYAMYRHZ-CTNGQTDRSA-N 418.538 0.999 10 10 HCCE CC[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006646 NWFVJDYEQWNDCG-SFHVURJKSA-N 424.567 0.831 10 10 HCCE COC(=O)COCCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1150824108 NHPFEBUQANTBJH-BQYQJAHWSA-N 405.451 0.206 10 10 HCCE COc1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(OC)c1 1557822719 IQHUKLDXCWMZCO-UHFFFAOYSA-N 412.512 0.268 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](C(=O)N(C)C)C3)CC2)cc1 1570318328 NPEBIHMUSHGRHF-JJEJIETFSA-N 414.506 0.837 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)n3cccn3)CC2)cc1 1616824995 UYAYJRKDIHSQLO-MRXNPFEDSA-N 421.523 0.721 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCC[C@H]3C=NNC3=O)CC2)cc1 1630632280 RUIJFBKBAPHJHH-FDMDGMSGSA-N 413.478 0.528 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CNS(=O)(=O)N(C)C 1634381484 NOYHKHNDBICYKA-UHFFFAOYSA-N 414.528 0.771 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@H](O)CO)CC3 33902534 IGJIPNOEJDYNRR-ASSNKEHSSA-N 400.383 0.455 10 10 HCCE in-man COCCN(CCN(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565045005 XYNYXAPSEKZTPE-UHFFFAOYSA-N 412.556 0.641 10 10 HCCE Cc1ccc(O)c(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 1641728606 CRZINHDPTCNXPW-UHFFFAOYSA-N 403.460 0.751 10 10 HCCE COc1ccc(N2CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)c(OC)c1 1681705745 OXXZYYLHLXRKDU-UHFFFAOYSA-N 412.512 0.616 10 10 HCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1303722228 BGLGACNQLXGCOX-KRWDZBQOSA-N 420.510 0.890 10 10 HCCE O=C(c1c(F)ccc(O)c1O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1457764321 YJRNEIREGJHLDR-UHFFFAOYSA-N 415.365 0.828 10 10 HCCE O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1c(F)ccc(O)c1O 1611094637 GRCPNGJSOOHZSK-UHFFFAOYSA-N 424.406 0.811 10 10 HCCE CCOC(=O)COCCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1624378493 MMZJUSURAYAODV-HJWRWDBZSA-N 419.478 0.596 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)cc1 1529404326 SUGFFLCZCLPGSY-CQSZACIVSA-N 423.473 0.897 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCSC[C@@H]3C)CC2)cc1 803746261 DAOAYVBMZBNLMZ-INIZCTEOSA-N 406.552 0.897 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nn(C)cc3C)CC2)cc1 1461396373 GYKPLEPCACKCAV-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE COc1ccc2c(c1)c1c(n2CC(=O)NCCOCCS(N)(=O)=O)CCCC1 1556521705 JGPFNSQBVNOBCP-UHFFFAOYSA-N 409.508 0.950 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3CNS(C)(=O)=O)C2)cc1 1683946012 YJLXCKZXKAZLBW-GOEBONIOSA-N 412.512 0.234 10 10 HCCE CCN1CCN(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 916972495 XIROBYVWVKKIAO-UHFFFAOYSA-N 403.571 0.961 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)N(C)C)cc1 1471546772 FNFASPYFJVOCJO-TUNNFDKTSA-N 419.570 0.880 10 10 HCCE COC(=O)[C@@]1(OC)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1565364958 ZRFFGRFCFQQPRN-OAQYLSRUSA-N 418.494 0.862 10 10 HCCE CN(C)C(=O)O[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687006979 SJPUZLVDPIRCPV-KRWDZBQOSA-N 424.523 0.904 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCCCCn3cc(C(N)=O)nn3)C2)cc1 1229979628 MDLXXTQMDTUASR-HNNXBMFYSA-N 415.498 0.992 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@]1(O)CCS(=O)(=O)C1 1564895337 FGAQZSMCDYARJR-QGZVFWFLSA-N 419.450 0.150 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)cc1 1630618858 KNGQHPMZBCASJY-MRXNPFEDSA-N 410.540 0.215 10 10 HCCE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1C[C@@H](CO)[C@@H](CO)C1 1636130201 ZDOQJDBSBNNRKP-TXEJJXNPSA-N 412.489 0.927 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@@H]3CCN(C)C3)CC2)cc1 1640017274 WMTCKUJXJMYTRK-KRWDZBQOSA-N 424.567 0.605 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)CC2)cc1 1640726801 FXSXXUWSMQUYRB-XXCOWLKOSA-N 417.506 0.349 10 10 HCCE O=C(CN1CCC[C@@H]2CCNC(=O)[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1654617052 VDWLITXFPODHQU-UZLBHIALSA-N 404.486 0.879 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CCCN1CCCO 1636796359 DZOJCTNUSOSKLC-IBGZPJMESA-N 424.567 0.567 10 10 HCCE CCCN(C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1640980020 LLYZKFPEMCYXSP-UHFFFAOYSA-N 412.556 0.605 10 10 HCCE COC(OC)C(=O)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1687443870 WORLTKIRWOUURJ-UHFFFAOYSA-N 419.526 0.411 10 10 HCCE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864008718 QLROOMOHGPCVPD-HNNXBMFYSA-N 401.423 0.087 10 10 HCCE NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2278574 SILHPMXJQCPTBA-BUHFOSPRSA-N 405.457 0.955 10 10 HCCE CCOc1ccc(N2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 1446416607 DIDBWSTXIWAUOP-UHFFFAOYSA-N 420.491 0.603 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4[C@H](OC)CS(=O)(=O)[C@H]4C3)C2)cc1 1470593169 KBVJYBIVEBVICP-FDPIWHGQSA-N 423.535 0.975 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccc(S(N)(=O)=O)s3)CC2)cc1 729346897 GQPKMLQHFVVOQQ-UHFFFAOYSA-N 424.548 0.956 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)N(C)C)cc1 1586060049 AWPNKHAREZBDQB-DOTOQJQBSA-N 401.471 0.485 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@](C)(O)C3CC3)CC2)cc1 1640979880 HRKZYMYEEPPPNT-IBGZPJMESA-N 411.524 0.424 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1711095296 HSJAZOJHCCDWTA-CVEARBPZSA-N 422.507 0.938 10 10 HCCE CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 813505564 WAZUPAHZOWWUHI-FQEVSTJZSA-N 402.539 0.968 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CCn3cc(C(N)=O)c(O)nc3=O)C2)cc1 1299771062 YNZYDRDPDDCIAZ-ZDUSSCGKSA-N 415.450 0.089 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(CO)CC3)cc2F)C[C@@H](C)O1 1307915703 WZQMTNUOZVZJCF-HZPDHXFCSA-N 409.502 0.875 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H](CO)[C@@H]1CCCOC1 1478945775 XSYNPEFFUDVPNI-SJLPKXTDSA-N 411.524 0.508 10 10 HCCE Cn1nc(C2CC2)nc1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1528187343 YIJGHWIBQXNJLZ-UHFFFAOYSA-N 403.508 0.786 10 10 HCCE CC(C)(CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)CS(N)(=O)=O 1564895883 YQYQYZRGDDDAAI-UHFFFAOYSA-N 420.482 0.915 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1682188568 UTHXDUPPRGVWGX-KKUMJFAQSA-N 406.483 0.887 10 10 HCCE Cc1nn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)c(CO)c1C 1473039344 CLIYJVJTXPIFRC-UHFFFAOYSA-N 404.442 0.645 10 10 HCCE CCCCS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1596355369 PKEFXJFOBGGLSP-UHFFFAOYSA-N 410.540 0.724 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)[C@H]4CCC[C@H]43)CC2)cc1 1617910294 JWJDWVUEOFCRKA-TYPHKJRUSA-N 423.579 0.830 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1686857008 ZCEKHZXASJRXAY-RDJZCZTQSA-N 405.499 0.861 10 10 HCCE CC[C@H](NC(=O)CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868873645 LYLNXBFPPKWELG-KRWDZBQOSA-N 411.524 0.673 10 10 HCCE CN(C)S(=O)(=O)N1CC(NC(=O)NCc2cccc(Br)c2O)C1 1313098515 KSUHPVHIMHPZNE-UHFFFAOYSA-N 407.290 0.445 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccnc(N4CCOCC4)n3)cc2)C1 1351134891 LKILSTYFYATIMU-QGZVFWFLSA-N 424.505 0.945 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H]3CCOC3)CC2)cc1 1564415485 HWDAVCRRNTTXCB-OAHLLOKOSA-N 412.512 0.235 10 10 HCCE O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3c(O)cccc3F)cc2)CCN1 1596910946 BDKICKRAQJQHSR-UHFFFAOYSA-N 407.423 0.582 10 10 HCCE CO[C@@]1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCS(=O)(=O)C1 1638007769 VQYZKKIFZZRTRC-LJQANCHMSA-N 410.540 0.441 10 10 HCCE COCC(=O)N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1681850215 TUMQYDKMLZAOGB-UHFFFAOYSA-N 412.437 0.802 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864008883 ULZHHZHAQHTCMR-MRXNPFEDSA-N 410.434 0.916 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)C[C@H]3C)CC2)cc1 1299280034 AIMLFQDJCXDSPC-LKGOPFMKSA-N 416.522 0.425 10 10 HCCE COc1cc(N2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC2)cc(OC)c1OC 1458764656 RNAMLDPHWZECHU-UHFFFAOYSA-N 406.439 0.255 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(O)CCS(=O)(=O)CC1 1470903858 AYFMXKVKEUSKDG-UHFFFAOYSA-N 411.524 0.387 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H](C)N1CCO 1684170053 ZJDUFXVXDFXGQA-CALCHBBNSA-N 417.554 0.985 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCC[C@]4(C3)NC(=O)NC4=O)CC2)cc1 789379883 SDOSGHOFQZZXMB-HXUWFJFHSA-N 401.467 0.018 10 10 HCCE COc1cc(N(C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 1167402402 UICCBLXJBYBYRA-UHFFFAOYSA-N 415.512 0.689 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@@H](CO)OC(C)(C)C3)CC2)cc1 1299626942 ICSPTBNYXJWLEP-QWUACUGRSA-N 417.506 0.898 10 10 HCCE CN1C(=O)C[C@@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1=O 1467486230 XBJOIKVOWZMOJH-LLVKDONJSA-N 409.445 0.742 10 10 HCCE Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1570168142 ONPOEXQBXDSZJV-UHFFFAOYSA-N 414.434 0.717 10 10 HCCE CN(C)c1nccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1685876605 NSFYSAQOUDXOED-UHFFFAOYSA-N 418.523 0.777 10 10 HCCE COc1cc(O)c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC 768440935 IAYLFCURADVZCE-UHFFFAOYSA-N 401.485 0.104 10 10 HCCE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(O)c(O)c1 1150488295 OQOSUOSIMFCPRO-BMIGLBTASA-N 400.478 0.546 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCc3ncnn3C)CC2)cc1 1631102275 HAEMGSYXZOWVMA-KTKRTIGZSA-N 412.494 0.778 10 10 HCCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248227892 JWWHULJRGLHMCL-LDNFRZNASA-N 420.418 0.745 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cc(S(N)(=O)=O)c(C)o3)CC2)cc1 755647771 FRJAAPZAVNGHPH-UHFFFAOYSA-N 422.507 0.796 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCCCS1(=O)=O 1597572096 KTBOVPHTPCLXDI-UHFFFAOYSA-N 404.872 0.973 10 10 HCCE CCn1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1640016990 MBUCMPXRIIAEIX-UHFFFAOYSA-N 421.523 0.793 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCC4)cc2)C1 1527734046 BFZLMBNHSQVHMC-INIZCTEOSA-N 412.494 0.399 10 10 HCCE [N-]=[N+]=NCCN(CCC(=O)O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2086865127 NSYJLDVYKNFBMS-CYBMUJFWSA-N 414.378 0.679 10 10 HCCE COCCCS(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 770474726 FUYDRKOCVNVFSD-UHFFFAOYSA-N 414.440 0.414 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)[C@@]3(OC)CCS(=O)(=O)C3)cc2F)CC1 1352969999 OUDJHBVKACLUCD-LJQANCHMSA-N 413.515 0.788 10 10 HCCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 1585143358 KVXAVEFNPSTKRB-UWVGGRQHSA-N 419.415 0.620 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1682188569 UTHXDUPPRGVWGX-SOUVJXGZSA-N 406.483 0.887 10 10 HCCE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)CCOc2ccc(N)cc2)C1 2162565306 QMOMLVQRQMYPIH-UHFFFAOYSA-N 401.485 0.549 10 10 HCCE O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)O)N[C@@H](c4ccc(O)cc4O)[C@@H]3C2=O)c1 226985501 UGVOSROMMQJALH-FXUDXRNXSA-N 412.354 0.699 10 10 HCCE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 775975477 OZBFODYQQQOJFQ-OLZOCXBDSA-N 400.453 0.946 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H](C)O1 1251105144 RLTUDFBYYMXOLE-KSSFIOAISA-N 418.494 0.860 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2)cc1 1565056273 SYMKSRJDVWCCOF-PLMTUMEDSA-N 404.511 0.799 10 10 HCCE COC(=O)[C@]1(OC)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1565364956 ZRFFGRFCFQQPRN-NRFANRHFSA-N 418.494 0.862 10 10 HCCE COCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1437454069 PBOWJZWGIIZSPI-UHFFFAOYSA-N 411.524 0.690 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)C2)cc1 1470593143 JQIXHNPAKIDFFA-CYBMUJFWSA-N 422.511 0.684 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cn(C)cn3)CC2)cc1 1557398940 JEAAFRNFLCGXCV-UHFFFAOYSA-N 407.496 0.311 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@@]1(O)CCS(=O)(=O)C1 1564895336 FGAQZSMCDYARJR-KRWDZBQOSA-N 419.450 0.150 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CNC3(C(N)=O)CCOCC3)cc2F)C[C@@H](C)O1 1643744917 WAYSSNMILVLWBF-HUUCEWRRSA-N 422.501 0.680 10 10 HCCE C[C@@]1(CO)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@]1(C)CO 1687632849 VLQPMEDSOLGDKA-SZPZYZBQSA-N 418.538 0.911 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ncc[nH]4)CC3)CC2)cc1 1139590371 RXMOUGWOSQXPMY-SREVYHEPSA-N 424.505 0.972 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)C2)cc1 1312834220 SNSRGFDCPIPSHW-AWEZNQCLSA-N 400.501 0.126 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2)cc1 1641228694 YSINMFHQPUCRJW-GUYCJALGSA-N 402.426 0.715 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3ncc[nH]3)CC2)cc1 1644652077 IAFSMRUUCFLUQU-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]4CCNC(=O)[C@@H]43)CC2)cc1 1659922402 WIBNRJVRUHUECY-SLYNCCJLSA-N 402.539 0.779 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 1868588698 FPAPWPRRPZCFAG-OAHLLOKOSA-N 409.508 0.285 10 10 HCCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)NC(C)C)CC2)cc1 1872683368 UPPOUQJRZUZYGZ-UHFFFAOYSA-N 403.439 0.944 10 10 HCCE CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)CC1 1144752989 UDBRRGNTTZFODC-UHFFFAOYSA-N 406.464 0.756 10 10 HCCE Cn1cc(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(O)nc1=O 1312833133 FPTDERPBBPDEFU-UHFFFAOYSA-N 409.393 0.600 10 10 HCCE COC(=O)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C 1654840008 AJHAINSZLZZXJB-LJQANCHMSA-N 419.457 0.516 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)C2)cc1 1687025605 SLDAUUQPLRICEO-LBPRGKRZSA-N 408.484 0.436 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCC(=O)C3)CC2)cc1 1300444340 NGJWKTJFFJLNDN-HNNXBMFYSA-N 409.508 0.632 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CCCCC(=O)C3=O)cc2)C1 1358168496 SFZYUEOEFPEHNR-INIZCTEOSA-N 400.479 0.586 10 10 HCCE CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1534540855 RXVLWIFDWASXLV-IRXDYDNUSA-N 422.551 0.676 10 10 HCCE COC(=O)[C@@H]1CC[C@@H]1NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1597088341 LTVKVOCHJUTSBW-UIVAWZFMSA-N 401.463 0.968 10 10 HCCE COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@](O)(C(=O)O)[C@@](O)(CO)C2 14660170 PGFBYAIGHPJFFJ-FFZOFVMBSA-N 422.386 0.048 10 10 HCCE biogenic COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)CN3CCOCC3)CC2)cc1 743362561 FQQMYHDSVIOUKY-SFHVURJKSA-N 405.543 0.837 10 10 HCCE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 760863386 CUNWPYHEOFOFGC-IAGOWNOFSA-N 416.526 0.991 10 10 HCCE CNC(=O)[C@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1469198849 AXEQMCFNQSFMAX-PTZVLDCSSA-N 400.479 0.495 10 10 HCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1636058473 DGAMPJMOFYHFNQ-QWHCGFSZSA-N 401.481 0.530 10 10 HCCE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)O1 1646250868 LWTHDPPFEFOCRQ-QRTARXTBSA-N 414.480 0.799 10 10 HCCE CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(Br)ccc1O 796190832 LBROBCSMBFMJAO-UHFFFAOYSA-N 401.304 0.513 10 10 HCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1540486960 HOTSJFPKEKCOIA-UHFFFAOYSA-N 420.491 0.916 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)CCN1 1625534363 URBDJHXCJRBUKF-UHFFFAOYSA-N 405.432 0.400 10 10 HCCE CC[C@@H](CO)N1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779222180 IQMZZESIWCAVTE-FPOVZHCZSA-N 406.571 0.567 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)C[C@H]3CCC[C@H]3O)CC2)cc1 803749231 FVNJWOSHFLDENW-YLJYHZDGSA-N 418.538 0.553 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(C[C@H]2CCOC2)nn1 1538662164 POFCYABADYOALA-MRXNPFEDSA-N 419.507 0.479 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)C2)cc1 1300633746 LURNNNBYVKCXQG-LBPRGKRZSA-N 406.464 0.259 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCc4c(O)nn(C)c4C3)CC2)cc1 1308002254 BNIDMWWMLIWRDA-QGZVFWFLSA-N 401.511 0.676 10 10 HCCE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cc(O)ccc2O)c1 1455347067 JGBVVXQUUMKRAY-UHFFFAOYSA-N 407.448 0.394 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)cc1 1564912547 IDBPIGIIWWYNEB-CQSZACIVSA-N 401.471 0.744 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCc3nnc4n3CCC4)cc2)C1 754911667 VPTOSCNCDYSAQM-INIZCTEOSA-N 411.510 0.968 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCOC[C@H]4C3)cc2)C1 758386743 HMURJODUKFDQGD-IEBWSBKVSA-N 401.511 0.614 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1 849192454 MYYPLSPSFSVKFM-UHFFFAOYSA-N 417.510 0.654 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N(CCO)CCN3CCOCC3)C2)cc1 1230299994 ANISVIQLEALHFH-GOSISDBHSA-N 406.527 0.858 10 10 HCCE CC1=C(C)C(=O)N(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O 1300544483 TWJKFGSPVARZLJ-UHFFFAOYSA-N 419.503 0.633 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)NCCCS(N)(=O)=O)cc2F)C[C@@H](C)O1 1564993763 WFIRFMLHDMFIEZ-CHWSQXEVSA-N 402.492 0.917 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1nnc2n1CCOC2 1682015748 CVGAKEIGBWIZQA-UHFFFAOYSA-N 420.495 0.043 10 10 HCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195852 QQJFCOUQPZEYJR-LSDHHAIUSA-N 419.450 0.413 10 10 HCCE CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(N)=O 769165970 XSLNMOBOWLEWOD-IBGZPJMESA-N 401.511 0.215 10 10 HCCE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 767187011 UKNYMOUVALPRQC-UHFFFAOYSA-N 402.538 0.671 10 10 HCCE C[C@@H](NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 803311252 NUGFBDRUBHKDNC-APWZRJJASA-N 402.495 0.243 10 10 HCCE CCN1C(=O)CO[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[C@H]1c1ccnn1C 1138152845 RFHKQVARVHDXSR-DPMMWBKBSA-N 402.451 0.867 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CN3CCCCS3(=O)=O)CC2)cc1 1352408829 FFHIOMKSFVOVDN-UHFFFAOYSA-N 424.567 0.749 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1 1687643438 UXWMXJJYBVGHBO-UHFFFAOYSA-N 420.557 0.830 10 10 HCCE CN1CCn2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2S1(=O)=O 1142234633 AMPNEMHEKYHBAC-UHFFFAOYSA-N 405.480 0.284 10 10 HCCE C[S@](=N)(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1473777275 YPPNCSZMOGLPHG-MUUNZHRXSA-N 413.519 0.488 10 10 HCCE CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCS(=O)(=O)C1 1696251400 LUBDOPJKPDTMOK-SFHVURJKSA-N 410.496 0.706 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)CN3CCN(C)CC3)CC2)cc1 730122173 CFSMSKZSZHQGSZ-LJQANCHMSA-N 418.586 0.752 10 10 HCCE Cn1cc(C2=NO[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cn1 1517371471 BHVFVVZWDQAFEI-DNVCBOLYSA-N 410.478 0.931 10 10 HCCE O=C(CN1CCN(Cc2nc[nH]n2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1659250327 DTGJSLSDUFLVTP-UHFFFAOYSA-N 417.489 0.214 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)CC1 1684969990 AOABKPVDZOERMQ-UHFFFAOYSA-N 409.556 0.615 10 10 HCCE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1=NN(CCO)C(=O)CC1 769163845 FUMIEQWGZLGZQY-UHFFFAOYSA-N 413.522 0.806 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nn1 1138230163 HZZDMEPXJQVPIX-GOSISDBHSA-N 400.483 0.648 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1439960015 JFUSQGPIFCHMHS-RTBURBONSA-N 403.527 0.599 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)CC1 1638007787 WPKKOTMHYGIZBI-HXUWFJFHSA-N 422.551 0.538 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCS(=O)(=O)C3CC3)CC2)cc1 1638066105 CRRIIUQVBKUGRM-CMDGGOBGSA-N 421.519 0.593 10 10 HCCE Cc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892783 ZRBSIZMISHWQKT-UHFFFAOYSA-N 410.452 0.726 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCc3cscn3)CC2)cc1 786623021 DWNLWKCFUQZCLR-UHFFFAOYSA-N 417.535 0.749 10 10 HCCE Nc1c(C(=O)OCC(=O)N2CCNC(=O)C2)ccc2c1C(=O)c1ccccc1C2=O 915550486 JKPPEKQYOBREKT-UHFFFAOYSA-N 407.382 0.159 10 10 HCCE COc1cc(N2CCN(C(=O)C3(OC)CS(=O)(=O)C3)CC2)cc(OC)c1OC 1536632968 CORCLNNABSBKEW-UHFFFAOYSA-N 414.480 0.175 10 10 HCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1584506970 JVVBAQGVFDCONM-KRWDZBQOSA-N 408.524 0.429 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C)c4c(cnn4C)c3=O)cc2)CC1 1634074264 KTEUWMRXLQODNX-UHFFFAOYSA-N 422.489 0.871 10 10 HCCE CONC(=O)C1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1648240459 GOVZLBJBVDLMEE-IBGZPJMESA-N 406.527 0.568 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC3CCC4(CC3)NC(=O)NC4=O)cc2)CC1 1682212407 GYFURUOIEWJWEE-UHFFFAOYSA-N 414.510 0.758 10 10 HCCE C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 726977074 WYVKUNKWGKGFHT-OAHLLOKOSA-N 401.554 0.988 10 10 HCCE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 804192016 NWXDCJRDHWCOER-LBPRGKRZSA-N 405.498 0.260 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCN3C(=O)CCNC3=S)cc2)C1 1464363770 SNUSSYWTVGNTIE-OAHLLOKOSA-N 417.535 0.501 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC(=O)NCC34COC4)cc2F)C[C@@H](C)O1 1560120882 KHTLFAXQHTUDQO-GASCZTMLSA-N 420.485 0.256 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@@](=O)C1 1565044159 JHMHJNNEZDTDRD-PVPMGCCUSA-N 413.565 0.831 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1639621387 CDNDWLDNLCBIRK-CABCVRRESA-N 403.460 0.592 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@@H](CC(N)=O)C3)cc2F)C[C@@H](C)O1 1654418958 SWCJWVVQGZKURF-INMHGKMJSA-N 422.501 0.632 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1655338223 OSVWEICWHJZTSA-IBGZPJMESA-N 408.568 0.564 10 10 HCCE COC(=O)[C@@H]1[C@@H](C(=O)OC)N(c2ccc(OC)cc2)[C@@H](C(=O)OC)[C@@H]1C(=O)OC 169615910 STWLDDHSRULJQM-NMWPEEMBSA-N 409.391 0.177 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)cc1 790165337 WUKXERFRBHXRKF-ICTHTSFCSA-N 412.490 0.639 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)nn2)O1 1136984157 JIPGOCIMFPSWSE-AWEZNQCLSA-N 418.429 0.417 10 10 HCCE COC(=O)[C@H](CCF)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452775887 JJRQVXXMMOFQJC-QWPQOLDESA-N 407.442 0.917 10 10 HCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccc(N2CCC(O)CC2)c(F)c1 1618647798 IRQKZCNMKISKFI-UHFFFAOYSA-N 403.458 0.798 10 10 HCCE COc1ccc(C(=O)NC2=S=C(C(=O)NCCC3CS(=O)(=O)C3)C=C2)cc1 682560627 DKYUWLBWVLQPSE-UHFFFAOYSA-N 408.501 0.581 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3cnc(O)n(C)c3=O)CC2)cc1 751567627 QAUVQRQVMBDYRT-UHFFFAOYSA-N 401.467 0.437 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)Cn3nc(C(N)=O)ccc3=O)cc2F)C[C@H](C)O1 1341813217 BEPNOAURKRBBTM-STQMWFEESA-N 417.441 0.411 10 10 HCCE COc1cc(N2CCN(C(=O)NC[C@H]3CC(C(N)=O)=NO3)CC2)cc(OC)c1OC 1478620021 BCNHPBVLGYAJAS-CYBMUJFWSA-N 421.454 0.174 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 1528317279 FDGOZXSSWBGNIN-CYBMUJFWSA-N 405.480 0.535 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]4OCCNC(=O)[C@@H]43)CC2)cc1 1648125186 YRCGRAAGUPLYRF-CEWLAPEOSA-N 418.538 0.158 10 10 HCCE NS(=O)(=O)c1n[nH]cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1451051916 YWEFMHHMBUDARG-UHFFFAOYSA-N 401.395 0.102 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H](CO)[C@H]1CCOC1 1565044768 SSXMEKDHGYBHTI-IRXDYDNUSA-N 411.524 0.366 10 10 HCCE NC(=O)c1cnn2c(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)ccnc12 1570168211 UNEGTNNMHCXGMS-UHFFFAOYSA-N 416.388 0.873 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)N(C)C)cc1 1586054638 KZNHPEGGCMOXIW-GNVJSZRZSA-N 414.506 0.634 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCC[C@@H]3C=NNC3=O)CC2)cc1 1630632283 RUIJFBKBAPHJHH-ROJDOSBLSA-N 413.478 0.528 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCS(N)(=O)=O)cc2F)C[C@@H](C)O1 1648221676 BELRQXBTSRLRJZ-ZIAGYGMSSA-N 416.519 0.276 10 10 HCCE COC(=O)COc1ccc(N(C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 1654116620 FWBWUEORZKACDH-UHFFFAOYSA-N 413.496 0.215 10 10 HCCE Cn1ccn2c(CNC(=O)NCc3ccc(N4CCC(O)CC4)cc3)nnc2c1=O 1684140815 BIWZXBXXXHBLFL-UHFFFAOYSA-N 411.466 0.389 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865032736 JNDWBWIGZFQOPO-HNNXBMFYSA-N 415.450 0.422 10 10 HCCE O=C(O)CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)SC1=S 2088004 BZKVBCJXMJDPNQ-FPLPWBNLSA-N 406.488 0.868 10 10 HCCE Cc1cc(Cl)cc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1O 775709555 HYBTUWYPNSGTDE-INIZCTEOSA-N 415.943 0.775 10 10 HCCE COC(=O)[C@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778248816 ZBQCOTYQVWHSLS-WAVCKPEOSA-N 401.463 0.922 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)cc1 778410279 LNJJIEUOXVPZPK-LQYUOIDQSA-N 401.467 0.169 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCC[C@@]3(C)NC(=O)NC3=O)CC2)cc1 1544314758 GLPCUYAWKIGSJA-OAQYLSRUSA-N 417.510 0.702 10 10 HCCE O=C1NC(=O)[C@H]2CN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C[C@@H]12 1628055599 UKHMUUDBWNGGRR-TXEJJXNPSA-N 421.456 0.599 10 10 HCCE COC(=O)c1cc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n(C)n1 1631443119 UNLGJUMIXXRFPK-UHFFFAOYSA-N 401.467 0.767 10 10 HCCE COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c(O)c1 1635042778 SHJZCDIOUTVELX-BMIGLBTASA-N 400.478 0.806 10 10 HCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 778916938 STGCKGACXWESRO-ZNMIVQPWSA-N 410.492 0.824 10 10 HCCE Cc1nccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 793718267 IEUYJTIRJCRGIU-INIZCTEOSA-N 410.478 0.419 10 10 HCCE Cn1c(=O)c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)nc2n(C)c1=O 1167763131 YHZUOHPVHJILFX-UHFFFAOYSA-N 423.473 0.523 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(C)CCN(C)CC3)CC2)cc1 1198111898 KCWAWQWOZCJRJB-NRFANRHFSA-N 405.587 0.357 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CN(c2ccncn2)C1 1682594424 BAJBSPDIIIGOAR-UHFFFAOYSA-N 416.507 0.399 10 10 HCCE CNC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCO1 781945331 UKHYTWXFTAXGFH-HXUWFJFHSA-N 415.538 0.875 10 10 HCCE CCN(CC)c1ccc(CNC(=O)CCn2cc(C(N)=O)c(O)nc2=O)cc1F 1465006513 OCVMTCUNGXBANV-UHFFFAOYSA-N 405.430 0.740 10 10 HCCE CO[C@@H]1COCC[C@@H]1N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682582793 JHUSTHDSTQPLJD-ZWKOTPCHSA-N 411.524 0.867 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1684142324 WZZAPVPTCNCXPE-HXUWFJFHSA-N 423.535 0.747 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033191 UITUJASEBHLAFH-OAHLLOKOSA-N 400.435 0.947 10 10 HCCE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)cc1F 1298056388 OTPFQPLCCMVBKP-CQSZACIVSA-N 401.446 0.419 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H](C)n2nnnc2N1C 1544929547 GFUPDBZDMRCZJU-GDBMZVCRSA-N 424.509 0.976 10 10 HCCE Cc1cn2nnc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2c(O)n1 1141995971 DYOXCZDFZGIVIA-AWEZNQCLSA-N 409.450 0.770 10 10 HCCE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1308051445 UHQSFFZVKKEUAX-UHFFFAOYSA-N 422.441 0.195 10 10 HCCE COCCN1C[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1535157850 ZYAPBKQQYUZZQL-KRWDZBQOSA-N 402.495 0.499 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3ccnc3C)CC2)cc1 1557399540 URKWRLSFFRGRTO-UHFFFAOYSA-N 421.523 0.468 10 10 HCCE CN1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C1 1618466202 KWHZFRHCLAYIDJ-QRWLVFNGSA-N 400.483 0.638 10 10 HCCE CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 789827710 UWCIKHGUPHZHEU-NEDKSNMVSA-N 413.515 0.940 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)NCCNC(C)=O 1597566899 DFSFJPICLODUHE-UHFFFAOYSA-N 413.858 0.580 10 10 HCCE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)cc1F 1617665385 FYMSNPGXXROAFJ-HIFRSBDPSA-N 415.473 0.794 10 10 HCCE COC(=O)[C@@H]1CSCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1660179202 AEJQBOJAEWEPEJ-MJGOQNOKSA-N 409.552 0.769 10 10 HCCE CN1CCOC[C@@]1(CO)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683018154 GQFOEZOXDWWIIG-IBGZPJMESA-N 414.453 0.294 10 10 HCCE O=C1NC(=O)N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@@H]12 1686724179 MNJGAFFKCMVHPL-AWEZNQCLSA-N 409.393 0.247 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@H]([C@@H](C)O)C3)CC2)cc1 803746286 DORTUIIPAUXILL-MSOLQXFVSA-N 418.538 0.553 10 10 HCCE CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1618483163 TYUIUFHGYRBMOM-OAHLLOKOSA-N 415.473 0.761 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]4CCNC(=O)[C@@H]43)CC2)cc1 1659922400 WIBNRJVRUHUECY-HFSMHLIXSA-N 402.539 0.779 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 1570227964 YDTAFJUGGIVDJF-UHFFFAOYSA-N 411.506 0.564 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C(N)=O)c3ccccn3)CC2)cc1 1624833221 YNVCEJJCXOIARH-GLCJEOIMSA-N 423.473 0.638 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1F 1631377421 MYFNNMHORZZOIA-RDJZCZTQSA-N 401.442 0.913 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 1662777566 PTAFUEBBYOHJRM-LJQANCHMSA-N 420.535 0.538 10 10 HCCE COc1ccc(N2CCCN(C(=O)NCc3nnc4c(=O)n(C)ccn34)CC2)cc1 1684956289 YLHVDXAZNVPQME-UHFFFAOYSA-N 411.466 0.859 10 10 HCCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703980372 KLYZJMVZWVNPDB-UHFFFAOYSA-N 416.459 0.182 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1CCC[C@H](C(=O)OC)C1=O 1162540144 QSRGAOUGXVSGIL-HNNXBMFYSA-N 406.435 0.696 10 10 HCCE CNC(=O)NC[C@@H]1CCCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1175361902 LRAHYQGWMIMILV-VQTJNVASSA-N 419.570 0.962 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1444988341 OYTCGYZOPIFTSW-OLZOCXBDSA-N 423.424 0.564 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn([C@@H]2CC[C@H]2O)nn1 1453074217 KLYCYKHBRMFWAQ-IAGOWNOFSA-N 405.480 0.139 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)C2)cc1 1129993218 LKRVUIHAGZVJHV-CZUORRHYSA-N 400.439 0.651 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)cc1 1161074109 TUTRLJZHUUZABD-QQUYBBDPSA-N 400.479 0.685 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CCS(=O)(=O)N(C)C 1303334485 UDCGYBHQBWGZIC-UHFFFAOYSA-N 424.527 0.650 10 10 HCCE COc1cc(N2CCN(C(=O)[C@@]3(F)CCS(=O)(=O)C3)CC2)cc(OC)c1OC 1538076538 NDTCJZBBLNHOJJ-GOSISDBHSA-N 416.471 0.888 10 10 HCCE CC1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](CO)O1 1565044575 PNAUGVPRQRKIJH-KRWDZBQOSA-N 411.524 0.603 10 10 HCCE CS(=O)(=O)c1cccc2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCC2 1596677102 QODGZSXZOVYEQQ-UHFFFAOYSA-N 421.500 0.867 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)n3ccnc3)CC2)cc1 1628746958 CXHYFJCCFUAFIR-INIZCTEOSA-N 421.523 0.721 10 10 HCCE COC(=O)c1cc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)ccc1N(C)C 1652164962 HPZHRLDLDFAMSV-UHFFFAOYSA-N 413.496 0.458 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CN(C)CCO3)cc2)CC1 1668581867 RBLKISMSZLSTEB-IBGZPJMESA-N 410.540 0.105 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NC3CN(S(=O)(=O)N(C)C)C3)C2)cc1 1683339839 HRRMYKCNYHHMTN-AWEZNQCLSA-N 411.528 0.311 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H](NC(N)=O)C3)CC2)cc1 763001707 MLHPOIOAQDFINQ-INIZCTEOSA-N 404.515 0.660 10 10 HCCE COc1ccc(N2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c(OC)c1 1175512086 HWZHPSRYIWWXFA-UHFFFAOYSA-N 416.522 0.907 10 10 HCCE COC(=O)[C@H]1C[C@H](O)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1307903949 BDOMQUPXMORAIY-HOTGVXAUSA-N 409.458 0.134 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)CNC(C)=O)C2)cc1 1436971627 OBRZTKCTHXSXON-QFBILLFUSA-N 402.495 0.765 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN1S(C)(=O)=O 1683701656 GTMDNXFOUHXEGY-MRXNPFEDSA-N 409.556 0.614 10 10 HCCE O=C(O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccc(O)cc2O)N[C@H]3C(=O)O)c1 106937956 UGVOSROMMQJALH-YHUYYLMFSA-N 412.354 0.699 10 10 HCCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccc(N6CCS(=O)(=O)CC6)cc5)[C@H]1[C@@H]3[C@@H]42 800436858 MQOJCYRGZMYMTQ-ZBSQAIIZSA-N 412.511 0.865 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC(F)(F)C[C@@H]1CO 1230798754 KGDCGTOEQUMIRW-OAHLLOKOSA-N 403.451 0.833 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 1456938657 XHMIPQYFGBSXDI-QGZVFWFLSA-N 408.528 0.184 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1625146231 XHFZJOCBAKNUJN-LJQANCHMSA-N 401.511 0.182 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2Cc3ccccc3OCC2=O)c1 1645157807 GPMLDLSVWMIBOO-UHFFFAOYSA-N 419.459 0.915 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CCCC1 1687006885 PKGCECLFBUMEOC-HNNXBMFYSA-N 408.524 0.732 10 10 HCCE C[C@@H](C(N)=O)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827075 QPMAWGGGWUWFRR-XBFWFABISA-N 405.457 0.953 10 10 HCCE CS(=O)(=O)NCC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 806512177 NUJCQOWRMPFOEW-UHFFFAOYSA-N 410.540 0.994 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cn(C)cn3)C2)cc1 1142797528 ARLGZJRRWPPROF-CQSZACIVSA-N 407.496 0.350 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1314753745 YACUNULSFRZENJ-AWEZNQCLSA-N 417.495 0.699 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCS(N)(=O)=O)cc2)CC1 1634074188 JOOVMOURYIULHT-UHFFFAOYSA-N 410.540 0.820 10 10 HCCE CNC(=O)CC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1470754716 ULQKVPALSGEKJU-UHFFFAOYSA-N 422.551 0.979 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1503487064 DYZQQECTBLXOEJ-LSDHHAIUSA-N 419.507 0.801 10 10 HCCE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 1617865564 BQJNBZZVRYXKME-LLVKDONJSA-N 408.432 0.833 10 10 HCCE Cn1c(=O)c2c(ncn2CCC(=O)NCc2c(O)ccc3ccccc23)n(C)c1=O 1635965202 QBYIHZILVHFOIU-UHFFFAOYSA-N 407.430 0.999 10 10 HCCE CC(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCOCC1 1638916828 NJLASNKPZWFHJV-HNNXBMFYSA-N 413.496 0.767 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCNC(C)=O)[C@H]2c1ccc(O)c(O)c1 1864009376 GHQPSAQKRZMPEY-INIZCTEOSA-N 415.450 0.570 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCOC[C@@H]3C[C@H](C)O)CC2)cc1 768293083 FPFHTJXABDSHHJ-HKUYNNGSSA-N 406.527 0.999 10 10 HCCE CN1CCN(C)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1478945318 PPYJUEQTGVBWAU-UHFFFAOYSA-N 423.583 0.310 10 10 HCCE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682987201 ZUVAHAVEGGPEFQ-VQIMIIECSA-N 420.510 0.896 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@]3(CCO)CCOC3)CC2)cc1 778349364 CIDXPFNNXHVHDO-DYRFGFBLSA-N 417.506 0.805 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 789859599 AWHGDDMSKJSVQC-OAHLLOKOSA-N 404.536 0.935 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1230799666 UGHCYNRLHYADAJ-INIZCTEOSA-N 410.540 0.129 10 10 HCCE COc1cc(N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2)cc(OC)c1OC 1624803968 GGRYVKPLGVBYBF-UHFFFAOYSA-N 401.467 0.915 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)CCN(C)CCO)CC2)cc1 1634111038 KMNJIXPXZLWWRD-CMDGGOBGSA-N 404.511 0.283 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)cc1 1682188188 JECLDGFBXDLANB-IERDGZPVSA-N 418.494 0.449 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCc2nccnc2C1 1682582860 LXECWVOMZBENMN-UHFFFAOYSA-N 401.492 0.979 10 10 HCCE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1296245986 ISIJZOFTWBXDFZ-GDLVEWKHSA-N 414.505 0.934 10 10 HCCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@@]1=O 1636796347 DJXYIVVVHJITFP-HAWMADMCSA-N 413.565 0.974 10 10 HCCE CO[C@@H]1C=C[C@@](CNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 238836272 GTYKWPJCYMZBFQ-ZAAXVRCTSA-N 414.466 0.897 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(CC(N)=O)CCC3)CC2)cc1 778316830 BKXPSDJYWPMDCD-FPLPWBNLSA-N 400.479 0.814 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H](C)C1 789845266 VESMVVBRXZBPET-AWEZNQCLSA-N 420.485 0.482 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1470019017 CBJLWPAFSQHUBF-KBPBESRZSA-N 407.496 0.491 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H](CO)C3CCOCC3)cc2)CC1 1565363836 ZJADWCKSTWRPFT-IBGZPJMESA-N 404.511 0.975 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)nn3C)CC2)cc1 1616824207 NVIYDJJALSSIKM-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE COCCCNC(=O)[C@H](C)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761892671 YSHIOKPGDPUGCU-ZDUSSCGKSA-N 421.454 0.589 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C(=O)NCc3ccnn3C)cc2F)CC1 788504981 IHTAZYYVEUZYJS-UHFFFAOYSA-N 402.474 0.634 10 10 HCCE CC(=O)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 808529863 WVEJZXRRETWVKA-MRXNPFEDSA-N 411.208 0.917 10 10 HCCE CC[C@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O 14686596 YCGOFCMTIPNCPZ-BMFKHSARSA-N 402.355 0.896 10 10 HCCE biogenic COc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(C)=O)C[C@H]3C)CC2)cc1 804318026 WISKGXVICCXCMQ-OAHLLOKOSA-N 402.495 0.859 10 10 HCCE Cn1ncc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1-n1cnnc1 1141996437 UZMHYHUWWXXSPF-OAHLLOKOSA-N 408.466 0.633 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](O)[C@H](CO)C3)CC2)cc1 1570398483 FYETXWVDNSJCIT-FQEKARNZSA-N 403.479 0.102 10 10 HCCE CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 797430988 DXTIDQUAHGFNCS-UHFFFAOYSA-N 419.506 0.767 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCC(=O)N3CCC(O)CC3)CC2)cc1 1292281626 FQZIZYVYYHYZQO-UHFFFAOYSA-N 418.538 0.697 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(=O)cc[nH]3)CC2)cc1 1644651876 BVDOWZXSDJNYAJ-UHFFFAOYSA-N 420.491 0.265 10 10 HCCE CN1CCN(c2ccc(CNC(=O)COc3ccc(S(N)(=O)=O)cc3)cc2)CC1 1651024217 MXUWHUBSJFJOMQ-UHFFFAOYSA-N 418.519 0.781 10 10 HCCE CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 784129616 ANSLPAWEKIVJHT-UHFFFAOYSA-N 409.556 0.567 10 10 HCCE CS(=O)(=O)CCCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636330331 BHJMVSCZZUHLHD-UHFFFAOYSA-N 417.553 0.545 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C3C[C@H]4COC[C@@H](C3)C4=O)nc12 740396481 CFHNTDVUBYMYSB-YOGCLGLASA-N 403.391 0.897 10 10 HCCE CNC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 772462309 RHJILKZGGPRQBG-UHFFFAOYSA-N 420.495 0.186 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC(N2CCCC2=O)C1 1478944413 AYHAGSFMBZVSDD-UHFFFAOYSA-N 406.508 0.438 10 10 HCCE COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c(O)c1 1635042781 SHJZCDIOUTVELX-ZUZCIYMTSA-N 400.478 0.806 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCC3(CO)CCOCC3)cc2)CC1 1638479121 LXDASHTXXPRVAH-UHFFFAOYSA-N 404.511 0.977 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 786688758 VTSUIKANARVAMB-UHFFFAOYSA-N 424.567 0.941 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C(=O)OC 1256236953 NGIBJDYHHYNNGV-KURKYZTESA-N 420.510 0.959 10 10 HCCE CCO[C@H](CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)CN(C)C 1455564243 ZDIAEIDDKGLGMH-JPMGXVIASA-N 418.538 0.983 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)CCN3CCOC3=O)cc2)CC1 1663366282 YQWODGJDNSKVCZ-UHFFFAOYSA-N 410.496 0.227 10 10 HCCE CS(=O)(=O)NC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682986585 JBMFPXVWAWCVDB-INIZCTEOSA-N 410.540 0.728 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)N(C)C)cc1 1685686385 MCWPYBWNEBTJMF-ROUUACIJSA-N 412.556 0.810 10 10 HCCE CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878411 AONKPQUWNADQLD-UHFFFAOYSA-N 401.408 0.322 10 10 HCCE CCN(CCS(C)(=O)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470752220 HGIUAKRLJOQZAG-UHFFFAOYSA-N 417.553 0.498 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(O)c3O)c2)CCN1 1471643029 CQWUZVZJDRHYIM-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COc1cc(N2CCN(C(=O)NCCN3CCNC3=O)CC2)cc(OC)c1OC 1479342868 CKVBTJGJXLVGPR-UHFFFAOYSA-N 407.471 0.569 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1(N2CCOCC2)CC1 1634914018 XWWHLVRWZQIHEV-UHFFFAOYSA-N 422.551 0.585 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](O)C[C@@]3(C)CO)cc2F)C[C@@H](C)O1 1655124520 MZFYFLVWLWMGHN-SZUSHISOSA-N 409.502 0.873 10 10 HCCE CCS(=O)(=O)NCCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1681849513 BTLMKQARDBICDC-UHFFFAOYSA-N 420.482 0.930 10 10 HCCE COCCN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1685244957 ZFGWRTNDOKCHII-UHFFFAOYSA-N 417.510 0.389 10 10 HCCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029992 ZUJTXBKDGSJOIE-HNNXBMFYSA-N 400.435 0.682 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCc2ccnc(O)c2C1 789801960 XPXFGJAORUQLFV-UHFFFAOYSA-N 414.437 0.964 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1465532749 OYTCGYZOPIFTSW-STQMWFEESA-N 423.424 0.564 10 10 HCCE NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1556946259 BFZMBBSFBICIMY-CYBMUJFWSA-N 418.466 0.333 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)cc1F 1595483011 QYMFDXRXGWZXJO-ZDUSSCGKSA-N 400.476 0.398 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CN2CCNC(=O)C2)NC(=O)OC(C)(C)C)cc1 1618253595 OVLABCURPSWSMQ-QGZVFWFLSA-N 419.526 0.866 10 10 HCCE CC(=O)NCCC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802788 LYVXMXJLVPYSRU-KRWDZBQOSA-N 423.425 0.404 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)COC1 1291870549 HOAKENHUEXSUBE-HNNXBMFYSA-N 409.508 0.066 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3C(=O)OCC3(C)C)CC2)cc1 1623585463 HACVHQXXYZSFRX-CSHXORCISA-N 401.463 0.968 10 10 HCCE C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(N2CCOCC2)cc1 1626978539 UCNWSPGUGPAPST-CYBMUJFWSA-N 420.491 0.569 10 10 HCCE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NCc1ccc(N(C)C)cc1 749557214 FLBQXYMLQJKOGE-FPAYPSAMSA-N 403.479 0.794 10 10 HCCE C[C@@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 804260332 GGNORRYGYOHSMG-APWZRJJASA-N 417.554 0.989 10 10 HCCE COC[C@]1(CO)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1638478922 JJEDYGZEZWBMOR-OAQYLSRUSA-N 404.511 0.929 10 10 HCCE O=C(CN1CCO[C@H](C(=O)C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 801543296 WDZOWOQSCAIMMU-IBGZPJMESA-N 405.470 0.958 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCc3ncn(C)n3)CC2)cc1 1143214586 HDPFRFDHURLYGU-MDZDMXLPSA-N 412.494 0.778 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC3(C)COC3)CC2)cc1 1682525894 MHTIMWHZKGNNIT-UHFFFAOYSA-N 412.512 0.235 10 10 HCCE CNC(=O)Cn1cc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1 743363577 UIPFECHXQBPFMS-UHFFFAOYSA-N 415.498 0.581 10 10 HCCE O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 789859693 DZJNYCPRQKGITO-SFHVURJKSA-N 404.536 0.399 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3[C@H](CO)CC[C@H]3CO)CC2)cc1 1469497040 HFICDZGDZRISQH-XDIYQJDNSA-N 403.479 0.244 10 10 HCCE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 787330091 HIRLEAWRCWLBAY-YRNRMSPPSA-N 404.486 0.864 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CC3(O)CCCC3)CC2)cc1 803748684 HGLGMTJONDFWHH-UHFFFAOYSA-N 418.538 0.697 10 10 HCCE CCC[C@H](O)[C@@H](CO)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1141984621 ROZIPYGJCLDAGK-AMQGLKLZSA-N 405.495 0.538 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 1301350074 LHORBQIGPYKMHH-UHFFFAOYSA-N 416.503 0.762 10 10 HCCE CCOC(=O)[C@H](COC)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1558358164 YHUFLJAVNROZSR-BBVFFXRHSA-N 419.478 0.594 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H]3CCN(C(N)=O)C3)CC2)cc1 1627061887 RCNJULNBUMIBST-WLMCBFPDSA-N 415.494 0.417 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@]4(CNC(=O)C4)C3)CC2)cc1 790165340 WUKXERFRBHXRKF-WMWRJIBUSA-N 412.490 0.639 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@]2(CCOC2=O)C1 1683897288 XHFJZLWUQSZXIB-IBGZPJMESA-N 407.492 0.770 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CNC(=O)c3ncccc3O)cc2)CC1 1596355483 RROZTRREAGZTFT-UHFFFAOYSA-N 411.462 0.535 10 10 HCCE COc1cc(N2CCN(CC(=O)N=[S@@](C)(=O)N(C)C)CC2)cc(OC)c1OC 1645222988 AMYSBKAIQRZKGR-MUUNZHRXSA-N 414.528 0.935 10 10 HCCE COc1cc(N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc(OC)c1OC 759223631 RWOBWNMQWLNMDI-UHFFFAOYSA-N 420.466 0.691 10 10 HCCE CCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc2c1c(=O)n(C)c(=O)n2C 773766539 OZMZZRIKGUDCNE-NSHDSACASA-N 412.446 0.967 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 788313077 PIAIDERMVCSSTJ-QGZVFWFLSA-N 401.385 0.665 10 10 HCCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN(C)S(=O)(=O)N(C)C)cc1 1136480251 GONOKLHICQYIOW-SFHVURJKSA-N 412.556 0.998 10 10 HCCE COC[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)O1 1230799869 XXSGLZHJQDBWKZ-QAPCUYQASA-N 411.524 0.867 10 10 HCCE COCc1n[nH]c(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1469878840 KMUNQEGCBSHDFD-FPLPWBNLSA-N 414.466 0.481 10 10 HCCE COC(=O)[C@]1(OC)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1560009863 GFAOKCXVNVPDMK-FQEVSTJZSA-N 409.458 0.542 10 10 HCCE C[C@@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 1687632819 UUGSSWSXQMSVQD-IAGOWNOFSA-N 417.554 0.985 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)cc1F 753730396 IHTZFQWVSMJQMT-QPJJXVBHSA-N 402.426 0.594 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cn3)cc2)CC1 786263170 TXRCPGNPJSCMAL-UHFFFAOYSA-N 417.491 0.328 10 10 HCCE CN(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1468816954 QHORWQFSKDAGII-CQSZACIVSA-N 417.478 0.537 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1637461592 WPJJEAKTXIHWFL-VGPLMAKISA-N 402.494 0.849 10 10 HCCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21 2313656585 IJPJEBALQSXVFT-UHFFFAOYSA-N 400.460 0.660 10 10 HCCE CCOC(=O)C1(O)CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 754050486 KWDKHRZLBFCOOD-LJQANCHMSA-N 421.538 0.568 10 10 HCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1141995930 CLXKDDCEAFLHNN-WBVHZDCISA-N 420.510 0.890 10 10 HCCE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1747754608 TYPKPNZOYPXODE-HXUWFJFHSA-N 401.467 0.894 10 10 HCCE NC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1327909481 YSXFZENTPBZNJL-UHFFFAOYSA-N 423.516 0.499 10 10 HCCE CO[C@]1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)C1 1535156053 DGBCWQHXFOYNLT-LJQANCHMSA-N 409.508 0.208 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(O)nc3)CC2)cc1 1640016565 AZUQHAIBZMOGIP-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE CC[C@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006645 NWFVJDYEQWNDCG-GOSISDBHSA-N 424.567 0.831 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 1618648989 WBCGOXKWEAXMNR-INIZCTEOSA-N 421.469 0.815 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(O)(COCCO)CC3)CC2)cc1 1654834719 UCCUKDQHRDZCMX-FQEVSTJZSA-N 423.554 0.014 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864020435 ZAROEXIFJZRNMW-OAHLLOKOSA-N 401.467 0.766 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 744350375 GFYYFYDXANHYRI-LRMKFPBYSA-N 413.474 0.895 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3cc(C)cn3)CC2)cc1 1278549647 YRLGQRPFDDGHTB-UHFFFAOYSA-N 421.523 0.468 10 10 HCCE O=C(NCCN1CCCS1(=O)=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683017981 AYWMOFFAXNFNJM-UHFFFAOYSA-N 418.466 0.636 10 10 HCCE COCCn1nnc2c1CCN(C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2 1683701772 LRYXKOXXVZHQFT-UHFFFAOYSA-N 413.526 0.944 10 10 HCCE CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1741678836 KQFNQNFHDMXKMZ-UHFFFAOYSA-N 403.462 0.606 10 10 HCCE CCN1CCN(c2ccc(CNS(=O)(=O)CCCS(C)(=O)=O)cc2F)CC1 740892510 VIEOKTMYMGSCCX-UHFFFAOYSA-N 421.560 0.822 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C(C)=O)C[C@H]3C)CC2)cc1 778371375 PYZHBIOZIZCODO-KBOKABMXSA-N 414.506 0.979 10 10 HCCE Cc1cc(C(=O)NS(=O)(=O)c2cnnn2C)ccc1NC(=O)C1=S=CC=C1 781742149 VULJFIHEAVAHAD-UHFFFAOYSA-N 405.461 0.458 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 1527891321 JIPLHFAIPTZSBN-QRVBRYPASA-N 423.535 0.831 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](CO)c3cncn3C)CC2)cc1 1630599690 QXEBERTUIVBNIC-ZEVQVBBLSA-N 413.478 0.483 10 10 HCCE CN=[S@@](C)(=O)CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1647768229 XRQXHAJXQRYEHM-JTEDLNRPSA-N 408.524 0.744 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCCO 1696701213 XJJDAQSKDJISAE-MRXNPFEDSA-N 424.523 0.921 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2F)CC1 746228360 BIIWGGDIZCKDPM-UHFFFAOYSA-N 405.474 0.914 10 10 HCCE O=C(CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)N1CCOCC1 768198245 PQDYUUVRWAUTOZ-UHFFFAOYSA-N 406.502 0.639 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCc3nnc4n3CCOC4)CC2)cc1 790668167 AQVPZVWZKHBLJZ-UHFFFAOYSA-N 415.498 0.438 10 10 HCCE COC(=O)[C@@H](CCF)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452775881 JJRQVXXMMOFQJC-IWAYRVGRSA-N 407.442 0.917 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3coc(CS(C)(=O)=O)n3)cc2)CC1 1632946531 ZBSYWIHYBPFIQP-UHFFFAOYSA-N 420.491 0.818 10 10 HCCE Cc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892781 QKZIHONYFXHUEE-UHFFFAOYSA-N 411.436 0.991 10 10 HCCE CC[C@H](O)[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1165639163 PMDBFXSLKXHHAR-YJBOKZPZSA-N 413.540 0.670 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1460742441 WRGZEXPBWGCCPU-KRWDZBQOSA-N 424.448 0.545 10 10 HCCE COc1ccc(C(=O)NC2=S=C(C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C=C2)cc1 1462398255 AFXICMWDBLGGPV-MQMHXKEQSA-N 408.501 0.722 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@@H](NC(C)=O)C3)CC2)cc1 1469194506 CAUCZKWDLXUGQI-ZPUOCTKUSA-N 400.479 0.637 10 10 HCCE COC[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCO1 1478545308 GAOABOMMAPOLDS-ROUUACIJSA-N 411.524 0.915 10 10 HCCE CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1508378532 SFNIDJHCJJOENK-CYBMUJFWSA-N 424.527 0.757 10 10 HCCE CC[C@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O 257646486 YCGOFCMTIPNCPZ-HCZRMRHYSA-N 402.355 0.896 10 10 HCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 919850584 SOJMAJRJQRWKJH-HNNXBMFYSA-N 410.540 0.722 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3[nH]nnc3C)CC2)cc1 1300443510 GPAXTSGQBYQBSI-UHFFFAOYSA-N 408.484 0.004 10 10 HCCE CC1(Cn2cc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)nn2)COC1 1535156350 HMUJEBUZMCOIKK-UHFFFAOYSA-N 412.494 0.946 10 10 HCCE CC[C@@H]1COCCN1CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683734873 QGYNXZBQTDDIAH-GOSISDBHSA-N 424.567 0.831 10 10 HCCE O=C1N=c2ccccc2=C1NN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 38183396 LHVIXAKHWGWDGL-FYWRMAATSA-N 406.448 0.683 10 10 HCCE CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(CC(N)=O)[C@H]3c3ccc(O)c(O)c3)C2=O)cc1 251922284 BEXVEHDPURURQN-GBESFXJTSA-N 411.414 0.992 10 10 HCCE COc1c([N+](=O)[O-])ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 774838409 UUBOCOYBNISBLR-UHFFFAOYSA-N 416.456 0.004 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)C(=O)NC(C)C)CC2)cc1 1557026774 RUPIZDCKWHHQRP-SCOAYWHSSA-N 402.495 0.929 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 1640771036 GIAPXICYEZYPJO-UHFFFAOYSA-N 408.480 0.459 10 10 HCCE COc1cc(C=C2SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)cc(OC)c1O 2314540911 AYZSVNMLMOKKHN-QMMMGPOBSA-N 412.445 0.939 10 10 HCCE COc1cc(N2CCN(C(=O)C(=O)NCc3ccnn3C)CC2)cc(OC)c1OC 788505056 RFETWBRDFOQNJI-UHFFFAOYSA-N 417.466 0.411 10 10 HCCE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1 1171948894 HRMNGLUDQFAIAZ-KDOFPFPSSA-N 409.458 0.541 10 10 HCCE CC(=O)NC[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1229781798 PRBZFTSMWVACIV-OAHLLOKOSA-N 412.437 0.848 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N(CCO)C1CCOCC1 1470751444 CJNVZIVMQOAKSW-UHFFFAOYSA-N 411.524 0.604 10 10 HCCE [N-]=[N+]=NCOCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2080389402 QAZOWYMLKTVSFQ-LLVKDONJSA-N 400.351 0.701 10 10 HCCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NN1CCOCC1 2313683234 VFQYCMQSMPEQQI-UHFFFAOYSA-N 403.395 0.971 10 10 HCCE COc1ccc(N2CCN(c3ncnc(N4CCN(CCO)CC4)c3N)CC2)cc1 40727651 WHRYTNDLOUAUGN-UHFFFAOYSA-N 413.526 0.508 10 10 HCCE COc1ccc(N2CCN(c3nc4c(c(O)nc(=O)n4C)n3CC(C)=O)CC2)cc1 606631052 UEGYTNYNJLARTO-UHFFFAOYSA-N 412.450 0.760 10 10 HCCE COc1cc(N2CCN(C(=O)c3nc(O)nc(O)c3OC)CC2)cc(OC)c1OC 1153840743 IWCCWADNVXAPDE-UHFFFAOYSA-N 420.422 0.885 10 10 HCCE COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC2)c(OC)c1 1586630621 OLSMTCUTSQRXBS-UHFFFAOYSA-N 400.501 0.091 10 10 HCCE O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)NCc1ccc(N2CCOCC2)c(F)c1 1620647873 GCCGMLOOGZVEAU-NHCUHLMSSA-N 420.529 0.810 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H](O)C[C@]3(C)CO)CC2)cc1 1645960748 PFVZMDHELWGHCB-UXTXJKSZSA-N 403.479 0.244 10 10 HCCE COCCONC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1681990959 ZCMJBYKLZXZHQT-UHFFFAOYSA-N 416.500 0.024 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1684366848 SIHRBFAPOWWNGC-ZQIUZPCESA-N 407.515 0.721 10 10 HCCE CCS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1684973454 SJYSSVDGPQOKPY-UHFFFAOYSA-N 409.556 0.615 10 10 HCCE CCn1ncn(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1468547453 LYQVFYDYTILURD-CMDGGOBGSA-N 400.439 0.048 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C4CCC3(C(N)=O)CC4)CC2)cc1 1472173144 PZVKWVYDAUMPKC-SREVYHEPSA-N 412.490 0.909 10 10 HCCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 778916936 STGCKGACXWESRO-RBSFLKMASA-N 410.492 0.824 10 10 HCCE COCCN1C(=O)/C(=C\N[C@H](C)c2ccc(-n3cncn3)cc2)C(=O)NC1=S 920979443 NHJYGJGDAKBFPD-CDCQXCROSA-N 400.464 0.692 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C3=CN(C)S(=O)(=O)N=C3C)CC2)cc1 1136453895 AUCZPLGBBLYWBH-UHFFFAOYSA-N 421.523 0.468 10 10 HCCE C[C@@H]1CN(CCO)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470754131 PUSUYJKNCYXAQS-MRXNPFEDSA-N 410.540 0.129 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCC=CO3)CC2)cc1 1640017053 PLCBOTWSNGBZCN-GOSISDBHSA-N 409.508 0.956 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4n3CCOC4)CC2)c(OC)c1 1248373409 VQHRKTYTEMDWSX-UHFFFAOYSA-N 402.455 0.857 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC3(CC(N)=O)CC3)CC2)cc1 1299567120 JUASIWOLINLNPQ-SREVYHEPSA-N 400.479 0.672 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)C1CCOCC1 1565044619 RAMIGECNQMBFBG-SFHVURJKSA-N 411.524 0.508 10 10 HCCE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2cc(C)ccc2O)s1 1645800632 NGRMWNMRBMOFKZ-UHFFFAOYSA-N 411.505 0.993 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1655013347 UNKQHGIWRSWNHU-AMVBQIFNSA-N 423.485 0.976 10 10 HCCE Cn1cc([C@H](O)CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1684169218 KERDUUYNYQGIBK-GOSISDBHSA-N 400.483 0.655 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(C(=O)C(OC)OC)CC3)C2)cc1 1686855876 ALXDWNAINFWCQM-INIZCTEOSA-N 420.510 0.994 10 10 HCCE CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1692558583 GNKAUZZJZIOTLB-ZDUSSCGKSA-N 424.527 0.755 10 10 HCCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 1858039372 QETHLGRSMYYRPZ-UHFFFAOYSA-N 424.523 0.584 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1164597525 QCFATBKTAWFTRB-UHFFFAOYSA-N 407.496 0.734 10 10 HCCE CCc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1498728567 SARCTLJCEGHVKS-UHFFFAOYSA-N 422.555 0.711 10 10 HCCE O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)NCc1ccc(N2CCOCC2)c(F)c1 1620647872 GCCGMLOOGZVEAU-LEWJYISDSA-N 420.529 0.810 10 10 HCCE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C 1636797006 VFADXZGTKDIQJS-RRFJBIMHSA-N 408.524 0.728 10 10 HCCE CN(C)S(=O)(=O)N1CC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 1637399728 VUYSBOVAMPMPGX-MRXNPFEDSA-N 412.512 0.573 10 10 HCCE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)CCOc1ccc(N)cc1 2181128878 JMEIRGCMIODNIC-QGZVFWFLSA-N 403.501 0.843 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2233978622 VBUMMMHXIFLRQY-SOUVJXGZSA-N 401.485 0.029 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 728748793 HVYSBTKPZVLYLJ-GOSISDBHSA-N 406.483 0.401 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 1296400649 SVHWYHDIVBFGIK-SFHVURJKSA-N 422.551 0.643 10 10 HCCE CS(=O)(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 1312954298 PATPPKLFMXTKKG-KRWDZBQOSA-N 410.540 0.728 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](O)C3CCC3)CC2)cc1 1452975668 RBTVWGGDQFXAKU-SFHVURJKSA-N 411.524 0.424 10 10 HCCE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1710025169 QRTZKVNJJZPGTK-GOSISDBHSA-N 411.510 0.628 10 10 HCCE CNC(=O)CCOC1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 752095498 QWZVTXSEIUHDBQ-UHFFFAOYSA-N 418.538 0.961 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 1456938651 XHMIPQYFGBSXDI-KRWDZBQOSA-N 408.528 0.184 10 10 HCCE COc1cc(N2CCN(C(=O)CCCn3c(O)nnc3O)CC2)cc(OC)c1OC 1466733122 WIAUQVXNSFHGSL-UHFFFAOYSA-N 421.454 0.844 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1558723284 LYLIXTMUULMHAB-SFHVURJKSA-N 411.572 0.648 10 10 HCCE CN(C)CCN1C[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1=O 1570167950 AKHWCADJUOZYLO-HNNXBMFYSA-N 410.465 0.828 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 727251322 RQJBEIAQZUBUTL-UHFFFAOYSA-N 417.554 0.187 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3c(C)c(C)nn3C)CC2)cc1 746378950 GTBOMJOJJHXYCD-UHFFFAOYSA-N 414.510 0.922 10 10 HCCE COCCN1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 787362964 JICPWHJNMVRLMI-UHFFFAOYSA-N 404.511 0.525 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@H]([C@H](C)O)C3)CC2)cc1 803746288 DORTUIIPAUXILL-ROUUACIJSA-N 418.538 0.553 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1246301885 IKMHVCUCWSJDAP-HZPDHXFCSA-N 419.526 0.694 10 10 HCCE CC(C)(C)n1nnc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1278765406 JJAIDAVHJJFSGP-UHFFFAOYSA-N 406.512 0.522 10 10 HCCE Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1511896797 UCYVSAZCEFHPPG-UHFFFAOYSA-N 420.539 0.553 10 10 HCCE NS(=O)(=O)CC1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1565127486 UDPHRKOODYGUID-UHFFFAOYSA-N 410.540 0.858 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc2)CC1 1638485544 YRQCQNBTOYKDPT-QGZVFWFLSA-N 423.539 0.351 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1638488894 PSOCXRAYGFYWFG-SFHVURJKSA-N 422.551 0.123 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCCN3C)CC2)cc1 1165638992 NBRRYIJPRCHTLP-IBGZPJMESA-N 424.567 0.748 10 10 HCCE CO[C@]1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCS(=O)(=O)C1 1616253083 ZXMUHLKBJAPPON-LJQANCHMSA-N 409.508 0.175 10 10 HCCE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1633185883 FAZLWHNDNJPBSZ-SFHVURJKSA-N 413.496 0.109 10 10 HCCE CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 477582433 TYMCGGVADACLEF-UHFFFAOYSA-N 417.553 0.953 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCN3CCOC3=O)CC2)cc1 778257769 KJRGQMXLSOGMME-FPLPWBNLSA-N 416.478 0.859 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCc3nncn3C)CC2)cc1 1159188334 SIKDJMAQOFPLTM-MDZDMXLPSA-N 412.494 0.778 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)c(OC)c1 1169973131 BWRFCZYEDZJJQC-MAUKXSAKSA-N 413.478 0.782 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@]12COCCN1C(=O)COC2 1230200141 HGKIHVLWTXUDFZ-IIBYNOLFSA-N 404.511 0.919 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)CC2)cc1 1303831799 ZUIVDHUXQIALKH-PEKVAWNSSA-N 417.506 0.681 10 10 HCCE COc1cccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c1O 1630366246 NCOZBYMEGZXMQN-YGRLFVJLSA-N 400.478 0.806 10 10 HCCE CNC(=O)CN(CC(=O)NC)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1633845823 RZQICTXLDHHEGI-UHFFFAOYSA-N 400.479 0.849 10 10 HCCE O=C(c1c(F)ccc(O)c1O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1648595225 DUXJGOVRRPTEPR-UHFFFAOYSA-N 403.414 0.826 10 10 HCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1464362443 OUKGIYJULWFGCL-RDJZCZTQSA-N 410.540 0.578 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCCCS1(=O)=O 1556102002 NHCRWCSQADKJTQ-ZDUSSCGKSA-N 400.453 0.114 10 10 HCCE COC[C@]1(C(=O)OC)CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1654229013 CLWDWWAGVCTAHM-NRFANRHFSA-N 423.485 0.933 10 10 HCCE CCOC(=O)[C@H]1CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 754043743 VFHRDKBBUZXCOL-UYAOXDASSA-N 407.511 0.442 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN4C(=O)OCC[C@H]4C3)CC2)cc1 754080320 FCXJXAHEOAFWPN-RBUKOAKNSA-N 404.511 0.705 10 10 HCCE Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1O 775650364 YYBCLDQHLUIBPM-OAHLLOKOSA-N 422.956 0.989 10 10 HCCE CN(C)CCCN(C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793722701 VYDSLYQWHYPUTQ-KRWDZBQOSA-N 403.527 0.415 10 10 HCCE CCN1CCN(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)C(=O)C1=O 1632702243 YALPUPRFUQEMIV-UHFFFAOYSA-N 411.842 0.238 10 10 HCCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865027811 LOWUSNQYRWBQOV-QGZVFWFLSA-N 413.478 0.998 10 10 HCCE NC(=O)COC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1230798508 HMARJSQXRQAZTA-UHFFFAOYSA-N 424.523 0.097 10 10 HCCE O=C(CN1CCCCC(=O)C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1461460983 MMXMBDRAJKIBCZ-UHFFFAOYSA-N 407.492 0.119 10 10 HCCE O=C(CN1CCN(c2ncns2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1654490809 FAIZXWJAKKPUQA-UHFFFAOYSA-N 420.514 0.952 10 10 HCCE Cn1cnnc1N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1683018103 FHJPCMDMHTYCIO-UHFFFAOYSA-N 421.452 0.962 10 10 HCCE [N-]=[N+]=NCOCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2080391068 QAZOWYMLKTVSFQ-NSHDSACASA-N 400.351 0.701 10 10 HCCE COC[C@](C)(CCO)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 778434870 WZXUQICXIJDGHD-SHBDEGQCSA-N 405.495 0.804 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=COCCO3)CC2)cc1 1130864598 BOJCDBITYOOHOO-UHFFFAOYSA-N 411.480 0.151 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCc2nnc(O)cc2C1 1470751469 DLLHUJOWSQAETC-UHFFFAOYSA-N 417.491 0.685 10 10 HCCE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1685608847 IHYLUWNBRSCASR-MRXNPFEDSA-N 412.498 0.928 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCn4c(O)nnc4C3)cc2F)C[C@H](C)O1 771811037 CEVOCWJZGIWQJI-KBPBESRZSA-N 418.473 0.868 10 10 HCCE Cn1cc(C2=NO[C@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)cn1 1133847263 JNFXQQPXLZXMDJ-IBGZPJMESA-N 410.478 0.931 10 10 HCCE CC[C@@H](O)[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1165639160 PMDBFXSLKXHHAR-CRAIPNDOSA-N 413.540 0.670 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4[C@@H]3CCCN4CCO)CC2)cc1 1176807769 ALAQBISCXQPMPT-PMVMPFDFSA-N 418.582 0.709 10 10 HCCE CCOC(=O)[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCOC1 1301737968 SJROWKBFMBAQQU-QGZVFWFLSA-N 400.453 0.853 10 10 HCCE COC(=O)CCCONC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1558572422 CGBHYRYHJTYXPT-MDZDMXLPSA-N 405.451 0.901 10 10 HCCE CNS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1675079064 DHJXLLDNPWYRFE-UHFFFAOYSA-N 423.583 0.957 10 10 HCCE CC(=O)N1C(=O)C(=C2SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)c2ccccc21 2314541490 MNXBXMQPECEOTR-SNVBAGLBSA-N 419.440 0.480 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCc3nnc4n3CCC4)CC2)cc1 778245490 HFXJORKLMBKUBD-CMDGGOBGSA-N 424.505 0.797 10 10 HCCE CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1246303902 SFMBOJQQJHJNRF-UHFFFAOYSA-N 409.556 0.662 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(OC)(OC)[C@H](O)C3)CC2)cc1 1654636854 FWSSESVVTKKQCX-AZUAARDMSA-N 409.527 0.234 10 10 HCCE CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1687441360 KIHHLARXCDPQCA-SFHVURJKSA-N 409.556 0.662 10 10 HCCE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 788933838 YPZCSULACGQDFE-UHFFFAOYSA-N 416.522 0.999 10 10 HCCE NC(=O)c1ccc(/C=C/C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 1278765567 MSOXJTOCZAXLHV-SOFGYWHQSA-N 403.460 0.943 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CNC(=O)c3ncccc3O)cc2)CC1 1634074623 RDHDYWNFLBWVHS-UHFFFAOYSA-N 411.462 0.502 10 10 HCCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1641201114 QTCFWCBQOVVMQW-CQSZACIVSA-N 421.523 0.364 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@@H]3C(=O)NN=C3C)CC2)cc1 1136653711 FIBZZNSLWMROAU-DVBCCOPCSA-N 413.478 0.528 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1682582637 GGZHTPBJIDOLDX-MRXNPFEDSA-N 411.480 0.005 10 10 HCCE CC1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCN1CCO 1683731133 MUZGRNFPMVZROX-UHFFFAOYSA-N 424.567 0.520 10 10 HCCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCS(C)(=O)=O 2200952210 HHSUMVVDFUPVCG-LBPRGKRZSA-N 402.469 0.694 10 10 HCCE COC[C@@H](C(N)=O)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 817935195 CZXLBFWENVYOET-LBPRGKRZSA-N 413.477 0.827 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCC4)cc2F)CC1 1359920072 HKXRWIJZAVADHV-UHFFFAOYSA-N 416.501 0.979 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 1479185635 PFYNRJBEIBXBHZ-UHFFFAOYSA-N 424.571 0.072 10 10 HCCE COC(=O)c1cn(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 1635201551 NMANNEVMIDJNOX-QGZVFWFLSA-N 403.487 0.733 10 10 HCCE CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1637229235 WBJVMZORHNEVTM-SFHVURJKSA-N 410.540 0.871 10 10 HCCE COC[C@@]1(CO)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1638478921 JJEDYGZEZWBMOR-NRFANRHFSA-N 404.511 0.929 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)cc2)C1 793720577 PLKAJLOVZXPWBD-NJAFHUGGSA-N 414.506 0.519 10 10 HCCE COC(=O)[C@@H]1CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 1195757815 OMLAUOKUGWHOQG-HQRMLTQVSA-N 407.511 0.440 10 10 HCCE O=C(NC[C@]12COCCN1C(=O)COC2)N(Cc1ccccc1O)C[C@H]1CCCO1 1254316428 TYJRPVZFGNCKSE-DYESRHJHSA-N 419.478 0.711 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCN(C)C1 1303334622 XIXISSIINGOXTD-FQEVSTJZSA-N 402.499 0.825 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(N[C@@H]4CCOC4)C3)CC2)cc1 1635940438 BLELRPNVLJWSTH-JTGQJZMRSA-N 414.506 0.489 10 10 HCCE O=C(CN1CCC[C@H]2OCCNC(=O)[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1644267268 DBEABRVECQICBR-QUCCMNQESA-N 420.485 0.258 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN=S(C)(C)=O)CC2)cc1 1645077225 CSXMBYMWNZAIDM-HJWRWDBZSA-N 408.524 0.744 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O 1646434263 AIFPLJGACSRKSS-SFHVURJKSA-N 403.479 0.676 10 10 HCCE CO[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCOC1 1674276437 FVCJJAJYPXXWCF-SJLPKXTDSA-N 411.524 0.772 10 10 HCCE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881917 AFVJIPLFGRGORU-UHFFFAOYSA-N 410.452 0.726 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)cc1 778286770 FDMYKRIPVFAHSI-YHWKNFMLSA-N 400.479 0.637 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)CC2)cc1 787329358 DAWRKXJOSHXUBB-BVPXEZJJSA-N 402.539 0.764 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 1452833166 INXHHSHXFCAZGE-NVXWUHKLSA-N 423.535 0.625 10 10 HCCE COC(=O)NC1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1643963291 DBZWWCHKJZKGPD-IBGZPJMESA-N 406.527 0.999 10 10 HCCE NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 787330073 HIRLEAWRCWLBAY-FTRWYGJKSA-N 404.486 0.864 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCN(C)C1 1303334623 XIXISSIINGOXTD-HXUWFJFHSA-N 402.499 0.825 10 10 HCCE O=C(CSCC(=O)N1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1 1633789342 IEFDMGAHLDWGCF-UHFFFAOYSA-N 407.536 0.856 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@]3(O)CCOC3)CC2)cc1 1640754296 QNWPNACWLIFYBM-NGXITPROSA-N 403.479 0.558 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@]4(C)C(=O)NC(=O)[C@@]4(C)C3)CC2)cc1 1659736167 DYCFETDWQCACET-BULFRSBZSA-N 416.522 0.163 10 10 HCCE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](C(=O)O)([C@H](C)O)[C@@H]2C1=O 253380865 BXVYSHJMVQZRDA-WQWSPGPQSA-N 406.435 0.651 10 10 HCCE COc1ccc(N2CCC(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 804319653 QORXKOGMZGISLO-GOSISDBHSA-N 402.495 0.323 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C\[C@@H]3CCOC3)CC2)cc1 1130864673 CUXFLVVHSMTEJO-ZTSSLWBESA-N 423.535 0.856 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O 1134885344 BTWALQLMGYEKFP-MSOLQXFVSA-N 404.511 0.883 10 10 HCCE Cc1ncc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1153442857 CQHIWBCWLYTHNB-UHFFFAOYSA-N 403.508 0.719 10 10 HCCE O=C(CCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CC1 1469571616 GRFHUUDSTOAPGP-UHFFFAOYSA-N 408.524 0.779 10 10 HCCE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)Cc3ccc(O)c(O)c3)CC2=O)C1 1558694259 MGEDCNNXLVVAEM-ZDUSSCGKSA-N 405.451 0.977 10 10 HCCE COc1cc(N2CCN(C(=O)[C@@H](O)Cc3cnn(C)c3)CC2)cc(OC)c1OC 787270050 SQXAIDZEDPDELS-INIZCTEOSA-N 404.467 0.698 10 10 HCCE COC(=O)C1(C)CN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1638650471 VKEABVWNYDHINU-CMDGGOBGSA-N 401.463 0.922 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C\[C@@H]3CCCO3)CC2)cc1 1130864724 DPVRZCWGMVAGLO-QWUACUGRSA-N 423.535 0.998 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1503487573 LQLXCDLPWIWGFM-HNNXBMFYSA-N 414.466 0.430 10 10 HCCE O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)N1 1622634992 NQZMHQDDAXJMMR-KBPBESRZSA-N 415.899 0.039 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C)C[C@@H]3CO)CC2)cc1 1634203591 YPKOQFHKGBBXQC-LKGOPFMKSA-N 402.495 0.035 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1648327701 LGESJGSWCHPBBA-LJQANCHMSA-N 419.551 0.964 10 10 HCCE COc1ccc(N(CC(=O)N2CCO[C@@H](C)C2)CC(=O)N2CCO[C@@H](C)C2)cc1 914868910 RPSUBNABIYVGGM-IRXDYDNUSA-N 405.495 0.996 10 10 HCCE CCN1CC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1146355828 RTUGPFPDPSRJSG-SFHVURJKSA-N 410.540 0.357 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 1254716192 IHCBROLCWCVXDL-SFHVURJKSA-N 409.556 0.614 10 10 HCCE CCN1CCN(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C(=O)C1=O 1468816690 PDQQWIVHTVWOFH-UHFFFAOYSA-N 410.421 0.108 10 10 HCCE COC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620568637 NKKZXUUTKSHTCO-FUHWJXTLSA-N 423.485 0.979 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 1637562999 ARVJWJLSPHEKSE-UHFFFAOYSA-N 406.483 0.734 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)cc1 1673826190 JXNFGIKBUBYXAT-GOEBONIOSA-N 409.512 0.065 10 10 HCCE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)cc1F 1298056387 OTPFQPLCCMVBKP-AWEZNQCLSA-N 401.446 0.419 10 10 HCCE CCC(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1451875881 CTZRNOLBICEQQV-CMDGGOBGSA-N 400.479 0.938 10 10 HCCE COC(=O)N[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1478944914 JJLBXORJVBQBJS-HNNXBMFYSA-N 410.496 0.561 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3(CC(N)=O)CCC3)CC2)cc1 778316829 BKXPSDJYWPMDCD-BQYQJAHWSA-N 400.479 0.814 10 10 HCCE Cn1cnc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)c1 804736028 KOEQOGIEEKHYAA-UHFFFAOYSA-N 403.258 0.483 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1 1761698856 ZRQMHBQMFCCWMJ-UHFFFAOYSA-N 411.510 0.759 10 10 HCCE O=C1CC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1 815419426 VWGBFZRVPQWVDM-OAHLLOKOSA-N 407.442 0.738 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cncc(O)c3)CC2)cc1 1165637727 GPSNRFXJNXPAGC-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1C[C@H]2CCCCN2C1=O 1229664657 YJNRBRMPXGDRDP-MSOLQXFVSA-N 420.535 0.874 10 10 HCCE CC(C)(O)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1312982360 IWTUMEGUWUWNDY-UHFFFAOYSA-N 424.567 0.520 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CCn2cc(S(N)(=O)=O)cn2)N(C)C)cc1 1603555857 TYEVFEYWTQZDPY-QGZVFWFLSA-N 408.528 0.406 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 758322755 XKZFZIWUYSVQTK-HXUWFJFHSA-N 417.554 0.933 10 10 HCCE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCNS(C)(=O)=O 1513791213 ZEBHBACBTJAIDB-UHFFFAOYSA-N 422.555 0.863 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)cc1F 1565240145 QUABUNCARMKXEG-IBGZPJMESA-N 408.430 0.887 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COCCC3(OC)OC)CC2)cc1 1655483364 TYTMFICVDFVCGN-AZUAARDMSA-N 409.527 0.546 10 10 HCCE Cc1nn(CC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c(=O)c2ccccc12 42078426 MGPSBZSRXICFDF-UHFFFAOYSA-N 405.458 0.958 10 10 HCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1141995984 FJHLNVJAJDWDSU-HNNXBMFYSA-N 419.507 0.540 10 10 HCCE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CCO2)O1 1594716842 CBOKJYGKFFNNOL-GJZGRUSLSA-N 400.453 0.756 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCCCCS(N)(=O)=O)cc2)CC1 1638488911 QONLEXHTOLKPPV-UHFFFAOYSA-N 410.540 0.853 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](S(=O)(=O)N(C)C)C3)CC2)cc1 796129800 UHEBVVVFBFRFCW-LJQANCHMSA-N 424.567 0.700 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)CC2)cc1 1303831796 ZUIVDHUXQIALKH-FREXYMDOSA-N 417.506 0.681 10 10 HCCE CO[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS(=O)(=O)C1 1465423641 WWVQYOMRUBUKRX-GOSISDBHSA-N 400.472 0.607 10 10 HCCE CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1631880087 VCPSDTGZBHIGRQ-UHFFFAOYSA-N 423.583 0.573 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)cc2)CC1 1671095466 SEULDUCXLRTFCX-OALUTQOASA-N 403.527 0.873 10 10 HCCE CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1682647208 XQQZHWWWGDGKQR-OAHLLOKOSA-N 411.528 0.502 10 10 HCCE COCCN1CCCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1=O 787363043 LOBFRVJAWYDVRH-HXUWFJFHSA-N 420.554 0.359 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCNC(=O)[C@@H]3C)CC2)cc1 788550559 UFELGRKRGDJPOF-QWGSZXSUSA-N 400.479 0.637 10 10 HCCE COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c(O)c1 1635042780 SHJZCDIOUTVELX-MEBBXXQBSA-N 400.478 0.806 10 10 HCCE COC(=O)[C@@H]1[C@H]2CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@H]21 1685331332 RTBIWFGANDYWRX-PIIMJCKOSA-N 400.479 0.949 10 10 HCCE COC[C@@](C)(CC(=O)OC)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1307546928 OGNUPBQTSMRKHS-HXUWFJFHSA-N 411.474 0.836 10 10 HCCE Cc1cn2nnc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)c2c(O)n1 1645591349 HRRTUJTYDBKPMX-UHFFFAOYSA-N 409.450 0.770 10 10 HCCE CCN1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 803745073 CNLYNCWWUIKEDG-UHFFFAOYSA-N 403.527 0.098 10 10 HCCE CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312984004 RMGLCTLPLMDYLU-KRWDZBQOSA-N 408.524 0.587 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)c3cnn(C[C@H](O)CO)c3)cc2F)C[C@@H](C)O1 1630551093 ZIZFLEAUTKDDMG-VBQJREDUSA-N 406.458 0.919 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)C2)cc1 1639686868 JDCNDEDLQULCTH-HNNXBMFYSA-N 421.523 0.658 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4nc[nH]n4)CC3)CC2)cc1 1659223277 JPLFUZSYUKVZJI-GOSISDBHSA-N 401.515 0.118 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)cc1F 1137422650 GSTKXVUJUHLYDN-UHFFFAOYSA-N 423.470 0.627 10 10 HCCE CC(=O)C(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 808498023 GJWZKCMHUCROAV-UHFFFAOYSA-N 424.431 0.470 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)N(C)C)cc1 1471542908 DWTYELURVZAOEJ-FQEVSTJZSA-N 416.570 0.961 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3C(=O)OCC3(C)C)CC2)cc1 1623585465 HACVHQXXYZSFRX-QWUACUGRSA-N 401.463 0.968 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CNC(=O)c3ncccc3O)CC2)cc1 1625951684 LCJBJEPQFDEPTH-UHFFFAOYSA-N 413.478 0.464 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)Cn2nnnc2N1C 1626339221 PHJOOCLSYKBTHH-HNNXBMFYSA-N 410.482 0.415 10 10 HCCE COC(=O)[C@]1(C)C[C@H](OC)CN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1647992858 BBKIDZJTGLVYJV-CBQOVEMMSA-N 421.538 0.831 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008906 UXTQMTQKQQWGAX-HNNXBMFYSA-N 401.423 0.087 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCc3nnc4n3CCC4)CC2)cc1 778245492 HFXJORKLMBKUBD-HJWRWDBZSA-N 424.505 0.797 10 10 HCCE Cc1cc(Br)c(O)c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 786579226 PXJCHEAMPZNMQB-UHFFFAOYSA-N 424.299 0.925 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 1473831182 AOGOOQQWTMTEOM-QUCCMNQESA-N 404.555 0.978 10 10 HCCE NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685244432 QPRHPFQWXCPGFO-MRXNPFEDSA-N 416.526 0.978 10 10 HCCE Cc1c(OCC(=O)c2ccc(O)c(O)c2)c(=O)ccn1CC(=O)N1CCNCC1 1857920086 NNRPWUJHPPBEHP-UHFFFAOYSA-N 401.419 0.261 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@H](NC(N)=O)C3)CC2)cc1 778410278 LNJJIEUOXVPZPK-LFAOLKIESA-N 401.467 0.169 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CCCS1(=O)=O 1248737880 HCMMCINSCAHHSH-INIZCTEOSA-N 415.537 0.298 10 10 HCCE Cc1ncc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1454009337 YNUIAQYUHLQPPI-UHFFFAOYSA-N 404.492 0.929 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@H](C(=O)N(C)C)C3)CC2)cc1 1570318329 NPEBIHMUSHGRHF-KBOKABMXSA-N 414.506 0.837 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cn(C(F)(F)CO)nn3)cc2)C1 1630737875 DCMQCEFFQNKZPK-ZDUSSCGKSA-N 408.409 0.451 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3OC)CC2)c(OC)c1 1682617885 JHEHNPUNYNWXMS-RHSMWYFYSA-N 413.496 0.347 10 10 HCCE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195851 QQJFCOUQPZEYJR-HUUCEWRRSA-N 419.450 0.413 10 10 HCCE COC(=O)[C@@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778248811 ZBQCOTYQVWHSLS-KXPUMZMLSA-N 401.463 0.922 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4NC(=O)CC[C@H]4C3)CC2)cc1 1195926752 ANOIOESGVILNDE-CUWPLCDZSA-N 402.539 0.779 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3C[C@H]4C[C@@H]4C3)CC2)cc1 1252762166 ZQTILYPEFAIMMF-HZPDHXFCSA-N 408.524 0.808 10 10 HCCE O=C(CN1CCOCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1583100465 IKVMSJWBDODJTE-UHFFFAOYSA-N 414.485 0.891 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]4OCCNC(=O)[C@H]43)CC2)cc1 1648125189 YRCGRAAGUPLYRF-TYPHKJRUSA-N 418.538 0.158 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(OC)(OC)[C@H](O)C3)CC2)cc1 1654636857 FWSSESVVTKKQCX-UYAOXDASSA-N 409.527 0.234 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864009251 CUFOXFGSJCMGJL-MRXNPFEDSA-N 401.467 0.995 10 10 HCCE O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cc(O)c(O)c(O)c1 169859666 LHWNPBURZRCYQT-UHFFFAOYSA-N 404.375 0.955 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(N4CCOCC4)CCC3)nc12 769826889 ZGBOURVYDYXMGX-UHFFFAOYSA-N 404.423 0.910 10 10 HCCE CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1670698433 PEBZOZGWQSDKAT-DLBZAZTESA-N 408.524 0.635 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155818 XYUDZZFTJIVSNM-CABCVRRESA-N 420.510 0.903 10 10 HCCE Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 797445084 NDFHLPNRGMSNPU-UHFFFAOYSA-N 418.928 0.787 10 10 HCCE O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCc1cc(Br)ccc1O 804738081 BHEXLJCGTKHBHR-QHSBEEBCSA-N 409.236 0.933 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC(C)=NO3)CC2)cc1 1165636436 AZMNPFHKCQDARG-KRWDZBQOSA-N 410.496 0.428 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)cc1 1292283011 RHQSMQBVJFROJV-SFHVURJKSA-N 422.526 0.819 10 10 HCCE CCc1noc(COCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1531982690 CHDWBAUHKHFJQE-UHFFFAOYSA-N 408.480 0.700 10 10 HCCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)O)N[C@H]2c1cccc(OC)c1O 253380864 BXVYSHJMVQZRDA-MDZVHYATSA-N 406.435 0.651 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)CCN3CCOCC3)CC2)cc1 729606017 FVDVIPAEKVQAQJ-UHFFFAOYSA-N 405.543 0.791 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCOC(=O)N(C)C)CC2)cc1 1146319933 MKOBCJMMJIUMCO-HJWRWDBZSA-N 404.467 0.714 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3[C@H](CO)CC[C@H]3CO)cc2F)C[C@H](C)O1 1646468625 IFDIMUUILCFYCV-LAQRGFTBSA-N 409.502 0.873 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(C(=O)C(C)C)CC3)CC2)cc1 753996937 XURXOJQRDBINKS-HXUWFJFHSA-N 404.555 0.978 10 10 HCCE O=C(CN1CCN(C(=O)NCCCSc2nccs2)CC1)N1CCOCC1 762324506 PWVNTGOHTIIJSL-UHFFFAOYSA-N 413.569 0.811 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O 1134885345 BTWALQLMGYEKFP-QZTJIDSGSA-N 404.511 0.883 10 10 HCCE O=C1C[C@]2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)CN1 1312981800 FMIDTQQLQCAGQT-LJQANCHMSA-N 406.508 0.343 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@]3(F)CCS(=O)(=O)C3)CC2)cc1 1352408914 GGBKZJGUAANIHB-IBGZPJMESA-N 413.515 0.850 10 10 HCCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(N4CCS(=O)(=O)CC4)CC3)cc2N1 784405694 IJHTVWUMPNSZQH-UHFFFAOYSA-N 410.452 0.625 10 10 HCCE CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CCN2C1=O 1233603162 BCAREOTYAUBOLB-GOSISDBHSA-N 415.494 0.826 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCc4c(O)nn(C)c4C3)CC2)cc1 1308002252 BNIDMWWMLIWRDA-KRWDZBQOSA-N 401.511 0.676 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CCn1cncn1 1360656303 QANDGNAFRKHLMK-CYBMUJFWSA-N 420.499 0.522 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)cc1 1460861619 BWOZXVWBGFPKFS-ZIFCJYIRSA-N 409.552 0.155 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CN3CCCCS3(=O)=O)cc2)CC1 1462803789 HKORABDWRVWQEU-UHFFFAOYSA-N 408.524 0.430 10 10 HCCE O=C(N[C@@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)n1 1557640021 MVBQSQAKZVQCHT-SFHVURJKSA-N 416.453 0.589 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nnc(O)n1C 1565045008 XYUOQSXUOPZIIL-GFCCVEGCSA-N 408.484 0.316 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCOC3)CC2)cc1 1616824339 QBGKRHSFRPOWRT-INIZCTEOSA-N 411.524 0.690 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C)C[C@@H]3CO)CC2)cc1 1634203589 YPKOQFHKGBBXQC-JTHGQSKGSA-N 402.495 0.035 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1638479371 PHGFABMQJINIQL-KRWDZBQOSA-N 404.467 0.472 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)CC2)cc1 1660499468 OAXOZQZFNRELGZ-HFSMHLIXSA-N 423.579 0.545 10 10 HCCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2086865150 PVINPBUBCNQWEZ-CYBMUJFWSA-N 420.451 0.769 10 10 HCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1162278435 HYEDKFLSCDNVEH-FVQBIDKESA-N 410.492 0.824 10 10 HCCE COc1cc(N2CCN(C(=O)[C@@H]3CCc4nnc(O)n4C3)CC2)cc(OC)c1OC 1624804887 NIZNEBGOGYWZDU-CYBMUJFWSA-N 417.466 0.921 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(N4CCOCC4)ncn3)cc2)C1 1625271942 UYZWGEBRBYDUCB-QGZVFWFLSA-N 424.505 0.945 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)cc1 1627041568 YRQZEYMJTBWORY-PXAMLJHWSA-N 414.462 0.164 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)CC2)cc1 1629880354 HXZQLQOCTKKGRD-QIAWRQBBSA-N 415.450 0.214 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@]2(CCOC2=O)C1 1683897289 XHFJZLWUQSZXIB-LJQANCHMSA-N 407.492 0.770 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1313130929 HWVOYHUPRFXJSV-UHFFFAOYSA-N 422.482 0.605 10 10 HCCE COC[C@]1(CO)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1569205631 NYHSUSZUJOGVAS-KOIKXXGWSA-N 417.506 0.757 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 1742141624 KTFTZBMIYFRSGK-QGZVFWFLSA-N 411.510 0.978 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 757664687 FJBIDANJRGQNCF-QGZVFWFLSA-N 402.499 0.236 10 10 HCCE CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CCN2C1=O 1233603166 BCAREOTYAUBOLB-SFHVURJKSA-N 415.494 0.826 10 10 HCCE CNC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479343215 DATYTILRTYMMEL-QGZVFWFLSA-N 403.483 0.045 10 10 HCCE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)c1O 248227715 JTWUKKWBRBMKGC-PNWOCQHZSA-N 406.435 0.649 10 10 HCCE OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@@H](O)[C@H](O)[C@H]1O 504736082 PERPNFLGJXUDDW-MPASBQBUSA-N 406.387 0.153 10 10 HCCE COC(=O)c1cnn(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1437549925 QMEJLNCQNKHZBY-UHFFFAOYSA-N 406.464 0.221 10 10 HCCE COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1479185652 PYULCRUVEOBIRX-IBGZPJMESA-N 404.511 0.894 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@H]4CCC(=O)[C@@H]43)CC2)cc1 1531318956 ZFZVBGSICVRXPU-QXAKKESOSA-N 421.519 0.488 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1611010994 BSUNYHWRNNRDPE-LBPRGKRZSA-N 423.424 0.564 10 10 HCCE COC[C@@H]1COCCN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1646244266 PAKZCZDYDFVPPD-JTHGQSKGSA-N 403.479 0.774 10 10 HCCE Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1C 1646431299 LWYQIEMFKNRPMQ-UHFFFAOYSA-N 421.523 0.284 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1648327700 LGESJGSWCHPBBA-IBGZPJMESA-N 419.551 0.964 10 10 HCCE O=C(NCCOC1CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735015 WPEIUPSVCSJXGF-UHFFFAOYSA-N 411.524 0.916 10 10 HCCE O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cc(Br)ccc1O 805032077 URDOLADVIVNXOD-UHFFFAOYSA-N 422.301 0.616 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCS(=O)(=O)CC2)N(C)C)cc1 1313419927 VZCDIQKRIYPAQR-QGZVFWFLSA-N 412.556 0.594 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H](C)n2nnnc2N1C 1544929550 GFUPDBZDMRCZJU-ZBFHGGJFSA-N 424.509 0.976 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCc4c(nnn4C)C3)CC2)cc1 1640191219 HTICKLWAFQPETP-YDZSZYSISA-N 424.505 0.702 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN([S@](C)(=N)=O)CC3)CC2)cc1 1644421114 AZTVESZYFCDOCH-WRHNGFHOSA-N 411.572 0.387 10 10 HCCE COc1ccc(N2CCN(C(=O)C3CN(c4ncnc5c4nnn5C)C3)CC2)cc1 96353645 OJAAWVPPUXAERJ-UHFFFAOYSA-N 408.466 0.552 10 10 HCCE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785438283 BOMHBSUKRRCWAV-GOSISDBHSA-N 403.527 0.428 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)NC[C@H](C)S(N)(=O)=O)cc2F)C[C@@H](C)O1 799886860 FFMQGQQASSBDGM-XQQFMLRXSA-N 402.492 0.916 10 10 HCCE CN1CCN(c2ccc(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 1153443271 JQERPNQOBXUCAI-UHFFFAOYSA-N 419.526 0.696 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@H](CS(N)(=O)=O)C3)cc2)CC1 1479344640 VINLTCNNFWFWBH-HNNXBMFYSA-N 423.539 0.208 10 10 HCCE CN(C)C(=O)CCN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 761636658 MOTFENPACSMCLI-UHFFFAOYSA-N 403.527 0.829 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C(=O)NCc3ccn(C)n3)CC2)cc1 785528413 HNIPGLCODILXLE-UHFFFAOYSA-N 414.510 0.373 10 10 HCCE Cn1nnc2c1CC[C@H](NC(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2 1255509473 QHSGRCJJTMERGK-INIZCTEOSA-N 411.510 0.874 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H](CO)[C@H]1CCOC1 1565044766 SSXMEKDHGYBHTI-DLBZAZTESA-N 411.524 0.366 10 10 HCCE COC[C@H]1C[C@@H](O)CN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1632069909 OFOJPZPPZIVZQN-BTFXCVNISA-N 403.479 0.508 10 10 HCCE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1670698436 PEBZOZGWQSDKAT-SJORKVTESA-N 408.524 0.635 10 10 HCCE C[C@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)c1ccc(N2CCOCC2)cc1 1136443079 PINQKMSDVJGJDP-AWEZNQCLSA-N 419.507 0.845 10 10 HCCE CCN1C[C@H](CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1165357719 XBOOITASBLFWPG-JJEJIETFSA-N 414.506 0.885 10 10 HCCE CN(C)CCNC(=O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 1319831203 DBRZAZKWYAILGM-UHFFFAOYSA-N 412.512 0.294 10 10 HCCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCO)[C@@H]2c1ccc(O)c(O)c1 1864015851 XACBHQFHVJXWDX-SNVBAGLBSA-N 414.340 0.653 10 10 HCCE CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1645139699 NCNHKTWWIWOUQC-HNNXBMFYSA-N 414.553 0.328 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2)cc1 1654926233 ZQMVNPDBKNATCO-KPLVRAHFSA-N 402.539 0.766 10 10 HCCE O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(C[C@@H](O)CO)c1 1150348716 RSJBWQAWBVELPE-DLBZAZTESA-N 408.886 0.990 10 10 HCCE CNC(=O)[C@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1469198851 AXEQMCFNQSFMAX-WAVCKPEOSA-N 400.479 0.495 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)Cc3nc(=O)o[nH]3)CC2)cc1 1557204844 MTPPKPQKMLOSOH-BQYQJAHWSA-N 401.423 0.235 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CC2)cc1 1124586054 WJXAEZBYMXDAJB-FQEVSTJZSA-N 424.567 0.795 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3COCCN3CC(F)F)CC2)cc1 1292283570 WXGMYMSLKBBJFQ-SFHVURJKSA-N 412.481 0.899 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(CO)(CO)C3)CC2)cc1 1470547759 JUBZYIJWGMWDGZ-VOTSOKGWSA-N 403.479 0.103 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)c3cncn3C)CC2)cc1 1630599689 QXEBERTUIVBNIC-LKGOPFMKSA-N 413.478 0.483 10 10 HCCE O=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768532065 HUSUVLRCFZIBMI-UHFFFAOYSA-N 421.505 0.739 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/[C@H]3CCOC3)CC2)cc1 1130864669 CUXFLVVHSMTEJO-OIYOBHNRSA-N 423.535 0.856 10 10 HCCE COc1ccc(N2CCCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)cc1 1190448236 YIYCCPZFJDLIDJ-UHFFFAOYSA-N 424.567 0.748 10 10 HCCE CC(C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1253510513 FZCCRNINROXOJB-UHFFFAOYSA-N 417.554 1.000 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@H](C)CO3)CC2)cc1 1585654077 PNVZQEXUHMFEIJ-MAUKXSAKSA-N 411.524 0.688 10 10 HCCE COc1cc(N2CCN(C(=O)CCCS(N)(=O)=O)CC2)cc(OC)c1OC 1611227662 MZUXCPBLOXEDLW-UHFFFAOYSA-N 401.485 0.430 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cnn(C)c3)CC2)cc1 1616824161 NFDHYOHCQXNZSS-UHFFFAOYSA-N 421.523 0.239 10 10 HCCE CNC(=O)N[C@@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1611253175 HFTDTQFKCKJUHZ-KXPUMZMLSA-N 415.494 0.430 10 10 HCCE Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1C 1647080747 HTWRULQKTFCEKD-QGZVFWFLSA-N 422.555 0.492 10 10 HCCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NN1CCN(C)CC1 103521498 LCIBJXREBYOAFS-XMHGGMMESA-N 401.467 0.987 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H](O)CN1c1ccncn1 1147838421 VVTXRHXULCQZSF-WOJBJXKFSA-N 411.506 0.941 10 10 HCCE CN1C[C@H](NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1 1466410892 UMUHWCHMYQTTNH-OEMOTLHWSA-N 408.480 0.878 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COCCN3CC(F)F)cc2)C1 1625271938 UXSLNMIXWIZINH-RDJZCZTQSA-N 410.465 0.970 10 10 HCCE COCCn1c(C)c(C)c2cc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)ccc21 1178720582 BTOSEGNFGNTGFM-INIZCTEOSA-N 406.508 0.879 10 10 HCCE Cn1nnc2c1CC[C@@H](NC(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2 1255509480 QHSGRCJJTMERGK-MRXNPFEDSA-N 411.510 0.874 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)COC1 1446238388 BJWSTWNXHKMXFY-UHFFFAOYSA-N 421.563 0.896 10 10 HCCE CCO[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1628748434 XUXZXCPSFQHOCE-ZWKOTPCHSA-N 411.524 0.688 10 10 HCCE CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271592 LYFGGBHWDBYGDS-KRWDZBQOSA-N 410.540 0.881 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868588697 FPAPWPRRPZCFAG-HNNXBMFYSA-N 409.508 0.285 10 10 HCCE CN(CCCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 789951196 UETCBIUWTHEUDN-UHFFFAOYSA-N 403.401 0.999 10 10 HCCE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1544675939 FPASVBFREJGZJD-INIZCTEOSA-N 408.474 0.685 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nc(C(N)=O)co3)CC2)cc1 1629084822 UWSUMXNYRXIIEK-SREVYHEPSA-N 413.434 0.303 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=COCCC3)CC2)cc1 1640979661 ABWIUOVJQGINER-UHFFFAOYSA-N 409.508 0.958 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1451910595 DUQIGSOJEMZSOE-UHFFFAOYSA-N 424.479 0.304 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3[C@H]4C(=O)CC[C@H]43)CC2)cc1 1531318954 ZFZVBGSICVRXPU-BHIYHBOVSA-N 421.519 0.488 10 10 HCCE CCn1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1616823727 JZEGOIFXWRDCME-UHFFFAOYSA-N 422.511 0.188 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2)CC1 1625198157 CCNDMKGESVGITE-GOSISDBHSA-N 412.494 0.913 10 10 HCCE CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687004208 BCMSLHQUOJGLIC-MRXNPFEDSA-N 408.524 0.589 10 10 HCCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470905690 SEBKALUMTYMLSJ-MRXNPFEDSA-N 403.527 0.909 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028677 XSLJVAAXQJVJBE-WBMJQRKESA-N 400.435 0.818 10 10 HCCE CC(C)N1C[C@H](C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169859686 WJCZWRXNLWHTHE-CYBMUJFWSA-N 405.451 0.781 10 10 HCCE Cn1c(=O)nc(O)c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cnc21 1470446009 KBNGAOQHQCSHJX-UHFFFAOYSA-N 409.446 0.925 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1597567005 FMAZZSCKEIBZDW-UHFFFAOYSA-N 405.798 0.632 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)cc1 1633419081 XVJIAQADFPLVED-HNNXBMFYSA-N 419.507 0.947 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCCN3CCOCC3)CC2)cc1 743358277 HCHATDKHDYMLES-UHFFFAOYSA-N 405.543 0.839 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCCN3C(=O)CNC3=O)cc2)CC1 1652067874 FHAPVPQMHSRDNB-UHFFFAOYSA-N 401.467 0.337 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1655338224 OSVWEICWHJZTSA-LJQANCHMSA-N 408.568 0.564 10 10 HCCE CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1767807632 ZFMDJRUYZPVHMZ-AWEZNQCLSA-N 407.496 0.658 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 786122738 XXPXWEDBDZCQOJ-HZPDHXFCSA-N 410.540 0.799 10 10 HCCE O=C(CN1CCC(N2CC[C@@H](O)C2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1174741990 IQISOQOVYCDOOH-LJQANCHMSA-N 420.529 0.810 10 10 HCCE CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1528185678 KBUDFEWKPQRODO-UHFFFAOYSA-N 423.516 0.650 10 10 HCCE CC(=O)NCCC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802789 LYVXMXJLVPYSRU-QGZVFWFLSA-N 423.425 0.404 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C[C@@H](C)O)CC3)CC2)cc1 778265340 KYNOZEHYKABGBJ-JTHGQSKGSA-N 416.522 0.425 10 10 HCCE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148706249 UCEMVOUCVLVDJB-UHFFFAOYSA-N 420.491 0.133 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(c4nc(N)n[nH]4)CC3)CC2)cc1 1170745603 UFANOFQKYXDKAQ-GOSISDBHSA-N 415.542 0.758 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-c2nn[nH]n2)cn1 1453070513 CEEFEJBSMGACNX-UHFFFAOYSA-N 413.463 0.427 10 10 HCCE CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O 1478944982 LSBKBEXTIYYXNW-KRWDZBQOSA-N 408.524 0.732 10 10 HCCE COC(=O)[C@@]1(OC)CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1647802681 UMQKCGMRLGYDDT-GHTZIAJQSA-N 407.511 0.442 10 10 HCCE COC(=O)[C@@H]1CSCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1660179200 AEJQBOJAEWEPEJ-HKUYNNGSSA-N 409.552 0.769 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCc3nnc4c(=O)n(C)ccn34)cc2)CC1 1684955688 OBYGNXXFGAYBKI-UHFFFAOYSA-N 410.482 0.179 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1729418649 GEYUVEWHQSNUKD-UHFFFAOYSA-N 405.484 0.570 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CS(N)(=O)=O)cc2)C1 785864902 PVQKJWWYVYQNPR-DOTOQJQBSA-N 423.539 0.351 10 10 HCCE NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 1136961750 YBLNVTULAVZLFW-QGZVFWFLSA-N 410.540 0.427 10 10 HCCE NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)O1 1531599522 AEOLYOBFOFMZEH-SJORKVTESA-N 409.508 0.351 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC(S(N)(=O)=O)C3)cc2F)C[C@@H](C)O1 1643384815 HFAXXJYVOUNKBG-BETUJISGSA-N 414.503 0.028 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN([C@@H]2CCOC2)CC1 1683734942 SOJAKRKVVGYBKG-LJQANCHMSA-N 422.551 0.538 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2)cc1 1312993411 APMYRYZTUZSLJH-NVXWUHKLSA-N 402.495 0.947 10 10 HCCE CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 760863389 CUNWPYHEOFOFGC-SJORKVTESA-N 416.526 0.991 10 10 HCCE Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O 783624399 OGMUBENJKSJTAG-AWEZNQCLSA-N 421.479 0.418 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(=O)N(C)[C@H](C)C3)CC2)cc1 800653813 VZQRCMZFSCPDES-ROJDOSBLSA-N 400.479 0.589 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](C(=O)C4CC4)C3)CC2)cc1 801542296 FBBBEUZQUAQIHK-FPOVZHCZSA-N 403.523 0.858 10 10 HCCE CC(C)(O)CN1CC[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1230797830 BAOZAYZTPBXAJK-KRWDZBQOSA-N 424.567 0.566 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1C(=O)OC 1256236952 NGIBJDYHHYNNGV-KSZLIROESA-N 420.510 0.959 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccnc(S(N)(=O)=O)c1 1546152181 WCKMQSYOZSBPAM-UHFFFAOYSA-N 413.839 0.903 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CO)(CO)C3)cc2F)C[C@H](C)O1 1655057458 MJVGMJNDWGUWEY-HOTGVXAUSA-N 409.502 0.732 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@]34COCCN3C(=O)COC4)C2)cc1 1674326894 NEUVHTAXPATDKH-FOIQADDNSA-N 404.467 0.201 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 762924878 HWDVQAJKQRCKQZ-FMKPAKJESA-N 407.490 0.798 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1cnc2c(cnn2C)c1=O 777828915 PNPLMXGVDDRMLA-UHFFFAOYSA-N 419.825 0.691 10 10 HCCE CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1255510129 VPIQEVSQLNKICX-UHFFFAOYSA-N 410.540 0.964 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)N(CCO)C[C@@H]3C)CC2)cc1 1653938888 YKNFCMMDCALZTP-DYXWJJEUSA-N 406.571 0.565 10 10 HCCE CN(C)C(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687006669 OJWSMJTUDQQYOL-MRXNPFEDSA-N 408.524 0.541 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1711095784 YBHWWQNLGZBXAL-AWEZNQCLSA-N 422.511 0.511 10 10 HCCE C[C@H](CCS(C)(=O)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312981826 GRYVNJGRSGDGQV-CQSZACIVSA-N 417.553 0.544 10 10 HCCE CN1CCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3cccnc3)cc2)CC1 1536523455 HAMDXNUAJSXYKS-UHFFFAOYSA-N 417.535 0.770 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CCN(C(N)=O)C3)CC2)cc1 1627061884 RCNJULNBUMIBST-FYCOFBDGSA-N 415.494 0.417 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@](C)(CO)[C@@](C)(CO)C3)CC2)cc1 1648006597 OVCZAPBAIHIQKG-FCEUIQTBSA-N 407.555 0.491 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCCO 1696701212 XJJDAQSKDJISAE-INIZCTEOSA-N 424.523 0.921 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1148700975 IHYBUADWAQJCOC-LJQANCHMSA-N 416.503 0.994 10 10 HCCE NC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 1322374315 KYPFQXKXCYZCKB-UHFFFAOYSA-N 409.489 0.821 10 10 HCCE COc1ccc(N2CCN(C(=O)c3nc4ncc(CCO)cn4n3)CC2)cc1F 1566347757 UHQVWUUGYJOHFJ-UHFFFAOYSA-N 400.414 0.769 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H](CCSC)NC(N)=O)CC2)cc1 1625952332 XVVXGPNDWAYZLO-KRWDZBQOSA-N 409.556 0.723 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@](O)(C(F)F)C1 1687007007 TYKZWZKGWMBKCF-QGZVFWFLSA-N 403.451 0.833 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2358560510 VBUMMMHXIFLRQY-ZNMIVQPWSA-N 401.485 0.029 10 10 HCCE CN1CCN(C(=O)C2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)CC1 761879744 ARNYWGVYHRMNNJ-UHFFFAOYSA-N 403.439 0.916 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@]34CCOC4)CC2)cc1 1531315501 BMJXKVZHIIWFRM-ICSRJNTNSA-N 423.535 0.690 10 10 HCCE COC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CS(=O)(=O)C1 1534129400 BNWYOZAVPWXZAZ-UHFFFAOYSA-N 422.425 0.972 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)N(CCO)C[C@@H]3C)CC2)cc1 1653938890 YKNFCMMDCALZTP-ZJOUEHCJSA-N 406.571 0.565 10 10 HCCE C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735058 YAKLEUXDYGRWGE-CRAIPNDOSA-N 411.524 0.603 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 756247582 ONDHTVZEDPALJQ-OVKVCFKUSA-N 414.506 0.443 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)cc2)C1 1141995926 CHDNXKLQYQIZJM-OAHLLOKOSA-N 405.520 0.829 10 10 HCCE CCCN1C[C@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1682136221 GXTTWDAVSUAMJD-KRWDZBQOSA-N 422.551 0.979 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155819 XYUDZZFTJIVSNM-GJZGRUSLSA-N 420.510 0.903 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O 790684529 UUPOPVULPQVXCP-OAQYLSRUSA-N 401.463 0.867 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C\[C@H]3CCOC3)CC2)cc1 1130864671 CUXFLVVHSMTEJO-WLHRWRHDSA-N 423.535 0.856 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1252114205 AIRXNRRDQSGBEP-HNNXBMFYSA-N 406.483 0.890 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1470346970 CVLYODNUMMYCPF-UHFFFAOYSA-N 419.503 0.763 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1503487601 MDYUPZMECBHTEN-UHFFFAOYSA-N 403.468 0.626 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1767111679 BFLDECRJTODHHH-LBPRGKRZSA-N 408.409 0.953 10 10 HCCE CO[C@@H]1C=C[C@](CNC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 70885300 GTYKWPJCYMZBFQ-BPAFIMBUSA-N 414.466 0.897 10 10 HCCE CNC(=O)[C@]1(C)CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 797439659 BKQBJHTXMKECPD-OAQYLSRUSA-N 403.527 0.985 10 10 HCCE CCC[C@H](O)[C@H](CO)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1141984624 ROZIPYGJCLDAGK-XFIQWEIDSA-N 405.495 0.538 10 10 HCCE CO[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470252184 WOSDGFYVYXTNNQ-AEFFLSMTSA-N 411.524 0.772 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)CN3CCCC3)CC2)cc1 1556855191 UFYLEIQRFHDCLP-GIFJBRJJSA-N 416.522 0.473 10 10 HCCE CONC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1685244755 XDCYDSJRFMDEMV-UHFFFAOYSA-N 417.510 0.988 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1156622475 RMAFUUNMMUOETR-IBGZPJMESA-N 416.503 0.810 10 10 HCCE CC(=O)NC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1230799874 XZQGHSJWZFXYRZ-UHFFFAOYSA-N 408.524 0.732 10 10 HCCE CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1478667210 VBMWJEPJHLOWOW-ZDUSSCGKSA-N 420.482 0.928 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H](CO)[C@@H]1CCOC1 1565044767 SSXMEKDHGYBHTI-IAGOWNOFSA-N 411.524 0.366 10 10 HCCE COc1ccc(N2CCN([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c(OC)c1 1648084254 LSLSUXIIXYHEOP-CVEARBPZSA-N 404.511 0.938 10 10 HCCE NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 733998331 SNWYFVFGMJBWBG-OAHLLOKOSA-N 414.503 0.031 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCC(=O)C3)CC2)cc1 1300444346 NGJWKTJFFJLNDN-OAHLLOKOSA-N 409.508 0.632 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)C[C@H]3CCCO3)CC2)cc1 1303691253 WCTPSBSUOXJNNX-QNICDLNXSA-N 417.506 0.946 10 10 HCCE O=C(CN1CC[C@H](Cn2ccnn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 1460400651 GVBOVQQXRQTSQD-KRWDZBQOSA-N 402.474 0.892 10 10 HCCE CNC(=O)N[C@@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1611253183 HFTDTQFKCKJUHZ-XITLMJRVSA-N 415.494 0.430 10 10 HCCE CCOC(=O)[C@]1(C)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 1620516589 SFTWYKQDGUWCED-UGKGYDQZSA-N 421.538 0.832 10 10 HCCE Cn1cc(/C=C\C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(=O)n(C)c1=O 1468816991 RIBWCAKQDYXKMG-ARJAWSKDSA-N 420.416 0.528 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(=O)NCC34COC4)cc2F)C[C@@H](C)O1 1560120884 KHTLFAXQHTUDQO-HUUCEWRRSA-N 420.485 0.256 10 10 HCCE O=C(CN1CCO[C@@H](Cn2ccnn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 1647816374 ISTSZBPLNUQPGP-QGZVFWFLSA-N 418.473 0.271 10 10 HCCE Cn1nccc1[C@@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674276450 GDJKHJIDFKZBPR-KRWDZBQOSA-N 407.496 0.188 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCCN3CCCS3(=O)=O)cc2)CC1 1684378338 WADHIJUNFDZVME-UHFFFAOYSA-N 409.556 0.663 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncn(C)n1 1761468135 REARBHXQVMGREH-LBPRGKRZSA-N 420.499 0.407 10 10 HCCE CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 788311758 ZEMIJUYRLLYKSK-QFIPXVFZSA-N 417.506 0.936 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)Cn3nc(C)n(C)c3=O)CC2)cc1 1352408436 BFFIVDVUCBRBMR-UHFFFAOYSA-N 402.499 0.227 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3cnc[nH]3)CC2)cc1 1452973503 NDQJOMMBSJRHSI-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CN(C)CCN1C 1478944631 GILUCKXHZDDEBL-LPHOPBHVSA-N 423.583 0.355 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@@H](C)CO3)CC2)cc1 1585654076 PNVZQEXUHMFEIJ-CRAIPNDOSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)cc1 1674326901 NEUVHTAXPATDKH-YWZLYKJASA-N 404.467 0.201 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@]3(CCO)CCOC3)cc2)C1 762273637 XDVCZTHNSKWJJY-UTKZUKDTSA-N 404.511 0.977 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CS(N)(=O)=O)cc2)C1 785864915 PVQKJWWYVYQNPR-RDJZCZTQSA-N 423.539 0.351 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC3OCCO3)CC2)cc1 1644651864 AXOAGGBNXCCKTJ-UHFFFAOYSA-N 413.496 0.026 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c(OC)c1 1683564788 ITVDKQXFSYZYIA-CQSZACIVSA-N 412.512 0.569 10 10 HCCE [N-]=[N+]=NCCOCCOCCC(=O)NC(COCCC(=O)O)COCCC(=O)O 83254038 JHWOZVJZZNSTTF-UHFFFAOYSA-N 420.419 0.187 10 10 HCCE COC(=O)/C=C\c1ccc(N2CCCN(C(=O)CNC(C)=O)CC2)c([N+](=O)[O-])c1 1559254442 LAHPDAIKIZDXCD-ALCCZGGFSA-N 404.423 0.956 10 10 HCCE CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)OCC)C1 1633473868 WZQBNAUKTRTVML-HOTGVXAUSA-N 422.478 0.963 10 10 HCCE CCOC(=O)COCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1251194704 HAMLFVBASUSBCV-INIZCTEOSA-N 406.483 0.767 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H](CO)[C@@H]3CCOC3)cc2)CC1 1255508906 IWMBZVFVYJIMEY-QZTJIDSGSA-N 404.511 0.833 10 10 HCCE O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1531986657 RTKPYZZEISSLCQ-HNNXBMFYSA-N 400.522 0.362 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2)cc1 1565056272 SYMKSRJDVWCCOF-DJPFJPOOSA-N 404.511 0.799 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3cn[nH]c3)CC2)cc1 1583892170 RQFHDVPIGOILNF-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cn(CCNC(C)=O)c(=O)cc3O)CC2)cc1 1870120224 SNRFRVJXJNTTEL-UHFFFAOYSA-N 414.462 0.661 10 10 HCCE COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 6368160 IJPJEBALQSXVFT-NTEUORMPSA-N 400.460 0.660 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCO[C@]2(CCOC2)C1 1312983905 QJXRDBKAAUILOM-LJQANCHMSA-N 409.508 0.622 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 1510677019 ZLZWMHGFVPOAHY-DOTOQJQBSA-N 411.510 0.964 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)cc2)CC1 1671095465 SEULDUCXLRTFCX-MOPGFXCFSA-N 403.527 0.873 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 1674712966 SCAOTXQITQBLRJ-UHFFFAOYSA-N 422.551 0.967 10 10 HCCE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCCc1ccc(O)c(O)c1 2360622988 WZWIEHQKDCLTEP-LBPRGKRZSA-N 402.469 0.694 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)c(OC)c1 1636884089 XZQDBVBJXAYWJE-UHFFFAOYSA-N 414.528 0.817 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1298364210 VVWYDLHNQARHAG-UHFFFAOYSA-N 417.495 0.969 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1 1441949500 WLSGBXVPUBDFTI-RDJZCZTQSA-N 400.483 0.681 10 10 HCCE CN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)cc2)CC1 1536933194 GPEZAYWLCKVWEO-RTWAWAEBSA-N 402.539 0.934 10 10 HCCE COC(=O)N[C@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1595550088 PIGMAKDSWGHEMD-PTZVLDCSSA-N 416.478 0.857 10 10 HCCE COCCN1C(=O)c2ccc(C(=O)NCc3cc(O)ccc3O)cc2S1(=O)=O 1637122625 KKBMQGLWKXECPA-UHFFFAOYSA-N 406.416 0.819 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2)cc1 1654926232 ZQMVNPDBKNATCO-JLMWRMLUSA-N 402.539 0.766 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H](O)COCC3CC3)cc2)CC1 1676126498 SBABDWVGKBSJEU-LJQANCHMSA-N 404.511 0.975 10 10 HCCE CCc1ccc(N2C(=O)[C@@H]3ON(CC(N)=O)[C@H](c4ccc(O)c(O)c4)[C@H]3C2=O)cc1 102440672 BEXVEHDPURURQN-GUDVDZBRSA-N 411.414 0.992 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnn4c3OCCC4)cc2)CC1 1463512519 MBODTRSUSLRQEE-UHFFFAOYSA-N 419.507 0.813 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(O)n3)CC2)cc1 1640017280 WSFBEBAYWLUWEE-UHFFFAOYSA-N 420.491 0.678 10 10 HCCE COC[C@@H](O)CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 801746070 GLAQTUFHECKUDC-INIZCTEOSA-N 418.473 0.749 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)[C@@H]1CCCOC1 1478945772 XSYNPEFFUDVPNI-AEFFLSMTSA-N 411.524 0.508 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCC3=NNC(=O)C3)CC2)cc1 1625583605 ARZSUHGITSBXCP-CMDGGOBGSA-N 413.478 0.672 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 789810532 AWWYDDDDGQZXNU-AWEZNQCLSA-N 406.458 0.358 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H]3CCN(C)C(=O)C3)CC2)cc1 1142748595 FDRJAIWGQGRPNW-ZPUOCTKUSA-N 414.506 0.885 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCCN(CCCO)C1 1478944768 IDXYPWSSDMRCBI-SFHVURJKSA-N 424.567 0.567 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCCn3cc(CO)nn3)cc2)CC1 1685331052 KGTZFYQRPUJDDW-UHFFFAOYSA-N 415.498 0.362 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)cc1 790165342 WUKXERFRBHXRKF-XYXUZSOXSA-N 412.490 0.639 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCN3C(=O)CCNC3=S)cc2)CC1 1155603671 GCOKEEIDLJNGPC-UHFFFAOYSA-N 417.535 0.501 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1298363290 BQCVKPCSUUXGPL-MRXNPFEDSA-N 401.467 0.983 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3nc[nH]n3)CC2)cc1 1640980546 VTXQKHYVEXTNIM-UHFFFAOYSA-N 422.511 0.014 10 10 HCCE COCCCOC1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683896961 RGOFHGIEWBOSDC-UHFFFAOYSA-N 411.524 0.868 10 10 HCCE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)CCOc1ccc(N)cc1 2181128877 JMEIRGCMIODNIC-KRWDZBQOSA-N 403.501 0.843 10 10 HCCE Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881914 TWNGLKVXNBZDTG-UHFFFAOYSA-N 411.436 0.991 10 10 HCCE CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cc3ccc(O)c(O)c3)CC2)CC1 1565595979 IJIDTDWEZLJYGW-UHFFFAOYSA-N 404.511 0.337 10 10 HCCE CO[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCOC1 1674276436 FVCJJAJYPXXWCF-FUHWJXTLSA-N 411.524 0.772 10 10 HCCE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1675580248 KKQQRHTZPACQEA-HKUYNNGSSA-N 419.526 0.687 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1nnc2n1CCNC2=O 1686725532 NAUXCMPQODFMNA-UHFFFAOYSA-N 421.408 0.136 10 10 HCCE CO[C@@H]1C=C[C@](CNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)(OC)O1 70883401 WPGCXXGJJJZUAF-ICSRJNTNSA-N 414.466 0.897 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@H]3C(=O)N(C)C)CC2)cc1 778222626 ZWVKTQWABOXCOS-GDWUOILNSA-N 414.506 0.979 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O 790684528 UUPOPVULPQVXCP-NRFANRHFSA-N 401.463 0.867 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C(=O)NCc3ccn(C)n3)cc2F)CC1 805006783 FINJBPJBWZVSED-UHFFFAOYSA-N 402.474 0.634 10 10 HCCE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1166995837 GGAVWPLSRHXPIK-GWCFXTLKSA-N 414.436 0.331 10 10 HCCE NC(=O)C1(O)CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1559832360 QGEQRCSQAKXTIB-UHFFFAOYSA-N 407.426 0.713 10 10 HCCE Cc1ccc(N=c2nc(N3CCC(O)CC3)[nH]c(N3CCC(O)CC3)n2)c(O)c1 1871731207 BXFAPDAPRBYYTK-UHFFFAOYSA-N 400.483 0.973 10 10 HCCE CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O 85559841 YCGOFCMTIPNCPZ-YZQYHBQDSA-N 402.355 0.896 10 10 HCCE CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751229166 WLNGTTHEFNFIHT-UHFFFAOYSA-N 408.517 0.641 10 10 HCCE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 804259883 ANWHHPAOLMLUBP-IBGZPJMESA-N 417.554 0.770 10 10 HCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1444827179 AAHAEHLNRYTHOA-UHFFFAOYSA-N 410.471 0.938 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1647869163 BSLOBDJYMJSVAG-MVJTYMMSSA-N 409.502 0.588 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 740909258 BJVMQGZDLRQKMG-QGZVFWFLSA-N 424.567 0.893 10 10 HCCE C[C@@H](CN1CCOCC1)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271139 HBJCZODSXNXOOJ-KRWDZBQOSA-N 424.567 0.784 10 10 HCCE [N-]=[N+]=NCOCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2080391065 QAZOWYMLKTVSFQ-LLVKDONJSA-N 400.351 0.701 10 10 HCCE COc1cc(N2CCN(C(=O)CS(=O)(=O)N(C)C)CC2)cc(OC)c1OC 760086274 SVLDNTUSKLNRPE-UHFFFAOYSA-N 401.485 0.252 10 10 HCCE Cn1cc(/C=C/C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(=O)n(C)c1=O 805259539 IXJVORANEIPBBB-HABDOHHLSA-N 424.457 0.133 10 10 HCCE NC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 1317898749 DILZZSJSBTYJCM-MRXNPFEDSA-N 416.503 0.966 10 10 HCCE O=C(CN1CCN(Cc2cn[nH]c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1559922229 BXPNWMGPBDNYFI-UHFFFAOYSA-N 416.501 0.819 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@](C)(O)C3CC3)CC2)cc1 1640979881 HRKZYMYEEPPPNT-LJQANCHMSA-N 411.524 0.424 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1641204019 ONPFLGYFHGNRPW-UHFFFAOYSA-N 410.540 0.440 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](Cn4ccnn4)C3)CC2)cc1 1643788813 HOFFKNUUUJVSQI-UYAOXDASSA-N 400.527 0.792 10 10 HCCE COC(=O)[C@]1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 1648148997 RYSSPJWSLITLFK-GXZWQRSESA-N 423.485 0.665 10 10 HCCE CCOC(=O)[C@]1(C)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 1655381019 IJIAOIHGKYPMQB-NRFANRHFSA-N 423.485 0.933 10 10 HCCE COc1ccc(N2CCN(C(=O)CONC(=N)[C@H]3CN(C(C)C)CCO3)CC2)cc1 779652815 QGRCYOZXBCJSNV-LJQANCHMSA-N 419.526 0.951 10 10 HCCE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnn(C[C@H](O)CO)c1 1295116006 BLPYOROJUTYXSR-NRFANRHFSA-N 413.522 0.698 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C4CCC3(C(N)=O)CC4)CC2)cc1 1472173146 PZVKWVYDAUMPKC-VOTSOKGWSA-N 412.490 0.909 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccn(C)n3)CC2)cc1 1527885715 SHQRUOFVVACSKQ-UHFFFAOYSA-N 407.496 0.311 10 10 HCCE CCOC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 741245606 BUMFZXTUSCKACL-SFHVURJKSA-N 409.458 0.542 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1135594537 LFCHRWZQFZIDNT-UHFFFAOYSA-N 406.460 0.978 10 10 HCCE CNC(=O)NC[C@@H]1CCCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1175361900 LRAHYQGWMIMILV-PMACEKPBSA-N 419.570 0.962 10 10 HCCE COC[C@@]1(C(=O)OC)CCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1559997458 WTMIXSFATNLYFK-SIKLNZKXSA-N 421.538 0.832 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1684463868 XMGCUDVUJLZESJ-UHFFFAOYSA-N 410.446 0.735 10 10 HCCE CC(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NCCN(C)C 770127705 CAQSPIOXHODPHW-HNNXBMFYSA-N 414.528 0.586 10 10 HCCE CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(CC(=O)OC)cc2)ccc1O 790407776 QLYWVRRZAWHJNN-UHFFFAOYSA-N 414.461 0.817 10 10 HCCE Cn1cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)n(C)c1=O 918632958 FXYXBCFYBGGLCE-XQRVVYSFSA-N 402.426 0.389 10 10 HCCE COC(=O)c1ncoc1CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1130782263 PUIZSQJZXPWKFS-UHFFFAOYSA-N 421.475 0.945 10 10 HCCE CCOC[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1230799058 LSUIXQSGSPJYMI-GOSISDBHSA-N 411.524 0.868 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC3(O)CCC3)CC2)cc1 1583891917 MOPPHQBMNQRDHJ-UHFFFAOYSA-N 411.524 0.568 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)c(OC)c1 1682617884 JHEHNPUNYNWXMS-PBHICJAKSA-N 413.496 0.347 10 10 HCCE CN(CCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)S(C)(=O)=O 1683195800 OVDREZARAMKEAV-UHFFFAOYSA-N 420.482 0.882 10 10 HCCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865727978 ZLYRFSHJKSLYHY-TVQRCGJNSA-N 416.434 0.105 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)cc2)CC1 1288335110 YWMITKWHVGEHJB-UHFFFAOYSA-N 424.505 0.258 10 10 HCCE O=C(CCCn1c(O)nnc1O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1584064160 FLQQSGCHRJHAOQ-UHFFFAOYSA-N 409.468 0.021 10 10 HCCE COc1cccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c1O 1630366245 NCOZBYMEGZXMQN-QMTHXVAHSA-N 400.478 0.806 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1686854964 LKJNVTVUGSBBKG-KRWDZBQOSA-N 403.527 0.985 10 10 HCCE O=C(NCCCn1ccc(O)nc1=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155131 GJAWXFJZJZLBEA-UHFFFAOYSA-N 401.467 0.800 10 10 HCCE CNC(=O)[C@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)CCO1 1748207397 FVQLQSLRGDOOFV-GOSISDBHSA-N 418.473 0.562 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)C[C@@H]3CCCO3)CC2)cc1 1303691251 WCTPSBSUOXJNNX-NZCLQKMISA-N 417.506 0.946 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC([C@H](F)C(N)=O)CC3)CC2)cc1 1654520331 FJIMTLKVKVASRQ-QUCCMNQESA-N 408.518 0.714 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@]4(C)C(=O)NC(=O)[C@@]4(C)C3)CC2)cc1 1659736170 DYCFETDWQCACET-YHYVQYDKSA-N 416.522 0.163 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)nn2)O1 1167762149 HZWSTKMRPOSOCM-MRXNPFEDSA-N 400.439 0.278 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCC(C)(C)O)CC2)cc1 1557398817 FMFQJMDEABIXHF-UHFFFAOYSA-N 413.540 0.814 10 10 HCCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864011865 ZGSMSMFWCNHTSG-OAHLLOKOSA-N 402.451 0.977 10 10 HCCE COc1cc(/C=C2\SC(=S)N(CC(=O)NCC(=O)O)C2=O)cc(OC)c1O 15036403 PPPUCJHWVHUKIY-WZUFQYTHSA-N 412.445 0.811 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCOC[C@@H]3C[C@@H](C)O)CC2)cc1 768293089 FPFHTJXABDSHHJ-MJGOQNOKSA-N 406.527 0.999 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@@]3(O)CCCOC3)CC2)cc1 1164440946 RPBLSWHJOGXHPP-RHVSLNNASA-N 417.506 0.948 10 10 HCCE COC[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)O1 1230799868 XXSGLZHJQDBWKZ-MAUKXSAKSA-N 411.524 0.867 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)cc2)CC1 1471192435 YQNGZTBAALINAV-UHFFFAOYSA-N 410.482 0.511 10 10 HCCE O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1531986658 RTKPYZZEISSLCQ-OAHLLOKOSA-N 400.522 0.362 10 10 HCCE COC1(OC)CCOC[C@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1560113701 QNYNZJASAZQCED-GOSISDBHSA-N 411.474 0.646 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C 1627050629 SSLPHZGMWJXJKX-ATZDWAIDSA-N 405.495 0.900 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@]3(O)CCOC3)CC2)cc1 1640754290 QNWPNACWLIFYBM-BXKJMJEDSA-N 403.479 0.558 10 10 HCCE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684873464 HSCLLBABTKFUGD-SFHVURJKSA-N 409.556 0.662 10 10 HCCE CC(C)NC(=O)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N(C)C)c(F)c1 1692543531 VMAOSFWFFONJMS-UHFFFAOYSA-N 417.489 0.996 10 10 HCCE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[C@H]1c1nccn1C 1447565808 WEAGXMMZOLCVJB-IGNZVWTISA-N 402.451 0.867 10 10 HCCE CN1C[C@@H](CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1470754187 RAPRSMHYNYBDBJ-INIZCTEOSA-N 408.524 0.589 10 10 HCCE CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479343212 DATYTILRTYMMEL-KRWDZBQOSA-N 403.483 0.045 10 10 HCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 1531694405 RMLHTFNNMQHWCV-UHFFFAOYSA-N 410.478 0.693 10 10 HCCE CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1687441359 KIHHLARXCDPQCA-GOSISDBHSA-N 409.556 0.662 10 10 HCCE O=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169856972 VTADRSFCWFGYTE-UHFFFAOYSA-N 413.430 0.954 10 10 HCCE CC[C@H](CO)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 743859533 XSKITIXRQFUNQM-GOSISDBHSA-N 408.518 0.667 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)[C@]3(OC)CCS(=O)(=O)C3)cc2F)CC1 1352969998 OUDJHBVKACLUCD-IBGZPJMESA-N 413.515 0.788 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)N(C)C)cc1 1586060050 AWPNKHAREZBDQB-NVXWUHKLSA-N 401.471 0.485 10 10 HCCE CN(CC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796295 BIXYVVWAERLKGX-UHFFFAOYSA-N 408.524 0.685 10 10 HCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796807 QCWXDZXHOCLBNJ-CJNGLKHVSA-N 415.537 0.154 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCO[C@H]3CCOC3)CC2)cc1 1639080492 GWEDLSZFSAROQX-RURPWVQCSA-N 403.479 0.822 10 10 HCCE Cn1cc([C@@H](O)CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1684169219 KERDUUYNYQGIBK-SFHVURJKSA-N 400.483 0.655 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCC(=O)N3CCOCC3)CC2)cc1 743358302 HNCWNPRAGNYTKU-UHFFFAOYSA-N 419.526 0.365 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 786994738 BOWYAYCQLGSMGT-ZIAGYGMSSA-N 424.473 0.918 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@]3(C)CO)CC2)cc1 803749049 FCVLXHOINDHPRX-OAQYLSRUSA-N 404.511 0.307 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2)CC1 1133631010 USCIQHHMADOIJF-MRXNPFEDSA-N 412.494 0.946 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN1S(C)(=O)=O 1246301425 GTMDNXFOUHXEGY-INIZCTEOSA-N 409.556 0.614 10 10 HCCE O=C(CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CCCC1 1252843085 FTEJJVOEWNFDBR-UHFFFAOYSA-N 408.524 0.779 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCCS(C)(=O)=O)CC2)cc1 1451870921 GZQXKPJAFGPONY-MDZDMXLPSA-N 423.535 0.841 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C(=O)OC 1478958145 WPVWJQSUJSTDNG-RRQGHBQHSA-N 405.451 0.878 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)N(C)C)cc1 1479534252 MLJDKGYEOXEPIU-ZWKOTPCHSA-N 412.556 0.546 10 10 HCCE COC(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n(C)n1 1531985539 LCFBQEDUYPGSBR-UHFFFAOYSA-N 406.464 0.372 10 10 HCCE COc1ccc(N2CCCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 1543359174 WHGPIDWODNIJMM-UHFFFAOYSA-N 420.491 0.603 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 1673826221 KQPAMAHVZGAJCP-CQSZACIVSA-N 411.466 0.762 10 10 HCCE COc1ccc(N2CCN(C(=O)CN(C)C(=O)c3cn(C)nc3OC)CC2)cc1 56910025 IISVJLLWLLKLPM-UHFFFAOYSA-N 401.467 0.858 10 10 HCCE CCn1nc2c(cc1=O)CN(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)CC2 742428527 WRABFJJRRLTRST-UHFFFAOYSA-N 411.506 0.979 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4nc(O)n[nH]4)CC3)CC2)cc1 808755666 UTPWVLPDJCFXGU-SFHVURJKSA-N 416.526 0.881 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCc3ncn(C)n3)CC2)cc1 1143214585 HDPFRFDHURLYGU-KTKRTIGZSA-N 412.494 0.778 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@]3(C)CCC(=O)N3)CC2)cc1 1161074105 TUTRLJZHUUZABD-NJRZHNRPSA-N 400.479 0.685 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)cc1 1464547449 VNYQYRJUOUVKGV-QGZVFWFLSA-N 414.510 0.875 10 10 HCCE CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1564963048 RKNKXPNKRCUEIY-HNNXBMFYSA-N 411.528 0.313 10 10 HCCE [N-]=[N+]=N[C@]1(CI)O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 78211369 SATWANAKCVYMJJ-MLTZYSBQSA-N 418.155 0.101 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 732922885 DBGYCEJQVCQGAO-CALCHBBNSA-N 412.556 0.761 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 743357689 BULANPVAHINGEC-QGZVFWFLSA-N 410.540 0.646 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCn3ccnc3C)CC2)cc1 803746637 FRCZXYXPZXIMSW-UHFFFAOYSA-N 414.510 0.255 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H](O)CN1c1ccncn1 1141901638 JNAWQZBERHFQJL-MAUKXSAKSA-N 401.442 0.708 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1162540408 XXFNRERNDWCNJT-UHFFFAOYSA-N 422.463 0.428 10 10 HCCE COC(=O)[C@@H]1C[C@@H](O)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1307906122 UUQMXSYUFWLDGD-QRQLOZEOSA-N 407.511 0.034 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 1584087865 BBDAQNCQUXFCKF-AWEZNQCLSA-N 412.494 0.556 10 10 HCCE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1684174216 AZSSTRXETZNOSY-AEFFLSMTSA-N 418.494 0.454 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCC(O)(COCCO)CC2)N(C)C)cc1 1687807606 VHDQUDHHLUPMMT-LJQANCHMSA-N 408.543 0.901 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O 5208372 IBZGBXXTIGCACK-CHNSCGDPSA-N 414.366 0.154 10 10 HCCE biogenic COc1ccc(N2CCN(C[C@@H](O)CN3CCN4C(=O)OCC[C@@H]4C3)CC2)cc1 754080321 FCXJXAHEOAFWPN-RTBURBONSA-N 404.511 0.705 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1137082282 UTSLFDBJXRJQTF-GFCCVEGCSA-N 406.455 0.769 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3[nH]c(O)nc3C)CC2)cc1 1452971999 IDWJABLRQIZAIN-UHFFFAOYSA-N 423.495 0.314 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(-n2cncn2)n1 1528185611 IUTKYJMHQRKUST-UHFFFAOYSA-N 412.475 0.827 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3cnn(C[C@@H](O)CO)c3)cc2F)CC1 1585403466 IMAIDOICLZGUEP-QGZVFWFLSA-N 405.474 0.447 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)[C@H]3CCC(=O)N(C)C3)CC2)cc1 1636802621 UFPRSGVBWFHGCN-LENZSSGSSA-N 414.506 0.979 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](n2cncn2)C1 1683897307 XZYDKKOJJOXNLW-QGZVFWFLSA-N 404.496 0.670 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCN(C2CCC2)C1=O 1687007059 VZTQFGSFJFUFJQ-SFHVURJKSA-N 420.535 0.874 10 10 HCCE C[C@H](NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)C 918848234 BQSAKGZLFOYCDU-NSHDSACASA-N 423.425 0.794 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)cc1 1195926754 ANOIOESGVILNDE-HFSMHLIXSA-N 402.539 0.779 10 10 HCCE NS(=O)(=O)c1n[nH]cc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1466113646 LFVMXIAWIQERII-UHFFFAOYSA-N 418.523 0.519 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC3(CC(N)=O)CC3)CC2)cc1 1299567122 JUASIWOLINLNPQ-VOTSOKGWSA-N 400.479 0.672 10 10 HCCE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 1625608238 WGLYMYKWEPCILT-UHFFFAOYSA-N 404.511 0.949 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N(C)C 1751199133 VQFOZRXWBYVMCO-CYBMUJFWSA-N 424.527 0.709 10 10 HCCE [N-]=[N+]=NCCOCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1857791737 SKTGGMFEGRISBY-NSHDSACASA-N 400.351 0.353 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@]4(CNC(=O)C4)C3)CC2)cc1 790165336 WUKXERFRBHXRKF-DYRFGFBLSA-N 412.490 0.639 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(O)n(C)n3)CC2)cc1 1165639734 WELKDSWZUJDKPY-UHFFFAOYSA-N 423.495 0.016 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)c(OC)c1 1255685917 WHZXXTKYRAYJTA-UHFFFAOYSA-N 420.510 0.984 10 10 HCCE CS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1682582865 LZQQQLRMZPNUIZ-INIZCTEOSA-N 415.537 0.250 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1683425109 MPQOGXJKRMBTEC-QAPCUYQASA-N 412.556 0.952 10 10 HCCE COC[C@@H]1CCCN1C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803748845 DMBSUYJPZSBGHO-SFHVURJKSA-N 404.511 0.571 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1246301887 IKMHVCUCWSJDAP-JKSUJKDBSA-N 419.526 0.694 10 10 HCCE COC(=O)[C@@H]1CN(C)CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1246304773 WBEYUMLUHQERQG-GOSISDBHSA-N 403.527 0.685 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C)CC(C)=NO3)CC2)cc1 1437457840 ZKKGYBJFPIZECZ-IBGZPJMESA-N 424.523 0.818 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)N(C)C)cc1 1638917018 CCATXMAHUFIBCE-MAUKXSAKSA-N 411.572 0.936 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@H](CO)[C@@H](CCO)C1 1687006988 SPTBUCDUUCEUGC-DLBZAZTESA-N 411.524 0.054 10 10 HCCE COC[C@@H](C(N)=O)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 815136730 CMEQTEVNSSTQEP-LBTNJELSSA-N 410.490 0.488 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@]12COCCN1C(=O)COC2 1230200137 HGKIHVLWTXUDFZ-HRAATJIYSA-N 404.511 0.919 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCS(=O)(=O)CC2)N(C)C)cc1 1313419926 VZCDIQKRIYPAQR-KRWDZBQOSA-N 412.556 0.594 10 10 HCCE CNC(=O)[C@@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1469198853 AXEQMCFNQSFMAX-XITLMJRVSA-N 400.479 0.495 10 10 HCCE CO[C@@]1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCS(=O)(=O)C1 1471405007 YYDXKMIGZYWPHL-PKOBYXMFSA-N 412.556 0.858 10 10 HCCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1585536144 SOKPRWPXYWEBSN-UHFFFAOYSA-N 420.510 0.905 10 10 HCCE Cn1nccc1[C@H](O)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684174162 ABLCISLDKNGEOF-GOSISDBHSA-N 400.483 0.655 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3CC(N)=O)cc2F)C[C@@H](C)O1 1195233492 JJGKEKANKQMVEB-UXLLHSPISA-N 422.501 0.632 10 10 HCCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=NCCOC)[nH]1 1871466379 QYMCURJPKHFQAB-UHFFFAOYSA-N 417.514 0.167 10 10 HCCE CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312982388 JHUCUYMLOIORGY-GOSISDBHSA-N 422.551 0.931 10 10 HCCE O=C(CN1CCCCS1(=O)=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1535345506 ALIZLSGKAQLEMZ-UHFFFAOYSA-N 403.451 0.843 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCCC2(C1)OCCO2 1683734869 QEMUOZZVQUQYSO-UHFFFAOYSA-N 409.508 0.970 10 10 HCCE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1687632818 UUGSSWSXQMSVQD-DLBZAZTESA-N 417.554 0.985 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008907 UXTQMTQKQQWGAX-OAHLLOKOSA-N 401.423 0.087 10 10 HCCE COc1ccc(N2CCN(C(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)CC2)cc1 585358285 UYMFARIXUKSRDS-UHFFFAOYSA-N 420.477 0.851 10 10 HCCE CCN1C[C@@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1636110475 PGBUQWHEKOURQN-FDMDGMSGSA-N 400.479 0.637 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCc2ncncc2C1 1636797088 WOUQZXSZMLMODU-UHFFFAOYSA-N 401.492 0.979 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc[n+]3[O-])CC2)cc1 1640017052 PERKOSZKLJZXDG-UHFFFAOYSA-N 420.491 0.210 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N(CCO)CCN3CCOCC3)C2)cc1 1230299997 ANISVIQLEALHFH-SFHVURJKSA-N 406.527 0.858 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cnn4c3S(=O)(=O)N(C)CC4)cc2)CC1 1303085046 LEVGRBDDEUJTNS-UHFFFAOYSA-N 418.523 0.199 10 10 HCCE CCn1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1461397125 JSPKQWMREMDWKN-UHFFFAOYSA-N 421.523 0.793 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@H]3CC34CC4)CC2)cc1 1470728879 DHBUNNKLCORPTK-KRWDZBQOSA-N 408.524 0.999 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1F 1566347733 SERZJOBXEUMMAR-ZDUSSCGKSA-N 404.402 0.497 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 1631612763 XMBPMDGMVUWESI-QAPCUYQASA-N 415.498 0.452 10 10 HCCE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(O)c3O)ncnc1-2 790653438 IZGPEWVIVXOVKO-UHFFFAOYSA-N 407.228 0.752 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CNC(=O)O4)C3)CC2)cc1 1142625193 DOJKHTZLUSYPJJ-VOTSOKGWSA-N 400.435 0.221 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCO[C@@]2(CCOC2)C1 1312983896 QJXRDBKAAUILOM-IBGZPJMESA-N 409.508 0.622 10 10 HCCE CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)N1CCS(=O)CC1 740927525 HAUITFOJENZUSZ-UHFFFAOYSA-N 403.526 0.336 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CC2)cc1 1142565712 HDBJLSRYKJAILX-IBGZPJMESA-N 410.540 0.405 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)C[C@@H]3C)CC2)cc1 1299280032 AIMLFQDJCXDSPC-DVBCCOPCSA-N 416.522 0.425 10 10 HCCE COC(=O)[C@@H]1C[C@H](O)CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1307906006 UUQMXSYUFWLDGD-NZSAHSFTSA-N 407.511 0.034 10 10 HCCE CO[C@H]1COCC[C@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470252187 WOSDGFYVYXTNNQ-WMZOPIPTSA-N 411.524 0.772 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CCN(C)CC3)CC2)cc1 1557399091 MWPMXEAVZGPBBX-UHFFFAOYSA-N 424.567 0.605 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1567306480 QIEAYXBRVBFQRQ-HIFRSBDPSA-N 416.434 0.475 10 10 HCCE CN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CCC[C@H](N2CCOCC2)[C@@H]1O 1615077490 YBUWAHLTEXMYCM-WSTZPKSXSA-N 400.479 0.852 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCN3CCC(O)CC3)cc2)CC1 1638484316 JXZHNEWBJJFLFI-UHFFFAOYSA-N 403.527 0.644 10 10 HCCE CN(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1681658077 AUQGPNWVPSKEGL-UHFFFAOYSA-N 411.528 0.079 10 10 HCCE O=C(NCC(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1)c1ccccc1 169859641 QGOIFUZPFLRGRD-UHFFFAOYSA-N 413.430 0.954 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H]3COCCN3CC(F)F)CC2)cc1 1292283568 WXGMYMSLKBBJFQ-GOSISDBHSA-N 412.481 0.899 10 10 HCCE CO[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)OC(C)(C)C 1461458136 BMAZTCVFLBXYEU-INIZCTEOSA-N 412.508 0.894 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCCS(=O)(=O)C1 1469572204 SODRZPXRRWIOBO-HNNXBMFYSA-N 415.537 0.298 10 10 HCCE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1503488326 SQRRJXXEXFJLEN-UHFFFAOYSA-N 422.511 0.405 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3COCC[C@H]3OC)CC2)cc1 1652672906 WLSAYTXYLWKLDD-JNVNVXKGSA-N 403.479 0.820 10 10 HCCE COCCn1c(C)c(C)c2cc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)ccc21 1178720583 BTOSEGNFGNTGFM-MRXNPFEDSA-N 406.508 0.879 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)N(C)C)cc1 1586054640 KZNHPEGGCMOXIW-WUOIFLIFSA-N 414.506 0.634 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](c4ccnn4C)C3)CC2)cc1 1660377782 MDCYTALTSFISFG-SIKLNZKXSA-N 415.538 0.985 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 1687632820 UUGSSWSXQMSVQD-IRXDYDNUSA-N 417.554 0.985 10 10 HCCE C[C@H]1CN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 917930372 RDBRESVRAJBBEJ-HLLBOEOZSA-N 410.540 0.832 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@@H]3C(=O)NN=C3C)CC2)cc1 1136653714 FIBZZNSLWMROAU-ZEVQVBBLSA-N 413.478 0.528 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]c(C)c3C)CC2)cc1 1146355587 LBNDKJZVAMQCSR-UHFFFAOYSA-N 421.523 0.917 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)N(C)C)cc1 1304767364 DWZRZVKPXWZZEQ-QGZVFWFLSA-N 420.539 0.616 10 10 HCCE COC(=O)[C@@]1(N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)CCOC1 1460462572 MFGMFXHOACUFDW-OAQYLSRUSA-N 404.511 0.319 10 10 HCCE CS(=O)(=O)C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1 1565127021 IBGFUGIAOAUBSG-GOSISDBHSA-N 411.524 0.603 10 10 HCCE O=C(N[C@@H](CO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)n1 1625090026 MJUCEPMGDGUPOY-INIZCTEOSA-N 420.416 0.604 10 10 HCCE COc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc(OC)c1OC 1654082602 NRWOFDJVUJLTFD-WMLDXEAASA-N 400.497 0.646 10 10 HCCE CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)C1 1314925932 DWMXOUQUNNBAMW-NRFANRHFSA-N 414.510 0.809 10 10 HCCE CN1CCn2nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2S1(=O)=O 1356037681 ZXRVDDYFPQUOGQ-UHFFFAOYSA-N 423.470 0.423 10 10 HCCE O=C(CN1CCCS1(=O)=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768534414 YOHSIQZUVUDARX-UHFFFAOYSA-N 406.552 0.870 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCC(O)CC3)cc2)C1 1542180401 KRRRVVNRWUGTFF-KRWDZBQOSA-N 416.522 0.768 10 10 HCCE COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(S(N)(=O)=O)CC2)CCCC1 1651012350 KHILJPQMAFZYQR-UHFFFAOYSA-N 406.508 0.876 10 10 HCCE CC(=O)OC[C@@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 72099158 DPAXDKFCBLGMIZ-ZVDSWSACSA-N 417.371 0.396 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC(F)C3)CC2)cc1 1252760074 LAOQWRFWHHXMCT-UHFFFAOYSA-N 400.476 0.510 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 1452833165 INXHHSHXFCAZGE-DOTOQJQBSA-N 423.535 0.625 10 10 HCCE CN(C)C1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 1565044397 NPJDGXFZTWBQDF-UHFFFAOYSA-N 424.567 0.831 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 1616252865 XFOFAGIYZGLYFK-UHFFFAOYSA-N 406.450 0.860 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCc3nncn3C)CC2)cc1 1159188333 SIKDJMAQOFPLTM-KTKRTIGZSA-N 412.494 0.778 10 10 HCCE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2c(O)cccc2O)cc1 1472062997 BJGWWIPXBUNUJT-UHFFFAOYSA-N 407.448 0.993 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn(C(F)(F)CO)nn1 1566849601 NOJHTKNDPKFEQT-UHFFFAOYSA-N 404.757 0.994 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](O)C(C)(C)C)CC2)cc1 1632291444 USXKWGSVEUUFPP-KRWDZBQOSA-N 413.540 0.670 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)cc1 1633419083 XVJIAQADFPLVED-OAHLLOKOSA-N 419.507 0.947 10 10 HCCE CC(C)N1C[C@@H](C(=O)NC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169862657 LQSBZBYCSWJUDT-ZDUSSCGKSA-N 405.451 0.781 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCN3CCCS3(=O)=O)CC2)cc1 742919369 GXENMEQJMWLOLD-UHFFFAOYSA-N 410.540 0.359 10 10 HCCE COC(=O)[C@@](C)(CO)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1460208281 GTKFOIQSBKSPBB-LAPQFRIASA-N 411.474 0.569 10 10 HCCE Cc1cn2nc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2c(=O)[nH]1 1464361405 LIOQFOITJNSNBC-OAHLLOKOSA-N 408.462 0.963 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCn4c(O)nnc4C3)CC2)cc1 783710709 TVORYOJWAHXWEW-SREVYHEPSA-N 412.450 0.240 10 10 HCCE CN(C)S(=O)(=O)N1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 811519458 XWZPDUZVQWDICI-UHFFFAOYSA-N 400.520 0.976 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(n2cnnn2)CCCCC1 1130780707 XFOALOAPIRUYJR-UHFFFAOYSA-N 418.523 0.884 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCc4nnc(O)n4C3)CC2)cc1 1442467321 FQHNQMZWIPSZAU-OAHLLOKOSA-N 400.483 0.493 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)n2nnnc2N1C 1471912168 KKBULXHBFYKJAV-AWEZNQCLSA-N 424.509 0.976 10 10 HCCE CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1503280894 DGSCSOUUOQUTNS-CQSZACIVSA-N 422.511 0.511 10 10 HCCE COCC[C@@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796823 QHVDQNCIXWEMNN-GOSISDBHSA-N 411.524 0.868 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865033006 PRHKXJJTQRRCJF-INIZCTEOSA-N 413.478 0.862 10 10 HCCE CNC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945121 OUKICJYKGPMCJG-UHFFFAOYSA-N 405.457 0.825 10 10 HCCE C[C@@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)c1ccc(N2CCOCC2)cc1 1136443080 PINQKMSDVJGJDP-CQSZACIVSA-N 419.507 0.845 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H](N4CCOCC4)C3)CC2)cc1 1559851609 PVGGYAGRTKUBDA-FGZHOGPDSA-N 418.582 0.975 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N(C)C)cc1 1616858623 PEQKVFPIZPSGKV-GOSISDBHSA-N 417.535 0.969 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)N(C)C)cc1 1685608597 DVTDPVCEETXKAE-ICSRJNTNSA-N 424.567 0.954 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)[C@H](O)C1 2182634366 LDRFDHCYGNYALP-LSDHHAIUSA-N 401.485 0.547 10 10 HCCE CN1CCN(c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2F)CC1 1337001238 PDKFGXNFTQRYLB-UHFFFAOYSA-N 419.545 0.554 10 10 HCCE C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565043633 AFCZIVVKTFQISA-OXWSONJVSA-N 413.565 0.972 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(N4CC[C@@H](O)C4)CC3)CC2)cc1 1620437139 RFZVLRCILCLUAL-FGZHOGPDSA-N 418.582 0.709 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2)cc1 1620560445 UMERAHZBKGJKLP-HBFSDRIKSA-N 423.579 0.545 10 10 HCCE CS(C)(=O)=NC(=O)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1681850374 XXKNCFWXJQDEIF-UHFFFAOYSA-N 404.439 0.855 10 10 HCCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 775975480 OZBFODYQQQOJFQ-QWHCGFSZSA-N 400.453 0.946 10 10 HCCE CS(=O)(=O)N1CCN(CC(=O)NCc2cc(Br)ccc2O)CC1 804734495 NOQYHUMGLUDMFM-UHFFFAOYSA-N 406.302 0.348 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)cc2)CC1 1246381430 FIJFJWMKJPAVEJ-QGZVFWFLSA-N 409.556 0.519 10 10 HCCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1622328398 XJZIGXZZWHTXNA-SNVBAGLBSA-N 411.260 0.695 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 1641592371 DAFMUPCJVXLGEV-UHFFFAOYSA-N 403.482 0.014 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(O)(COCCO)CC3)CC2)cc1 1654834720 UCCUKDQHRDZCMX-HXUWFJFHSA-N 423.554 0.014 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1682986313 ALRADEKEIOYBBP-UHFFFAOYSA-N 403.527 0.611 10 10 HCCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)NC(C)C)CC2)cc1 1872641769 UMCJYWPLSQACBY-UHFFFAOYSA-N 417.466 0.873 10 10 HCCE COCCNC(=O)CN1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 931385496 HKPBXWVZTIBGOC-XQRVVYSFSA-N 406.439 0.666 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H](O)CN1c1ccncn1 1141901640 JNAWQZBERHFQJL-YJBOKZPZSA-N 401.442 0.708 10 10 HCCE O=C(CN1CCC[C@H]2OCCNC(=O)[C@@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1644267269 DBEABRVECQICBR-UYAOXDASSA-N 420.485 0.258 10 10 HCCE COC(=O)[C@H](C[C@@H]1CCCO1)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1176020111 DXBXVIITFJFUGT-JBACZVJFSA-N 421.538 0.878 10 10 HCCE O=C(CN1CCN(c2nccnn2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1196383123 HPURAPHMHGSDPE-UHFFFAOYSA-N 415.473 0.286 10 10 HCCE CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1296155048 APPZCSZANGLDAT-ZDUSSCGKSA-N 415.512 0.689 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(n2cnnn2)CCOCC1 1436623588 FFHPWYVSMYBSFL-UHFFFAOYSA-N 408.409 0.610 10 10 HCCE O=C(CN1C[C@@H]2CCCN2C[C@@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 1473775164 PEKBWSQDOSPNDH-ZWKOTPCHSA-N 406.502 0.419 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CCCCS3(=O)=O)cc2)C1 1534541365 XLGDHYZLTSSKFZ-INIZCTEOSA-N 408.524 0.430 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(=O)c(O)co3)CC2)cc1 1640006868 VHPKQYUAJYUKGG-VOTSOKGWSA-N 413.430 0.875 10 10 HCCE CNC(=O)C1(NC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCOCC1 1660180348 NDCUXMJBOMGYKB-SFHVURJKSA-N 406.527 0.063 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](S(=O)(=O)N(C)C)C3)nc12 796130555 ZKPGJXSXIPSYPA-ZDUSSCGKSA-N 411.484 0.467 10 10 HCCE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1312990333 LZAJTDJKILPPBS-ROUUACIJSA-N 411.524 0.507 10 10 HCCE O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)CCN1 1469161323 YBQQJBDFKKMUOK-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cn(C)c4c(cnn4C)c3=O)CC2)cc1 1583753138 SDQKMNOJWWIQQZ-UHFFFAOYSA-N 424.505 0.833 10 10 HCCE COC(=O)c1cn(CCNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nn1 1682494447 QBAMLWMYGSJTQR-UHFFFAOYSA-N 424.408 0.679 10 10 HCCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2086865151 PVINPBUBCNQWEZ-ZDUSSCGKSA-N 420.451 0.769 10 10 HCCE COc1ccc(N2CCN(CCNC(=S)NCCN3CCOCC3)CC2)cc1 742910334 FQTLNTMUUVTDLP-UHFFFAOYSA-N 407.584 0.614 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccn(C)c3)CC2)cc1 1130659972 OPWJXNWVVQKZKL-UHFFFAOYSA-N 406.508 0.916 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN(C)S(=O)(=O)c1cccnc1 1142689796 BSJUHGICHYUCNL-UHFFFAOYSA-N 421.475 1.000 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@]3(C)CCC(=O)N3)CC2)cc1 1161074098 TUTRLJZHUUZABD-CQQBXOTJSA-N 400.479 0.685 10 10 HCCE NC(=O)c1csc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1478945716 WIHYISFFAHAOFY-UHFFFAOYSA-N 423.520 0.476 10 10 HCCE CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1620117154 SZQHAENXSSZFIZ-CQSZACIVSA-N 424.527 0.771 10 10 HCCE O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 1629963371 LCCFMHGMALGWQF-UHFFFAOYSA-N 418.473 0.986 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCCF 1687006622 NJZYEPPXZSNNSD-ZDUSSCGKSA-N 400.476 0.195 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1711095785 YBHWWQNLGZBXAL-CQSZACIVSA-N 422.511 0.511 10 10 HCCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(CCO)CC1)c2NCCO 20108081 HBPYPVZCDPPJNQ-UHFFFAOYSA-N 423.469 0.616 10 10 HCCE CCN1CC[C@@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 802372239 OEKPHQXQAWUCBQ-GFOMBABLSA-N 400.479 0.637 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 1585653905 KDJMZRMHGCOFAX-CEXWTWQISA-N 421.519 0.607 10 10 HCCE O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]2CCCC[C@@H]2N1 1683731336 OUGJAHWADNQXFB-ZWKOTPCHSA-N 420.535 0.874 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)cc2)CC1 1684875033 XQEPFOKSPDNYBP-GOSISDBHSA-N 423.583 0.909 10 10 HCCE CNC(=O)N[C@H]1CCCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1560141971 IEMWCNIOLGKZNC-HKUYNNGSSA-N 405.543 0.572 10 10 HCCE O=C(CN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)N1CCOCC1 729224171 OVTRVLCKKAPLFE-UHFFFAOYSA-N 415.538 0.973 10 10 HCCE CN(C)CCn1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 768715556 SAHHLNFQKURLDB-UHFFFAOYSA-N 414.510 0.878 10 10 HCCE O=C1NCCn2c(CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nnc21 1471203859 IQWFNLMTXIZWEQ-AWEZNQCLSA-N 400.439 0.618 10 10 HCCE CC(=O)N(C(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(N)cc1 170318872 YAIOTAUYUSGGMF-UHFFFAOYSA-N 404.448 0.155 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCSC[C@@H]1CCO 789800130 LQOWFSIKBOUJIA-HNNXBMFYSA-N 411.499 0.605 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCC4)cc2)CC1 1556199708 SZQWCIQHAWCNKJ-UHFFFAOYSA-N 412.494 0.366 10 10 HCCE O=C(CNC(=O)c1ncccc1O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1626058819 JCPXIUXRGCHALZ-UHFFFAOYSA-N 406.389 0.948 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864018760 CEIKCWRVHMZGHX-HNNXBMFYSA-N 415.450 0.341 10 10 HCCE C[C@]1(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC(=O)NC1 798781233 RFYLHGYDQDIHFR-FQEVSTJZSA-N 407.442 0.738 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2F)C[C@@H](C)O1 1170470036 UCLVTWXIRNXYBU-SDSIWUNFSA-N 418.469 0.260 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)COC1 1178039407 SIUMRXNVLGFDLO-UHFFFAOYSA-N 409.508 0.066 10 10 HCCE Nc1ncc2c(n1)CN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2 1647784650 TYQUPIFLXXJYBC-UHFFFAOYSA-N 400.458 0.709 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1686857009 ZCEKHZXASJRXAY-WBVHZDCISA-N 405.499 0.861 10 10 HCCE CS(=O)(=O)CCC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868152024 RPXBYJVRGBRJJR-UHFFFAOYSA-N 414.439 0.951 10 10 HCCE NC(=O)[C@@H](F)C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1460641122 PBUWDCKYYFHCQZ-IBGZPJMESA-N 410.465 0.814 10 10 HCCE CCCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1468853127 KCINUDFXRIRQBY-HOCLYGCPSA-N 401.506 0.898 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)[nH]n3)CC2)cc1 1644651897 CZYAGKCLVCRLES-UHFFFAOYSA-N 407.496 0.609 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cc1 744350372 GFYYFYDXANHYRI-HMIGGYHTSA-N 413.474 0.895 10 10 HCCE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3c(O)cccc3O)CC2)cn1C 1635843497 VDDPCQCSDFSTNQ-UHFFFAOYSA-N 408.480 0.857 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1763134630 CFCRNRHAVQWHNC-CQSZACIVSA-N 415.473 0.241 10 10 HCCE Cn1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c(=O)n(C)c1=O 768532464 KIFBJOLJWZTWIZ-UHFFFAOYSA-N 411.506 0.546 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(O)(CO)CC3)CC2)cc1 1452996186 HSVBAOCGFGVYDH-VOTSOKGWSA-N 403.479 0.246 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@H]([C@@H](C)O)C3)CC2)cc1 1556995977 PQFYFKCYELEFOC-WHJOBHEISA-N 403.479 0.508 10 10 HCCE Cn1ncc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1-n1cnnc1 1645592032 OVAOFFARSMEJGK-UHFFFAOYSA-N 408.466 0.633 10 10 HCCE CS(=O)(=O)c1nccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 816891551 WJJQWSMOYOJIOO-UHFFFAOYSA-N 408.455 0.910 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)N1 1136284804 CXJVWHXVXARVIQ-AWEZNQCLSA-N 407.414 0.850 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CCO)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1460964836 JIYAHMNOASYETA-PSBWJHGTSA-N 423.529 0.978 10 10 HCCE CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1554508623 ZAYHACNWPYBYQQ-ZDUSSCGKSA-N 408.484 0.120 10 10 HCCE CN1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C1 1618466203 KWHZFRHCLAYIDJ-YWZLYKJASA-N 400.483 0.638 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](O)[C@@H]3CCCO3)CC2)cc1 1640489849 YAMDEQOAQJFCBM-IDPBEMBBSA-N 403.479 0.556 10 10 HCCE CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1672850628 TWRPXUKFXYRHBP-ZDUSSCGKSA-N 402.492 0.994 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)cc1 1673826191 JXNFGIKBUBYXAT-HOCLYGCPSA-N 409.512 0.065 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 789800163 MJIPXEGFNOSTLV-QGZVFWFLSA-N 419.375 0.804 10 10 HCCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccc(N6CCS(=O)(=O)CC6)cc5)[C@@H]4[C@@H]3[C@@H]12 800436845 MQOJCYRGZMYMTQ-CTSDAZPPSA-N 412.511 0.865 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)CC1 1536925127 QTSNKWIHLZACNI-UHFFFAOYSA-N 422.489 0.314 10 10 HCCE CC(=O)OC[C@@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616582611 DPAXDKFCBLGMIZ-AALSBFMBSA-N 417.371 0.396 10 10 HCCE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NCc1ccc(N(C)C)cc1 749557215 FLBQXYMLQJKOGE-PSBWJHGTSA-N 403.479 0.794 10 10 HCCE NC(=O)C12CCC(CC1)N2C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230797892 CHAPUOWOURQKIL-UHFFFAOYSA-N 406.508 0.613 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)C[C@@H]3CCCO3)CC2)cc1 1303691249 WCTPSBSUOXJNNX-BGJHAKSCSA-N 417.506 0.946 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1470019018 CBJLWPAFSQHUBF-KGLIPLIRSA-N 407.496 0.491 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H]1C 1517374321 WUGWIXJOTUNYQD-MOIQIXESSA-N 403.479 0.971 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC(F)(F)C3)CC2)cc1 1683684427 WBOIBCYRYWWABH-UHFFFAOYSA-N 418.466 0.808 10 10 HCCE CN(C)c1nc(CNC(=O)CN2C(=O)CSC2=S)nc(N2CCCCC2)n1 585296209 MSVNTYQZFKQALH-UHFFFAOYSA-N 409.541 0.404 10 10 HCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1cc(F)c(N2CCOCC2)c(F)c1 1524851354 OLYRQWSFULARMM-UHFFFAOYSA-N 407.421 0.812 10 10 HCCE O=C(NCCCn1cc(CO)nn1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1312833442 IGBHQLHSCSXXJC-UHFFFAOYSA-N 410.425 0.775 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2F)CC1 730194249 CRWBKWATMAFEKC-UHFFFAOYSA-N 405.474 0.914 10 10 HCCE CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312984005 RMGLCTLPLMDYLU-QGZVFWFLSA-N 408.524 0.587 10 10 HCCE CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479344898 XSSAPVUHUUEVLZ-GOSISDBHSA-N 418.494 0.862 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)cc1 1564962132 GKLRDEFUKIKFLK-CRAIPNDOSA-N 411.524 0.977 10 10 HCCE CCON(CC)C(=O)CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640574238 WOAUZEWJXCIZLJ-ZHACJKMWSA-N 418.494 0.816 10 10 HCCE CN1C(=O)CC[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1683500333 PGOYYZWOWHDAOK-INIZCTEOSA-N 401.467 0.335 10 10 HCCE NNc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1N 20921848 PTRRVDFJXGXTHH-UHFFFAOYSA-N 409.431 0.784 10 10 HCCE CO[C@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCS(=O)(=O)C1 1129661627 QIVCTESCGPIQPJ-QGZVFWFLSA-N 404.435 0.621 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)N(C)C)cc1 1134686560 ONYWZAHBRWOAFX-SFHVURJKSA-N 419.551 0.990 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3O)cc2)CC1 1176083341 HVPAUBOOARBLHI-UHFFFAOYSA-N 404.492 0.721 10 10 HCCE COC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CS(=O)(=O)C1 1354658763 RGMFTDSYPSDNKO-BETUJISGSA-N 400.472 0.869 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCS1(=O)=O 1478944483 CYNCTPXWUNIOCM-CQSZACIVSA-N 415.537 0.250 10 10 HCCE O=C1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC[C@@H]2N1 1565044991 XQQKUBFIGQMRAQ-AEFFLSMTSA-N 420.535 0.732 10 10 HCCE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc2cc(O)c(O)cc2s1 1627714171 XACSNVSLWBSWJB-RYUDHWBXSA-N 412.489 0.540 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2)cc1 1312993392 AESPYFKOJDUMDX-DNVCBOLYSA-N 409.508 0.873 10 10 HCCE CN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccnc3)cc2)CC1 1643610577 XDUKVYZETPRLQH-UHFFFAOYSA-N 403.508 0.428 10 10 HCCE CCS(=O)(=O)CCCNC(=O)C1=S=C(NC(=O)c2ccc(OC)cc2)C=C1 1129734808 YNLJNPTZMDDUQB-UHFFFAOYSA-N 410.517 0.971 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3c(CC(N)=O)cccc3C2)c1 1151418989 BRLWJFLFBPYBLU-UHFFFAOYSA-N 403.460 0.990 10 10 HCCE CN1C(=O)C[C@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1=O 1467486231 XBJOIKVOWZMOJH-NSHDSACASA-N 409.445 0.742 10 10 HCCE COCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1531318935 YJSHFQZPEVIAFI-UHFFFAOYSA-N 413.540 0.936 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COCCN3CC(F)F)cc2)C1 1625271939 UXSLNMIXWIZINH-WBVHZDCISA-N 410.465 0.970 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1c(O)ccc2c1CCCC2 1445900554 JWTJVSVBSUZNGS-UHFFFAOYSA-N 411.524 0.721 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](N(C)C(=O)N(C)C)C3)CC2)cc1 1460528340 YBUGTFFLGMLUHL-VQTJNVASSA-N 419.570 0.866 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)c(OC)c1 1471204656 SKMFHBJWLCPJMO-UHFFFAOYSA-N 415.454 0.071 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccnc3)CC2)cc1 1531315513 BPUHUSRFQVCVFR-UHFFFAOYSA-N 404.492 0.972 10 10 HCCE COC(=O)[C@]1(C)C[C@@H](OC)CN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1647992859 BBKIDZJTGLVYJV-DWLFOUALSA-N 421.538 0.831 10 10 HCCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1142091235 UVCVCMZMBLULAO-KRWDZBQOSA-N 403.458 0.690 10 10 HCCE COc1cc(N2CCN(C(=O)NCc3nnc(O)n3C)CC2)cc(OC)c1OC 1235624561 VEQCNRUHXHSSLR-UHFFFAOYSA-N 406.443 0.578 10 10 HCCE CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)CCN2C1=O 1478955957 AZHALZRWZJWJBF-PBHICJAKSA-N 401.467 0.952 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC2(CC1)C[C@H](O)CNC2=O 1479030102 DACIEYCKIIYYCC-IBGZPJMESA-N 416.522 0.820 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)cc1F 1565240146 QUABUNCARMKXEG-LJQANCHMSA-N 408.430 0.887 10 10 HCCE CCOCCOC1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1470751411 BBDDDEANCLDNBN-UHFFFAOYSA-N 411.524 0.868 10 10 HCCE CN(C)S(=O)(=O)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1478744228 GUJKTELPOUTVRI-UHFFFAOYSA-N 406.455 0.492 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCOC4(CCN(C)CC4)C3)CC2)cc1 1559938836 YTTMKQMGUWWYQU-OAQYLSRUSA-N 418.582 0.975 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1768682075 RYJDABXUZRUEFG-AWEZNQCLSA-N 417.495 0.699 10 10 HCCE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865027914 NMUXVXYNJQIRQQ-HNNXBMFYSA-N 401.423 0.168 10 10 HCCE Cn1ccnc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1=O 745748444 ZBOQNLSNRHCZPG-UHFFFAOYSA-N 412.494 0.649 10 10 HCCE Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 754488980 MFMJCGSCGZXFST-INIZCTEOSA-N 412.494 0.994 10 10 HCCE COC(=O)CC1(NCC(=O)NCc2ccc(N(C)C)cc2)CCS(=O)(=O)CC1 1459987450 IKGHDZFMDRNPSI-UHFFFAOYSA-N 411.524 0.469 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)cc2)CC1 1479344644 VINLTCNNFWFWBH-OAHLLOKOSA-N 423.539 0.208 10 10 HCCE COCCN1C(=O)/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC1=S 6088600 ZPWTVMDBBYRHCC-ZRDIBKRKSA-N 406.489 0.946 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCc3nnc4n3CCC4)cc2)C1 754911670 VPTOSCNCDYSAQM-MRXNPFEDSA-N 411.510 0.968 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](O)C(F)(F)F)CC2)cc1 778305568 MYAWXJLXKUVMBD-XHPSBEMXSA-N 401.385 0.939 10 10 HCCE O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)CCN1 1176748095 JOKBLJYHZQTHAI-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1F 1252877423 LWCYHNSUDHFWMP-GDBMZVCRSA-N 401.460 0.478 10 10 HCCE COCC[C@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796825 QHVDQNCIXWEMNN-SFHVURJKSA-N 411.524 0.868 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H](C)CN1CCO 1685330950 IMRFLXQJZFZPRQ-IRXDYDNUSA-N 417.554 0.985 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1686857007 ZCEKHZXASJRXAY-NVXWUHKLSA-N 405.499 0.861 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)cc2)CC1 1687441557 QRZNSCRJYAPZAM-LJQANCHMSA-N 415.538 0.611 10 10 HCCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCO)[C@H]2c1ccc(O)c(O)c1 1864015850 XACBHQFHVJXWDX-JTQLQIEISA-N 414.340 0.653 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3cscn3)CC2)cc1 803748349 CHSRUAYXAALZAZ-UHFFFAOYSA-N 403.508 0.706 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CN(C(C)=O)C[C@H]4C3)CC2)cc1 1197326648 UAHJWUFKIWZAME-SVFBPWRDSA-N 402.539 0.588 10 10 HCCE CCOC(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1469899818 BKHBVZDAILRWHH-UHFFFAOYSA-N 413.496 0.216 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 1616251901 LWAHRCWKQMGPRD-MOPGFXCFSA-N 402.495 0.784 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3C(=O)OCC3(C)C)CC2)cc1 1623585466 HACVHQXXYZSFRX-SGQUHAKNSA-N 401.463 0.968 10 10 HCCE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1644112487 JNRAHKAFDQRAAP-KKSFZXQISA-N 423.485 0.931 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 1437382828 RIEYFLJQPXQXCG-UHFFFAOYSA-N 413.478 0.793 10 10 HCCE COC(=O)C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1565363330 NAIRWGMARDDQOO-SFHVURJKSA-N 418.494 0.862 10 10 HCCE COC[C@@]1(CO)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1569205632 NYHSUSZUJOGVAS-RHVSLNNASA-N 417.506 0.757 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(C(F)(F)CO)nn3)cc2)C1 1630737874 DCMQCEFFQNKZPK-CYBMUJFWSA-N 408.409 0.451 10 10 HCCE O=C(NCc1cccc(O)c1O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644710576 DPZRYBNPKHQUKT-CYBMUJFWSA-N 400.840 0.707 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)cc2)C1 793720580 PLKAJLOVZXPWBD-SZMVWBNQSA-N 414.506 0.519 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 1469665498 ZHBJIVXKDRSFFX-HMTUNPETSA-N 414.506 0.177 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccnc(N4CCOCC4)n3)cc2)CC1 1556199092 AMZIUZPAWDGMBH-UHFFFAOYSA-N 424.505 0.912 10 10 HCCE CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1256237277 VYAPPXBKHRKJNM-WOJBJXKFSA-N 407.559 0.690 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@@](CO)(OC)C3)CC2)cc1 1557410096 DBSQCTKOBLMCLP-FMFFHWJCSA-N 417.506 0.900 10 10 HCCE C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1CS(N)(=O)=O 1565452829 MFQDTTAFDNNZMI-HFTRVMKXSA-N 411.572 0.921 10 10 HCCE COc1cc(OC)nc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1617143290 RBDYDMOXSVNQRL-UHFFFAOYSA-N 406.464 0.659 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)cc2)CC1 1638586877 DBXJXSMZLUJEFQ-UHFFFAOYSA-N 405.520 0.796 10 10 HCCE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(O)cc3O)cc2S1(=O)=O 1639441350 RAORZEKICWUUIZ-UHFFFAOYSA-N 406.416 0.819 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 2182634364 LDRFDHCYGNYALP-GJZGRUSLSA-N 401.485 0.547 10 10 HCCE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H](C(=O)OC)N(c2ccc(OC)cc2)[C@H]1C(=O)OC 96576549 STWLDDHSRULJQM-LXTVHRRPSA-N 409.391 0.177 10 10 HCCE CNS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1254716367 LCTQFBCMQPGLPH-UHFFFAOYSA-N 424.571 0.166 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(-c2cccnc2)nn1 1278771649 KOGPMLMSKHYJNX-UHFFFAOYSA-N 412.475 0.827 10 10 HCCE NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1635997014 VGVAUQYOVZFPHX-GFCCVEGCSA-N 404.439 0.374 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1683182617 XWAALXOJOZQCKW-KBPBESRZSA-N 422.482 0.602 10 10 HCCE COC[C@@]1(CO)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683729944 AMXJYGKEPCNGBF-IBGZPJMESA-N 411.524 0.462 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1696700214 WDNZMJMTGYZTFM-UHFFFAOYSA-N 411.466 0.879 10 10 HCCE CC[C@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O 238765539 YCGOFCMTIPNCPZ-JRXYNJKESA-N 402.355 0.896 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@@]4(CCOC4)C3)CC2)cc1 769625363 QHQRPPOFZDPCNX-WMWRJIBUSA-N 415.490 0.918 10 10 HCCE CC[C@H](CO)N1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779222179 IQMZZESIWCAVTE-CTNGQTDRSA-N 406.571 0.567 10 10 HCCE COC1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 1230643498 MESFYMHZGLEJKQ-UHFFFAOYSA-N 411.524 0.916 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(N2CCNC(=O)C2)ccn1 1570514485 CLYQEAVQFMUQCH-UHFFFAOYSA-N 412.446 0.929 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)[C@H]4CCC[C@@H]43)CC2)cc1 1617910292 JWJDWVUEOFCRKA-JBACZVJFSA-N 423.579 0.830 10 10 HCCE COc1cccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c1O 1630366244 NCOZBYMEGZXMQN-IINYFYTJSA-N 400.478 0.806 10 10 HCCE CNS(=O)(=O)CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1675078977 AHMRQBDECYWPBK-UHFFFAOYSA-N 413.544 0.056 10 10 HCCE OC[C@H]1O[C@@H](Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O 2297719109 PERPNFLGJXUDDW-OUUBHVDSSA-N 406.387 0.153 10 10 HCCE CCN1CC[C@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 802372240 OEKPHQXQAWUCBQ-GIFJBRJJSA-N 400.479 0.637 10 10 HCCE COCCNC(=O)CN1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 931385485 HKPBXWVZTIBGOC-GQCTYLIASA-N 406.439 0.666 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncccc3N)CC2)cc1 1300445022 RUTDXSPBWFKSMB-UHFFFAOYSA-N 419.507 0.554 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc(C(N)=O)c3)cc2)CC1 1324587573 CNGIZYCWPMQNCH-UHFFFAOYSA-N 416.503 0.933 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CO)c3cncn3C)CC2)cc1 1630599687 QXEBERTUIVBNIC-DVBCCOPCSA-N 413.478 0.483 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(=O)OC 1253512838 ZLXYIZDEMQJPDN-QZTJIDSGSA-N 419.478 0.751 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C2CC2)C(=O)C1 1565043656 AZKRRMXZRZNEIA-UHFFFAOYSA-N 406.508 0.438 10 10 HCCE CCN1C[C@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1636110478 PGBUQWHEKOURQN-ROJDOSBLSA-N 400.479 0.637 10 10 HCCE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1F 1766909871 VHZYACPJOPWPPB-OAHLLOKOSA-N 415.473 0.809 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccnnc3C)CC2)cc1 1146355462 FMNRDARLBQDBMK-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE C[S@](=N)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1251103719 HGSAPKUCDDWHJM-GDLZYMKVSA-N 422.555 0.807 10 10 HCCE CN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCS(=O)CC1 1674271884 PXPJCSOURPRLFH-UHFFFAOYSA-N 413.565 0.974 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC=C[C@@H]3CO)CC2)cc1 1682526063 RBIOJGAPBUIKGD-QGZVFWFLSA-N 424.523 0.089 10 10 HCCE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)C(C)=O)CC1 808494236 MCWRDLJFFDRQFM-UHFFFAOYSA-N 411.432 0.575 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1C[C@H]2CCCCN2C1=O 1229664666 YJNRBRMPXGDRDP-QZTJIDSGSA-N 420.535 0.874 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CCNS(C)(=O)=O 1303334029 JBTYLORGXGHXGJ-UHFFFAOYSA-N 410.500 0.308 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)n3cnc4c(N)ncnc43)cc2)CC1 1447716425 WUKGIYVVOOSTSQ-AWEZNQCLSA-N 422.493 0.954 10 10 HCCE C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(N2CCOCC2)cc1 1626978540 UCNWSPGUGPAPST-ZDUSSCGKSA-N 420.491 0.569 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1729420297 LYTCXEPZRNHNDD-DNVCBOLYSA-N 422.507 0.674 10 10 HCCE CNC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1197758083 FCZCSSMDTYLMCN-MRXNPFEDSA-N 407.490 0.672 10 10 HCCE Cn1nnnc1CCCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1251103238 CHDXBDQCFWIRFG-UHFFFAOYSA-N 400.487 0.344 10 10 HCCE COc1ccc(N2CCCN(c3nnc(C)n3CCNS(C)(=O)=O)CC2)cc1 1300247155 HWFGSLKMFNLTPF-UHFFFAOYSA-N 408.528 0.861 10 10 HCCE CCN(CC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865730786 FWYQSDPNUKRZLV-ZDUSSCGKSA-N 416.434 0.058 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868589802 QHGLFVNJFJYCLU-CVEARBPZSA-N 423.535 0.673 10 10 HCCE O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 725876232 DZZVVKCVEUQQJN-UHFFFAOYSA-N 414.503 0.887 10 10 HCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 790562656 ZPBZHSYGAYRGJI-VGSWGCGISA-N 412.490 0.617 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 1510677028 ZLZWMHGFVPOAHY-WBVHZDCISA-N 411.510 0.964 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C 1531600191 MWLALZQUSUEWLZ-KBRIMQKVSA-N 410.492 0.504 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CNC(CO)(CO)C(F)(F)F)CC2)cc1 1620435677 DRKHWHXLVPWNBZ-OAHLLOKOSA-N 407.433 0.053 10 10 HCCE O=C(COCC(=O)NCc1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1 1633789899 SETHFWCRKJZRLJ-UHFFFAOYSA-N 412.490 0.992 10 10 HCCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2162554222 XGQHNEWQCBDHJZ-HUUCEWRRSA-N 401.485 0.859 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)OCC(F)(F)F 1296055846 YWETVSOTYPZFJL-JTQLQIEISA-N 408.329 0.977 10 10 HCCE C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(N2CCOCC2)cc1 1356167200 YNNRXOZACKQCSG-CZUORRHYSA-N 400.439 0.714 10 10 HCCE CN(CCN1CCOCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312984509 STSKGVFKGUVVOD-UHFFFAOYSA-N 410.540 0.395 10 10 HCCE CN(C)S(=O)(=O)n1ccnc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1324209220 SXUWHKVJCBIGKS-INIZCTEOSA-N 420.539 0.529 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1460664778 BSLOBDJYMJSVAG-LVYXFOGZSA-N 409.502 0.588 10 10 HCCE NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1470446236 MXTSMDUCWHTAHL-UHFFFAOYSA-N 407.496 0.198 10 10 HCCE COCC(=O)N1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1518670086 WJLAURIOOJZQQP-UHFFFAOYSA-N 414.510 0.766 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N(CCO)CCN2CCOCC2)N(C)C)cc1 1687807089 NWPDIIUWTQJCMD-FQEVSTJZSA-N 407.559 0.691 10 10 HCCE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(O)c(O)c1 1150488300 OQOSUOSIMFCPRO-MEBBXXQBSA-N 400.478 0.546 10 10 HCCE O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3cccc(O)c3O)cc2)CCN1 1633509771 XAXJWHZDHGAQNX-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE COc1cccc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1O 1675945820 YPUOYCAARXVZGB-UHFFFAOYSA-N 400.435 0.633 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncn(C)n1 1761468134 REARBHXQVMGREH-GFCCVEGCSA-N 420.499 0.407 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@H]2c1ccc(O)c(O)c1 1864009628 IYDDBFHPZFLENN-INIZCTEOSA-N 415.450 0.570 10 10 HCCE CC1(C)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1(=O)=O 756908142 BZJRYRQFAJLPMZ-UHFFFAOYSA-N 413.515 0.788 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCC3CS(=O)(=O)C3)cc2)CC1 1226422597 ZGJWYMADADFBLH-UHFFFAOYSA-N 408.524 0.622 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cncnc3)CC2)cc1 1437456786 VOMWBFUIAPKOOI-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncccn3)CC2)cc1 1437457894 BHMMIQTVCIOJBW-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1618483161 TYUIUFHGYRBMOM-HNNXBMFYSA-N 415.473 0.761 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C)C[C@H]3CO)cc2F)C[C@@H](C)O1 1620434609 YZADXXBPBPPIKH-JZXOWHBKSA-N 408.518 0.664 10 10 HCCE CN1C(=O)NC2(CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)C1=O 1684280525 MGFQZEVKTAUNKN-UHFFFAOYSA-N 415.494 0.874 10 10 HCCE C[C@@H](O)[C@@]1(C)C(=O)N[C@]1(C)[C@@H](C)C(=O)C(=[N+]=N)C(=O)OCc1ccc([N+](=O)[O-])cc1 616582068 JMGHGYFLWDFQOS-XJSVZPCESA-O 419.414 0.799 10 10 HCCE C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(N(C)C)cc1 773610564 DTIYEERHYOVNPS-QGZVFWFLSA-N 403.527 1.000 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCOC(=O)C3CC3)CC2)cc1 1140556521 ABQZJFBNLKGSJU-CMDGGOBGSA-N 401.463 0.969 10 10 HCCE COCCn1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1352411072 WIHDFZBVPSZMQC-UHFFFAOYSA-N 402.499 0.875 10 10 HCCE COCC(COC)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 1468986258 ONNUNUSJDSINTO-UHFFFAOYSA-N 401.485 0.183 10 10 HCCE CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1538131950 SVZDOUCNDQKNJG-NRFANRHFSA-N 415.494 0.725 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(c4cnn(C)c4)=NO3)cc2)CC1 1638586844 CEPZMHXWIXJIKA-FQEVSTJZSA-N 410.478 0.898 10 10 HCCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1644526494 NMNXJDXEJWSKJH-HNNXBMFYSA-N 420.539 0.155 10 10 HCCE CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1696997135 BMBCMOPXGXHTDY-LBPRGKRZSA-N 410.500 0.366 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 1570418006 CCZNRBJRNCFKFU-ZDUSSCGKSA-N 421.523 0.514 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCC2(CC1)NC(=O)NC2=O 1682407491 LAYNLBQBWBDBMF-UHFFFAOYSA-N 415.494 0.968 10 10 HCCE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCNS(C)(=O)=O 1726355700 WQKOLWBKYNCINA-UHFFFAOYSA-N 408.528 0.609 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)cc1 790708007 TUEQPYLUCIFFRO-QFIPXVFZSA-N 414.506 0.546 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCc4cnc(N)nc4C3)CC2)cc1 1147553374 VYOAFMNXOQFBKN-SREVYHEPSA-N 422.489 0.857 10 10 HCCE CS[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799056 LSGNZTZTLPQTEA-CZUORRHYSA-N 401.554 0.833 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 1558395609 AWTUMTOXDKMZKG-KRWDZBQOSA-N 400.483 0.681 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CC2)cc1 1631442831 KYMXXSYCPRVFHN-RTBURBONSA-N 400.483 0.535 10 10 HCCE Cn1c(=O)c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cnc2n(C)c1=O 1641201093 QBCXOWKANUBKRX-UHFFFAOYSA-N 423.473 0.523 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@](C)(O)Cn3ccccc3=O)CC2)cc1 790708005 TUEQPYLUCIFFRO-JOCHJYFZSA-N 414.506 0.546 10 10 HCCE O=C1CC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1 815419425 VWGBFZRVPQWVDM-HNNXBMFYSA-N 407.442 0.738 10 10 HCCE COC(=O)C1(O)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 1175344519 LOEXEVOFXMAHIU-UHFFFAOYSA-N 412.445 0.614 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)N(C)C)cc1 1180179034 KFMLXJCKYGYSST-ROUUACIJSA-N 417.485 0.797 10 10 HCCE CN(CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(F)F 1470754177 QYFPNXXTRIYWDH-UHFFFAOYSA-N 404.483 0.918 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1542859184 DCAHOVPSECBMOU-UHFFFAOYSA-N 421.461 0.878 10 10 HCCE Cn1cc(C[C@@H](O)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 786866016 YWRRJNNUQSKBAX-GOSISDBHSA-N 420.441 0.159 10 10 HCCE CNC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 918121507 HMDJCRLYIZAEIH-OAHLLOKOSA-N 413.482 0.653 10 10 HCCE CS(=O)(=O)C1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCOCC1 1133848268 ZSKNHIRBGKLTTO-UHFFFAOYSA-N 423.535 0.598 10 10 HCCE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1644526612 QJLGKOVPNHKUDE-GOSISDBHSA-N 403.527 0.461 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCN(C)C)CC2)cc1 1674219539 VHTAJFQGMCLVCX-UHFFFAOYSA-N 413.544 0.008 10 10 HCCE O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\N1CCN(C(=O)c2ccco2)CC1 208733014 ZAHNUPHJOFRXHK-OWBHPGMISA-N 414.443 0.958 10 10 HCCE C[C@H]1CN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)O1 726975469 BGKMCPFVPQCGFV-GJZGRUSLSA-N 417.553 0.365 10 10 HCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1291871522 WQBTZKCUSPWOAS-DOTOQJQBSA-N 420.510 0.890 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 1442621119 XMBPMDGMVUWESI-YJBOKZPZSA-N 415.498 0.452 10 10 HCCE CN1CCN(c2ccc(CNC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)CC1 1636779821 TWZMGQODEAFLRY-IBGZPJMESA-N 415.519 0.785 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(=O)N3CCCO3)CC2)cc1 1639082647 CEHRVOPXJHTSBA-FPLPWBNLSA-N 402.451 0.180 10 10 HCCE COC1(OC)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O 1644312250 SGDYGYZDKQENBV-GOSISDBHSA-N 411.474 0.334 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)N(C)C)cc1 1682734334 LWGLUQNQHVXTRW-MRXNPFEDSA-N 400.549 0.051 10 10 HCCE CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 789827711 UWCIKHGUPHZHEU-TXTZVMOISA-N 413.515 0.940 10 10 HCCE O=S1(=O)CCN(c2ccc(CNC(=S)NCCN3CCOCC3)cc2)CC1 920994953 NKHXZQKLAMNBNO-UHFFFAOYSA-N 412.581 0.218 10 10 HCCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN(C)S(=O)(=O)N(C)C)cc1 1136480250 GONOKLHICQYIOW-GOSISDBHSA-N 412.556 0.998 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C[C@@H](C)O)CC3)CC2)cc1 778265343 KYNOZEHYKABGBJ-LKGOPFMKSA-N 416.522 0.425 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2)C1 1355489942 QQYQMXWWMNDSNE-MRXNPFEDSA-N 413.482 0.197 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3nc4ncccn4n3)cc2)CC1 1683421757 XBCNPJJTYXRCBB-UHFFFAOYSA-N 408.466 0.825 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(CCN(C)C)C(=O)C3)C2)cc1 1686855103 SGTQLZCWLOZOLN-QGZVFWFLSA-N 403.527 0.937 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)CC2)cc1 798394277 GNEXIYGAVJWVFV-APWZRJJASA-N 417.510 0.957 10 10 HCCE CN1C[C@H](CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1470754188 RAPRSMHYNYBDBJ-MRXNPFEDSA-N 408.524 0.589 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCC4)cc2)C1 1527734051 BFZLMBNHSQVHMC-MRXNPFEDSA-N 412.494 0.399 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)NCCCS(N)(=O)=O)cc2F)C[C@H](C)O1 1564993764 WFIRFMLHDMFIEZ-STQMWFEESA-N 402.492 0.917 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)cc2)CC1 1634074748 STEJBARWWIIPRO-GOSISDBHSA-N 424.505 0.758 10 10 HCCE COCCn1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)ccc1=O 1652067877 FNQLFBLKXMMDLP-UHFFFAOYSA-N 413.478 0.521 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864008308 HXSIJTSTIUJBFQ-INIZCTEOSA-N 401.467 0.902 10 10 HCCE CCOC(=O)c1cnc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(=O)[nH]n2c1N 252610226 HZKHSZNLENQIFM-UHFFFAOYSA-N 405.396 0.844 10 10 HCCE COC(=O)[C@@]1(O)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1153270597 WXMGEAHWEABYGW-GIWCCYDRSA-N 417.462 0.036 10 10 HCCE CO[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS(=O)(=O)C1 1465423642 WWVQYOMRUBUKRX-SFHVURJKSA-N 400.472 0.607 10 10 HCCE CN(C)CCN1C[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1=O 1570167951 AKHWCADJUOZYLO-OAHLLOKOSA-N 410.465 0.828 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1586648971 DWCBNECPJNCUBC-UHFFFAOYSA-N 407.496 0.734 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(CO)on3)CC2)cc1 1632291132 FNCZZRKRTKJOLF-UHFFFAOYSA-N 424.479 0.057 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C)[C@@H](CO)C3)cc2F)C[C@@H](C)O1 1644085424 AWKCQXBVIUGJPO-SOLBZPMBSA-N 408.518 0.664 10 10 HCCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNCCCN3CCOCC3)C2=O)c1 2296927171 WQFJUYAYCJAUFX-UHFFFAOYSA-N 418.450 0.482 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@]3(CCO)CCOC3)cc2)C1 762273635 XDVCZTHNSKWJJY-DYESRHJHSA-N 404.511 0.977 10 10 HCCE CC(=O)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 808529862 WVEJZXRRETWVKA-INIZCTEOSA-N 411.208 0.917 10 10 HCCE COC(=O)[C@H]1CN(C)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1233605425 WHAWZSPYTKNJBF-KRWDZBQOSA-N 404.511 0.894 10 10 HCCE CCN(OC)C(=O)CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1252270969 ZPKTWRSMJJANBD-UHFFFAOYSA-N 410.471 0.954 10 10 HCCE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1583144141 GCEQEEBDLOGWHX-LBPRGKRZSA-N 400.375 0.776 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)cc1 1686854839 GGFAAXOEEDSZCY-KRWDZBQOSA-N 403.527 0.937 10 10 HCCE CC(C)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1687006091 FARPJMRYYREAPX-UHFFFAOYSA-N 422.551 0.931 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1246301884 IKMHVCUCWSJDAP-HOTGVXAUSA-N 419.526 0.694 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C)CCCO3)CC2)cc1 1531663724 AUAIMJCLWVNLBH-IBGZPJMESA-N 411.524 0.832 10 10 HCCE CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1Cc1ccc(N2CCOCC2)cc1 1614041292 QCZDGRDRIJBFBB-GOSISDBHSA-N 414.510 0.677 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)N(C)C)cc1 1637399826 YJADEQODQPIYPU-KRWDZBQOSA-N 412.560 0.145 10 10 HCCE O=C(CN1CCO[C@H](Cn2ccnn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 1647816373 ISTSZBPLNUQPGP-KRWDZBQOSA-N 418.473 0.271 10 10 HCCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 778916937 STGCKGACXWESRO-RRFJBIMHSA-N 410.492 0.824 10 10 HCCE CC(=O)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 808495056 HDDSEPCFIXYKET-QGZVFWFLSA-N 413.448 0.852 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nnnn1C1CC1 1252850380 DZSPPSCGBFODMP-CYBMUJFWSA-N 419.511 0.803 10 10 HCCE COc1cc(N2CCN(C(=O)NC[C@@H]3COCCN3C)CC2)cc(OC)c1OC 1313155287 XAZZUDQUSNDUDA-MRXNPFEDSA-N 408.499 0.875 10 10 HCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1464362447 OUKGIYJULWFGCL-WBVHZDCISA-N 410.540 0.578 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1557414231 FFLZTORWFJPZSQ-ZRKWLUJRSA-N 417.462 0.347 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H](O)C[C@@]3(C)CO)CC2)cc1 1645960745 PFVZMDHELWGHCB-FLNVOPPSSA-N 403.479 0.244 10 10 HCCE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865027810 LOWUSNQYRWBQOV-KRWDZBQOSA-N 413.478 0.998 10 10 HCCE CN(C)c1ccc(CNC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1 15767661 PIQSEOPKHFVRSN-UHFFFAOYSA-N 407.496 0.286 10 10 HCCE CC(C)N1C[C@@H](C(=O)N2CCCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169846291 WNOJHGMVSQLTTO-AWEZNQCLSA-N 405.451 0.735 10 10 HCCE Cn1ccn2c(CNC(=O)NCc3cccc(Br)c3O)nnc2c1=O 1246102481 DAYFKQNDQKKFNI-UHFFFAOYSA-N 407.228 0.896 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3c(C)cnn3C)CC2)cc1 1585654436 XVQGONPLIJGUJR-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)C[C@H]3CN(C)CCO3)cc2)CC1 1668581868 RBLKISMSZLSTEB-LJQANCHMSA-N 410.540 0.105 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 787460883 WXQJTFKQEFMFEU-SREVYHEPSA-N 421.519 0.451 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCCOC[C@H]3C)CC2)cc1 803746496 HFKLDPQIYYKLHQ-QGZVFWFLSA-N 404.511 0.571 10 10 HCCE CN1CCN(c2ccc(CNC(=O)Cc3ccc(S(N)(=O)=O)cc3)cc2)CC1 1633252306 JUBDJSZPFFPSTE-UHFFFAOYSA-N 402.520 0.945 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCn4c(O)nnc4C3)cc2F)C[C@@H](C)O1 771811041 CEVOCWJZGIWQJI-OKILXGFUSA-N 418.473 0.868 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3ccncc3C)CC2)cc1 803746337 AWCNQGPPIYKBHL-UHFFFAOYSA-N 411.506 0.953 10 10 HCCE COC[C@@H](C(N)=O)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 815136728 CMEQTEVNSSTQEP-IYOUNJFTSA-N 410.490 0.488 10 10 HCCE O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)N1 1361063592 QJTMSFBROAZARZ-RISCZKNCSA-N 417.434 0.286 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCCCO3)CC2)cc1 1565034826 VLXMGODAKHUOBE-UHFFFAOYSA-N 412.512 0.884 10 10 HCCE NS(=O)(=O)N1CCC(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1642297645 NZGCLIJLFKPOGU-UHFFFAOYSA-N 418.466 0.333 10 10 HCCE CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1685327754 LXOQOZVJEWNNFH-IBGZPJMESA-N 417.510 0.435 10 10 HCCE O=C1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)CCN1 1750423893 QBBDECUUJUMNJX-LLVKDONJSA-N 407.525 0.804 10 10 HCCE [N-]=[N+]=NCCN(CC(=O)O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086865091 JDVFHIWEHDXFJE-LBPRGKRZSA-N 400.351 0.289 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CNC(=O)N3)cc2F)C[C@@H](C)O1 732360330 FSVISWDGQDWSMX-TYNCELHUSA-N 408.430 0.280 10 10 HCCE O=C(N[C@@H](CO)C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(F)n1 1542300440 ALESTBAFHGYPPW-KRWDZBQOSA-N 402.426 0.464 10 10 HCCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035193 NVIATYZJANKGJT-OAHLLOKOSA-N 400.435 0.774 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)[C@@H](C)NS(=O)(=O)CC)cc2F)CC1 1136687534 UJMVJHXZEQHDDT-CQSZACIVSA-N 400.520 0.912 10 10 HCCE O=C(CNC(=O)c1ncccc1O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1136985153 XDTXVIHBKZUCQT-UHFFFAOYSA-N 402.426 0.934 10 10 HCCE Cc1cn2nnc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2c(O)n1 1141995972 DYOXCZDFZGIVIA-CQSZACIVSA-N 409.450 0.770 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@@H](CCO)[C@@H](CO)C3)cc2)CC1 1251104832 QIYMYPFICOKMBG-QZTJIDSGSA-N 404.511 0.521 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1452035124 YMTAHCJRGQDEED-OAHLLOKOSA-N 410.540 0.814 10 10 HCCE COCCN1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CC1=O 1504909346 YKFNCUOGRNAOMK-UHFFFAOYSA-N 414.510 0.766 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCOC3)CC2)cc1 1616824340 QBGKRHSFRPOWRT-MRXNPFEDSA-N 411.524 0.690 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1638031020 WMRJCZLVZYBICE-GJYPPUQNSA-N 422.478 0.568 10 10 HCCE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(O)cc2O)c1 1639441479 VVUIWCFVCLPULZ-UHFFFAOYSA-N 407.448 0.394 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](Cn4ccnn4)C3)CC2)cc1 1643788810 HOFFKNUUUJVSQI-AZUAARDMSA-N 400.527 0.792 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCO)CC2)cc1 1870369195 OCTYUZBFNTYXBS-UHFFFAOYSA-N 403.479 0.543 10 10 HCCE CCOC(=O)C1(O)CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 754050485 KWDKHRZLBFCOOD-IBGZPJMESA-N 421.538 0.568 10 10 HCCE COC(=O)c1ccc(=O)n(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)n1 758227491 VLAPUEZMISRQDB-INIZCTEOSA-N 402.451 0.222 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCN(C)C(=O)C3)CC2)cc1 1142748586 FDRJAIWGQGRPNW-IWAYRVGRSA-N 414.506 0.885 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1643347329 WQQCGDAZUNPNSZ-LSDHHAIUSA-N 421.523 0.738 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O 1646434262 AIFPLJGACSRKSS-GOSISDBHSA-N 403.479 0.676 10 10 HCCE O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNCCCN1CCOCC1 2296079112 DCQLMQXOWJNVTO-UHFFFAOYSA-N 404.442 0.642 10 10 HCCE Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 772056363 CMKMVOQRMGXXLI-UHFFFAOYSA-N 421.385 0.777 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@H]3CCCS3)CC2)cc1 803748442 ALBWXARMYSEAOH-GOSISDBHSA-N 406.552 0.945 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1F 1252571045 CQHKVUICMRTMTI-ZDUSSCGKSA-N 400.476 0.700 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1 1441949485 WLSGBXVPUBDFTI-DOTOQJQBSA-N 400.483 0.681 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@@H]4COCC[C@@H]43)CC2)cc1 1456298222 JOTUQICOABUHHO-SLVIYJBESA-N 415.490 0.916 10 10 HCCE COCC(=O)N[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)C 1471912640 ROYMUDQKZMXNJZ-IBGZPJMESA-N 404.511 0.792 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026996 CMZOMOGWOUNZKZ-INIZCTEOSA-N 400.435 0.818 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCO)CC2)cc1 1870362204 NBGOBVQAPRGHBF-UHFFFAOYSA-N 417.506 0.933 10 10 HCCE CNC(=O)[C@@]1(C)CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 797439658 BKQBJHTXMKECPD-NRFANRHFSA-N 403.527 0.985 10 10 HCCE C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 804260334 GGNORRYGYOHSMG-LPHOPBHVSA-N 417.554 0.989 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@H]3CC(N)=O)cc2F)C[C@@H](C)O1 1195233489 JJGKEKANKQMVEB-BFYDXBDKSA-N 422.501 0.632 10 10 HCCE CCN1C(=O)CO[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[C@H]1c1nccn1C 1447565810 WEAGXMMZOLCVJB-UUWFMWQGSA-N 402.451 0.867 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H](c3cncn3C)N(C)C)CC2)cc1 1464537390 FJYCRTNDILXSBV-FQEVSTJZSA-N 400.527 0.970 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1569162407 MWIGTRSWGSOSAG-INIZCTEOSA-N 402.494 0.805 10 10 HCCE Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCSc1nccs1 1751935538 UZSUMWQNSVWUJN-GFCCVEGCSA-N 407.525 0.372 10 10 HCCE CCNC(=O)N1CC(n2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2)C1 823125775 YEXKKJAFIJAQIW-UHFFFAOYSA-N 413.482 0.835 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCSc1nccs1 1499201827 QTDHFTUFRODWQR-LBPRGKRZSA-N 421.552 0.626 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@@H]4CCC(=O)[C@H]43)CC2)cc1 1531318955 ZFZVBGSICVRXPU-NZSAHSFTSA-N 421.519 0.488 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN[C@@]3(C(N)=O)CCOC3)cc2F)C[C@@H](C)O1 1559947544 VZVQWFLYJAPRKC-MNVSYLFESA-N 408.474 0.290 10 10 HCCE O=C1CC[C@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC[C@H]2N1 1565044992 XQQKUBFIGQMRAQ-FUHWJXTLSA-N 420.535 0.732 10 10 HCCE Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1751885946 HZUUWVREYCVKPV-UHFFFAOYSA-N 408.528 0.457 10 10 HCCE O=C(CN1CCN2C(=O)OCC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 764437132 JNKPPEKMNDMONW-INIZCTEOSA-N 406.458 0.805 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnnc(O)c3)CC2)cc1 1146355852 SQWSDMBXKPEWDE-UHFFFAOYSA-N 421.479 0.073 10 10 HCCE CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479344899 XSSAPVUHUUEVLZ-SFHVURJKSA-N 418.494 0.862 10 10 HCCE NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1 1556946003 HZPLRIHQTOCEIU-UHFFFAOYSA-N 401.391 0.972 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1655013348 UNKQHGIWRSWNHU-FGTCXIJOSA-N 423.485 0.976 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)OC 1687443489 IQBKSISWVDTWNX-HDICACEKSA-N 418.494 0.542 10 10 HCCE CC[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868873646 LYLNXBFPPKWELG-QGZVFWFLSA-N 411.524 0.673 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCOC(C)(C)C3)CC2)cc1 803746733 HQOQXYYJQDYBRQ-UHFFFAOYSA-N 404.511 0.571 10 10 HCCE CC(=O)C(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 808493711 DDHAYCIYPRQSBR-UHFFFAOYSA-N 414.180 0.707 10 10 HCCE CCn1cc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(O)nc1=O 1254716893 VTACXTZXUHZVFC-UHFFFAOYSA-N 400.483 0.720 10 10 HCCE COc1ccc(N2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c(OC)c1 1479150496 WTQUVWBLPLMONS-FQEVSTJZSA-N 420.466 0.757 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC[C@H](S(N)(=O)=O)C3)cc2)CC1 1638485543 YRQCQNBTOYKDPT-KRWDZBQOSA-N 423.539 0.351 10 10 HCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1cccc(O)c1O 1153792972 WTOPLDGUJLVTSX-ZNMIVQPWSA-N 410.492 0.824 10 10 HCCE O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1307913833 HCZCHTXVNDGMIO-AEFFLSMTSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)cc1 1564962134 GKLRDEFUKIKFLK-QAPCUYQASA-N 411.524 0.977 10 10 HCCE COC(=O)[C@@H](NCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(C)C 1651029657 ZVZSHLRISDFVDN-HNNXBMFYSA-N 401.485 0.671 10 10 HCCE COCCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)c(OC)c1 742186400 JTRSCTSPTPVFRC-TWGQIWQCSA-N 403.435 0.794 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(O)(C(N)=O)CC3)cc2F)C[C@@H](C)O1 1307761687 KGYPVMNLJJROES-HUUCEWRRSA-N 422.501 0.368 10 10 HCCE COC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620568638 NKKZXUUTKSHTCO-SJLPKXTDSA-N 423.485 0.979 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCNC(=O)CC34CCC4)CC2)cc1 1644418182 WMTNKHTVHWSMBO-IBGZPJMESA-N 402.539 0.923 10 10 HCCE CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1676125457 IFTRCCRUWFKTHD-MRXNPFEDSA-N 402.499 0.601 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1638244033 PZRVDERNPAQJFE-ZDUSSCGKSA-N 422.507 0.779 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1643347328 WQQCGDAZUNPNSZ-HUUCEWRRSA-N 421.523 0.738 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3)cc2)CC1 1676125206 ARRVXOZOYPMIEF-QZTJIDSGSA-N 415.494 0.187 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)C2)cc1 1300634296 QRXFXQAXRWSEEN-CQSZACIVSA-N 423.473 0.958 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CS(=O)(=O)NC(C)(C)C)CC2)cc1 742916149 DEXPKYWNKCJQLE-UHFFFAOYSA-N 412.556 0.651 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 1130864726 DPVRZCWGMVAGLO-SGQUHAKNSA-N 423.535 0.998 10 10 HCCE C[S@@](=N)(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1473777278 YPPNCSZMOGLPHG-NDEPHWFRSA-N 413.519 0.488 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)N(C)C)cc1 1586060111 CSZHCTXCJSMVIJ-KRWDZBQOSA-N 420.539 0.616 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(=O)c(O)co3)CC2)cc1 1640006867 VHPKQYUAJYUKGG-SREVYHEPSA-N 413.430 0.875 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@@H](CO)[C@H]3CO)CC2)cc1 1652340580 WDQJRDDIHZIUMC-XGKTYTASSA-N 417.506 0.492 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NOCC3CC3)CC2)cc1 1686594982 WXZPLURGPJTOHC-UHFFFAOYSA-N 412.512 0.788 10 10 HCCE O=C(CN1CC(=O)NC1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 732272793 BOZARPHIBZDEBN-UHFFFAOYSA-N 400.357 0.710 10 10 HCCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746146253 BGFHTTQQFRUBOG-CQSZACIVSA-N 401.467 0.335 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCC3CCOCC3)CC2)cc1 788293824 HKIAEJQTWOOEML-UHFFFAOYSA-N 404.511 0.476 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cn(C)cn2)N(C)C)cc1 1603556341 YRZMYOWZSATXNZ-MRXNPFEDSA-N 408.528 0.184 10 10 HCCE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1640664774 FZBXLDUPYVSQRN-XQRVVYSFSA-N 403.482 0.228 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)N(C)C)cc1 1685686381 MCWPYBWNEBTJMF-MSOLQXFVSA-N 412.556 0.810 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864008882 ULZHHZHAQHTCMR-INIZCTEOSA-N 410.434 0.916 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](OC)C3CC3)CC2)cc1 1130865806 VWSKZLICYQRSJX-SFHVURJKSA-N 411.524 0.688 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC[C@]23COCCN2C(=O)OC3)N(C)C)cc1 1254440164 ZNMUOMPWLGFSNU-YLJYHZDGSA-N 405.499 0.876 10 10 HCCE COc1cc(N2CCN(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)CC2)cc(OC)c1OC 1478620023 BCNHPBVLGYAJAS-ZDUSSCGKSA-N 421.454 0.174 10 10 HCCE Cc1occc(=O)c1OCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1528187374 YMFMXOOZAZCTEK-UHFFFAOYSA-N 406.460 0.878 10 10 HCCE CO[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@](C)(CO)C1 1565044736 RKRDUHGFBUHQKG-HKUYNNGSSA-N 411.524 0.603 10 10 HCCE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1641228647 XBXNDEJVUGAZOO-CQSZACIVSA-N 422.507 0.957 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@]4(CCOC4)C3)CC2)cc1 769625359 QHQRPPOFZDPCNX-ICTHTSFCSA-N 415.490 0.918 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C3=C(C)OCCS3(=O)=O)CC2)cc1 1136454460 ZTUHHOLNRCXRMP-UHFFFAOYSA-N 409.508 0.610 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1456087777 TUZDYLJDZDIWGW-GFCCVEGCSA-N 402.494 0.993 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2)CC1 1625198164 CCNDMKGESVGITE-SFHVURJKSA-N 412.494 0.913 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)cc1 1627041571 YRQZEYMJTBWORY-VMSUTVGLSA-N 414.462 0.164 10 10 HCCE COc1cccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1O 1630366013 ILHWRYVQYASINT-OAHLLOKOSA-N 403.410 0.759 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](O)[C@H]3CCCO3)CC2)cc1 1640489855 YAMDEQOAQJFCBM-WARJXXDVSA-N 403.479 0.556 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cn(C)cn3)C2)cc1 1142797527 ARLGZJRRWPPROF-AWEZNQCLSA-N 407.496 0.350 10 10 HCCE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2Cc3cccc(O)c3C2)c1 1175029348 BQUJQRDOLNLOHH-UHFFFAOYSA-N 403.460 0.915 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 1528317280 FDGOZXSSWBGNIN-ZDUSSCGKSA-N 405.480 0.535 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CNC(C)=O)CC2)c(OC)c1 1530967380 BJCOBWHMFRVXNF-GOSISDBHSA-N 418.494 0.480 10 10 HCCE COc1ccc(N2CCN(CCCNC=C3C(=O)N(C)C(=O)N(C)C3=O)CC2)cc1 29003429 HRCQEMBQDPDCBH-UHFFFAOYSA-N 415.494 0.731 10 10 HCCE CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 735092295 CVNOWXKMFHGXRQ-CQSZACIVSA-N 400.476 0.495 10 10 HCCE CN1CCCc2cc(CNC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)ccc21 762272401 QNFXFSIOEFOUDI-UHFFFAOYSA-N 415.538 0.755 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)cc1 778410277 LNJJIEUOXVPZPK-IDTUSYRASA-N 401.467 0.169 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)c(OC)c1 1169973133 BWRFCZYEDZJJQC-YJBOKZPZSA-N 413.478 0.782 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 1251105923 XXOROCQFNKJGMS-CALCHBBNSA-N 420.535 0.574 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 1526246729 OZHFQKDAHJMLRO-AWEZNQCLSA-N 419.507 0.782 10 10 HCCE C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652068369 MUDPHTMUIXCATF-ACJLOTCBSA-N 402.495 0.280 10 10 HCCE O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(N2CCC(O)CC2)cc1 1674712967 SCLPOQMKNVCJTA-UHFFFAOYSA-N 410.540 0.873 10 10 HCCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1ccc(O)c(O)c1 1865026494 OJLRYAUBKOXRPU-INIZCTEOSA-N 400.435 0.910 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCN(Cc4n[nH]c(C)n4)CC3)CC2)cc1 735872500 GWCOGKOUGDOWDE-UHFFFAOYSA-N 413.526 0.588 10 10 HCCE COc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(C)=O)C[C@@H]3C)CC2)cc1 804318025 WISKGXVICCXCMQ-HNNXBMFYSA-N 402.495 0.859 10 10 HCCE O=C(NCCO)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1233603877 JVWPEAXVHCEJSD-UHFFFAOYSA-N 404.511 0.678 10 10 HCCE CCOC(=O)COCCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1624378492 MMZJUSURAYAODV-CMDGGOBGSA-N 419.478 0.596 10 10 HCCE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)CC1 1629830327 VALPNCSLDDLRRG-UHFFFAOYSA-N 423.499 0.099 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 1868819325 GDDXOTQSRGZAAU-INIZCTEOSA-N 423.535 0.675 10 10 HCCE COCC[C@@]1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOC1 1252844839 RNEQUZCZXFVGCS-LJQANCHMSA-N 411.524 0.916 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H](C)n2nnnc2N1C 1471912170 KKBULXHBFYKJAV-CQSZACIVSA-N 424.509 0.976 10 10 HCCE COc1ccc(N2CCN(C(=O)C(=O)NCc3n[nH]c(=O)c4ccccc34)CC2)cc1 9648446 GDWJIWJWDSHNFE-UHFFFAOYSA-N 421.457 0.897 10 10 HCCE Cc1cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 774181172 TVNNAELFWVWVBB-INIZCTEOSA-N 413.478 0.960 10 10 HCCE CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1cc(Br)ccc1O 796190641 BUICEKQLMYGXIQ-UHFFFAOYSA-N 415.331 0.856 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3c(O)cccc3O)c2)CCN1 1178905642 PZFKWHHEKAGRPF-UHFFFAOYSA-N 405.432 0.148 10 10 HCCE CNC(=O)NC1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1195153263 AVBXLFXCYQSRFS-IBGZPJMESA-N 405.543 0.572 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1299698707 CVPGFWOREUVJSD-UHFFFAOYSA-N 412.402 0.945 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(C(=O)N(C)C)CC3)CC2)cc1 779214631 CSCHEKIWXMBKRY-FQEVSTJZSA-N 404.555 0.978 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 789845267 VESMVVBRXZBPET-CQSZACIVSA-N 420.485 0.482 10 10 HCCE CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1251207907 CIEMUEKRZDGZPF-CQSZACIVSA-N 414.528 0.863 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCS(=O)(=O)C[C@H]2CCO)N(C)C)cc1 1479534247 MLJDKGYEOXEPIU-QZTJIDSGSA-N 412.556 0.546 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3COCCN3CC(F)F)cc2)C1 1625271937 UXSLNMIXWIZINH-NVXWUHKLSA-N 410.465 0.970 10 10 HCCE CNC(=O)NC1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1195153265 AVBXLFXCYQSRFS-LJQANCHMSA-N 405.543 0.572 10 10 HCCE COCc1nnc2n1CCN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 1473617929 MLNKLINQFIQMLS-UHFFFAOYSA-N 418.473 0.532 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1ccccc1N 1557115849 XJOSFDHLYXINLG-UHFFFAOYSA-N 421.475 0.845 10 10 HCCE COCCN1C(=O)/C(=C\NNc2ccc(Br)cn2)C(=O)NC1=S 727490683 UIZURUJJCGXGJF-CLFYSBASSA-N 400.258 0.534 10 10 HCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)C[C@@H]12 1471189783 BABVQDQAHUYYRE-OTWHNJEPSA-N 422.551 0.392 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 1478860977 TZCOCXAZWALQPW-MAUKXSAKSA-N 405.499 0.861 10 10 HCCE COCCN1C(=O)/C(=C\N2CCN(c3ccc(OC)cc3)CC2)C(=O)NC1=S 6831196 HJRVFNGBHGBWQA-SSZFMOIBSA-N 404.492 0.591 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCN(Cc4n[nH]c(C)n4)CC3)nc12 735872565 KWAILUWEVBLKAH-UHFFFAOYSA-N 400.443 0.356 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(C(=O)N(C)C)CC3)CC2)cc1 779214632 CSCHEKIWXMBKRY-HXUWFJFHSA-N 404.555 0.978 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(N2CCOCC2)CCC1 782580419 ZIDMOOBLBNPCGR-UHFFFAOYSA-N 407.536 0.793 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 788313076 PIAIDERMVCSSTJ-KRWDZBQOSA-N 401.385 0.665 10 10 HCCE CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 789089166 VOYYWIBSNHTROS-UHFFFAOYSA-N 407.448 0.604 10 10 HCCE CCN(CC)CCS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 810046147 LLGHHZFAQSRTCT-UHFFFAOYSA-N 403.570 0.683 10 10 HCCE CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1312489326 CKOORAKGKNZGBY-UHFFFAOYSA-N 412.560 0.070 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)C2)cc1 1638653208 MXGHOMRRCHEBFG-CYBMUJFWSA-N 420.491 0.507 10 10 HCCE NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O 1646112410 FZIRGKAKSRTFNH-UHFFFAOYSA-N 420.425 0.030 10 10 HCCE COc1ccc(N2CCN(CC(=O)N3CCC[C@@H](NC(C)=O)C3)CC2)c(OC)c1 1659857170 HGBGLPGWUCOHFC-QGZVFWFLSA-N 404.511 0.953 10 10 HCCE CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1666565231 OGZMDYUVFJAABE-UHFFFAOYSA-N 408.524 0.732 10 10 HCCE COc1ccc(N2CCCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)cc1 1687345602 ZIYBBADEUAYDFQ-OAQYLSRUSA-N 418.494 0.545 10 10 HCCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862181169 GNCRLMSBMFIECC-INIZCTEOSA-N 402.495 0.717 10 10 HCCE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H](C(=O)OC)N(c2ccc(OC)cc2)[C@H]1C(=O)OC 96576548 STWLDDHSRULJQM-PYHGIMPFSA-N 409.391 0.177 10 10 HCCE CCN(CCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1255508936 JNLWSINUQRTIPY-UHFFFAOYSA-N 410.540 0.964 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 1478860979 TZCOCXAZWALQPW-YJBOKZPZSA-N 405.499 0.861 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)CCCS(C)(=O)=O)cc2)CC1 786120851 VFUPAQSHHOXQCU-UHFFFAOYSA-N 417.553 0.209 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCCSCC3)CC2)cc1 803746666 GIJPWZYXKUPLII-UHFFFAOYSA-N 406.552 0.899 10 10 HCCE O=C(NCc1cc(O)ccc1O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1153885865 QJPSTSVXMBCURH-AWEZNQCLSA-N 400.840 0.707 10 10 HCCE O=C(CN1CCC(N2CC[C@H](O)C2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1174741984 IQISOQOVYCDOOH-IBGZPJMESA-N 420.529 0.810 10 10 HCCE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCS(=O)(=O)NC 1498658247 HTXJRBSDPKQTHI-UHFFFAOYSA-N 422.555 0.863 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@](=O)C1 1565044161 JHMHJNNEZDTDRD-WZQKQDCOSA-N 413.565 0.831 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1cnnn1C 1611664819 LMPBAGIBLYLAQN-LBPRGKRZSA-N 420.499 0.407 10 10 HCCE CN(CCNS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1251103572 FXENNQGTFDIYGN-UHFFFAOYSA-N 411.528 0.079 10 10 HCCE NC(=O)c1ccc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1437551139 TYTOCCTWZJYRGX-UHFFFAOYSA-N 402.476 0.274 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCCn3ccc(O)nc3=O)cc2)CC1 1684973299 OEMYIZBIVQUJEL-UHFFFAOYSA-N 400.483 0.590 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028676 XSLJVAAXQJVJBE-MLGOLLRUSA-N 400.435 0.818 10 10 HCCE CN(C)CCn1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 768720487 KLIZVFUHDHJHPZ-UHFFFAOYSA-N 400.483 0.536 10 10 HCCE COCCn1c(N)c(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)c(O)nc1=O 799506968 GWPJAAWZAWOQFS-UHFFFAOYSA-N 417.466 0.191 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2)C1 1534541097 UFNNSLMBVGZKQL-IAGOWNOFSA-N 412.494 0.946 10 10 HCCE COC(=O)[C@@H]1CC[C@@H]1NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1597088342 LTVKVOCHJUTSBW-XRZRDHLVSA-N 401.463 0.968 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(-n4cnnn4)cn3)cc2)CC1 1626095104 QLLUUVQQDYCPMH-UHFFFAOYSA-N 406.450 0.689 10 10 HCCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 746146246 BGFHTTQQFRUBOG-AWEZNQCLSA-N 401.467 0.335 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCO[C@@H](C(C)C)C3)CC2)cc1 803746447 GFJGPSVUTUGLQA-HXUWFJFHSA-N 418.538 0.817 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(O)nc(O)n3)CC2)cc1 1163288004 GCTQMAFBVMYBRU-SREVYHEPSA-N 413.434 0.418 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(N[C@H]4CCOC4)C3)CC2)cc1 1635940439 BLELRPNVLJWSTH-LXXRFIIISA-N 414.506 0.489 10 10 HCCE O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1c(F)ccc(O)c1O 1641297625 LAVFEPUAUSEZIH-UHFFFAOYSA-N 402.444 0.940 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@]4(C)C(=O)NC(=O)[C@@]4(C)C3)CC2)cc1 1659736169 DYCFETDWQCACET-MTNREXPMSA-N 416.522 0.163 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(OC)CCC3)CC2)cc1 1130865216 KFHSETGTRSIRTC-UHFFFAOYSA-N 411.524 0.832 10 10 HCCE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C[C@H](O)C[C@H]1C(N)=O 1196114695 ZCNUZEHAZCBRIA-SRBZOADZSA-N 407.426 0.710 10 10 HCCE CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)C1 1314925933 DWMXOUQUNNBAMW-OAQYLSRUSA-N 414.510 0.809 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3nc(O)nc(O)c3OC)CC2)cc1 1598028201 HIUUNFUOFJVXBK-UHFFFAOYSA-N 403.439 0.457 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H](CO)[C@@H]3CCCOC3)cc2)CC1 1638479364 PEBDJIVWVHNNQA-MJGOQNOKSA-N 404.511 0.975 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCCN3CCOC3=O)CC2)cc1 728396826 BBZPBFMFRRQBRR-UHFFFAOYSA-N 405.499 0.959 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)CC2)cc1 803746820 LSTYDXPAPXFDRT-ROUUACIJSA-N 416.522 0.448 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)N(C)C)cc1 1134881725 FROWESOKQNBVON-GOSISDBHSA-N 417.535 0.969 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ncccc3O)cc2)C1 1136340031 BMFRKLKGUGHSQL-HNNXBMFYSA-N 411.462 0.535 10 10 HCCE COc1ccc(N2CCCN(C(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)CC2)cc1 1479428826 PLCHJGIDYQCDQO-UHFFFAOYSA-N 422.511 0.780 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 1531315498 BMJXKVZHIIWFRM-AZUAARDMSA-N 423.535 0.690 10 10 HCCE O=C(CNC(CO)(CO)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 1654291398 RXVBOSCGMQCVDM-UHFFFAOYSA-N 409.380 0.154 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CN(C2CC2)C(=O)O1 1686893384 OVTSJUVYTREDLQ-QGZVFWFLSA-N 422.507 0.704 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)CCCO)CC2)cc1 1686982931 CRQAMLLNHGVPIG-UHFFFAOYSA-N 414.528 0.171 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 1136455156 WMOPBWBRQCDTPR-GOSISDBHSA-N 422.526 0.819 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCC(C(=O)NCCO)CC2)N(C)C)cc1 1256237327 XGPACUQERSYZIC-IBGZPJMESA-N 405.543 0.885 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@@H]4C3)cc2)CC1 1565363457 PMQHEHRHBFTLGJ-IBGZPJMESA-N 401.511 0.614 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)[C@@H]3CCCOC3)CC2)cc1 1626480408 SAPLFKFOKYPTJK-WSMAHZFNSA-N 417.506 0.804 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)nn2)O1 1630351355 MPYRTMFVRSVKDL-HNNXBMFYSA-N 402.480 0.870 10 10 HCCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 775975451 OZBFODYQQQOJFQ-CHWSQXEVSA-N 400.453 0.946 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCc2nnnn2CC1 1470562271 IOQLKZFIWBGGFH-HNNXBMFYSA-N 419.511 0.112 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 1565453342 XSEOQIXQCRBQJP-ROUUACIJSA-N 406.531 0.695 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCn4nncc4C3)CC2)cc1 1596350371 YRPATMMQKNVWES-FPLPWBNLSA-N 410.478 0.924 10 10 HCCE CCN1C[C@@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1636110477 PGBUQWHEKOURQN-QWGSZXSUSA-N 400.479 0.637 10 10 HCCE COCCOCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 1639560403 MTYCKUCKTFYNKA-UHFFFAOYSA-N 401.485 0.185 10 10 HCCE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@@H](C)O1 1648445174 KPKXQBSIYULBIJ-TXEJJXNPSA-N 417.459 0.349 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NCc2ccc(O)c(O)c2O)C1 2192665055 RHVNTCQOOMXTJJ-YPMHNXCESA-N 402.469 0.926 10 10 HCCE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 728072240 AUGUZXZHDGGDDG-OAHLLOKOSA-N 412.512 0.436 10 10 HCCE CN1CCn2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2S1(=O)=O 1633793393 GLDQOPPWAKCXMD-UHFFFAOYSA-N 419.507 0.408 10 10 HCCE COC(=O)[C@@H]1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778248819 ZBQCOTYQVWHSLS-XITLMJRVSA-N 401.463 0.922 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@]12COCCN1C(=O)COC2 1479132750 TZBCHEGNQDSORC-OAQYLSRUSA-N 418.494 0.292 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1503487061 DYZQQECTBLXOEJ-HUUCEWRRSA-N 419.507 0.801 10 10 HCCE CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1637229234 WBJVMZORHNEVTM-GOSISDBHSA-N 410.540 0.871 10 10 HCCE COCCN1C(=O)C(=CN2CCN(c3ccc(OC)cc3)CC2)C(=O)NC1=S 2040480080 HJRVFNGBHGBWQA-UHFFFAOYSA-N 404.492 0.591 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCOC[C@H]3C[C@H](C)O)CC2)cc1 768293093 FPFHTJXABDSHHJ-PKOBYXMFSA-N 406.527 0.999 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 786122739 XXPXWEDBDZCQOJ-IYBDPMFKSA-N 410.540 0.799 10 10 HCCE CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638488254 BFVLOFXHALZPSF-INIZCTEOSA-N 407.540 0.795 10 10 HCCE C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652068373 MUDPHTMUIXCATF-FZKQIMNGSA-N 402.495 0.280 10 10 HCCE O=C1CC[C@@H](N2C(=O)c3cccc(OCC(=O)c4ccc(O)c(O)c4)c3C2=O)C(=O)N1 1865751485 UVMIQUSVBOWBQL-GFCCVEGCSA-N 424.365 0.761 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cc(O)nc(N(C)C)n3)CC2)cc1 765257849 LTYYLTDEGPGZCF-UHFFFAOYSA-N 400.483 0.809 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN2C(=O)OCC[C@@H]2C1 1252845218 VDLQXMCHRSCXDR-QGZVFWFLSA-N 422.507 0.658 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 1469804192 DFMFWILUPRYOHH-SFHVURJKSA-N 418.538 0.771 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 1469807192 WBYHVEVBDXRCSP-UHFFFAOYSA-N 414.466 0.898 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](CO)C(F)(F)F)CC2)cc1 1636756471 MFXGCGDTMJUAFH-XHPSBEMXSA-N 401.385 0.939 10 10 HCCE Cc1ccc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(O)c1O 1638987708 WBLZSIMOHRWLNT-UHFFFAOYSA-N 411.402 0.997 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3nnnn3C)cc2F)C[C@@H](C)O1 1660503250 FCEFLISVALWFET-HZSPNIEDSA-N 405.478 0.930 10 10 HCCE CS(=O)(=O)N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1686724200 NIEFUNIYTNAKIQ-UHFFFAOYSA-N 418.466 0.588 10 10 HCCE COc1ccc(N2CCN(C(=O)Cn3ccc4c(=O)n(C)c(=O)n(C)c43)CC2)cc1 65030945 MGLYVQFSUZYAQT-UHFFFAOYSA-N 411.462 0.396 10 10 HCCE COc1ccc(N2CCN(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)cc1F 1470965017 KYWQTKJPZODUBQ-UHFFFAOYSA-N 415.491 0.157 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CN(C)CCN1C 1676125809 LARPFLFKOJKGGY-OXJNMPFZSA-N 416.570 0.822 10 10 HCCE CC(=O)NC[C@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1 1706047977 IHKJXNVYEODSBO-FQEVSTJZSA-N 414.510 0.813 10 10 HCCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011790 YJEUJZHQYZETPN-MEBBXXQBSA-N 402.451 0.975 10 10 HCCE O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1291809932 OSPYRNXSGXTMEP-UHFFFAOYSA-N 417.443 0.746 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CCn2cc(S(N)(=O)=O)cn2)N(C)C)cc1 1603555854 TYEVFEYWTQZDPY-KRWDZBQOSA-N 408.528 0.406 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)cc2)CC1 1684875034 XQEPFOKSPDNYBP-SFHVURJKSA-N 423.583 0.909 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)cc1 1150069820 LRDPGKGJESHMLD-UHFFFAOYSA-N 405.480 0.488 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@]3(O)CCCOC3)CC2)cc1 1164440947 RPBLSWHJOGXHPP-VQKOGROQSA-N 417.506 0.948 10 10 HCCE CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(N2CCOCC2)cc1 1533735028 XRUGDTRLYUBGQG-UHFFFAOYSA-N 402.476 0.984 10 10 HCCE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1644526613 QJLGKOVPNHKUDE-SFHVURJKSA-N 403.527 0.461 10 10 HCCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865727977 ZLYRFSHJKSLYHY-RNCFNFMXSA-N 416.434 0.105 10 10 HCCE O=C1CN(CCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCN1 781401312 RANLGSNJTJYSKT-UHFFFAOYSA-N 414.554 0.450 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 786728822 XVXIXUVUQVWNDN-UHFFFAOYSA-N 410.540 0.551 10 10 HCCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cc(Br)ccc1O 804740526 ISZRJKPYDKQFCF-VIFPVBQESA-N 417.285 0.871 10 10 HCCE C[C@@H]1CN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 917930371 RDBRESVRAJBBEJ-BFYDXBDKSA-N 410.540 0.832 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4[C@H]3CCCN4CCO)CC2)cc1 1176807770 ALAQBISCXQPMPT-WWNPGLIZSA-N 418.582 0.709 10 10 HCCE CCNC(=O)C(C)(C)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1629412901 SCPMWZMVZLQQCQ-KHPPLWFESA-N 402.495 0.931 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@@H]3CC(=O)N(C)C3)CC2)cc1 1634989694 MEJWRTVHYGYFGS-ZPUOCTKUSA-N 414.506 0.885 10 10 HCCE CCOC(=O)C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 795367513 OLDXJACKFKEHGE-UHFFFAOYSA-N 424.519 0.898 10 10 HCCE CNC(=O)NC[C@H]1CCCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1175361901 LRAHYQGWMIMILV-UXHICEINSA-N 419.570 0.962 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)C2)cc1 1300634295 QRXFXQAXRWSEEN-AWEZNQCLSA-N 423.473 0.958 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)nn2)O1 1446566517 LLYDGWWFTXLDRK-HUUCEWRRSA-N 401.423 0.914 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CNC(C)(C)C)CC2)cc1 1557398986 KBURCKUUAMBJOR-UHFFFAOYSA-N 412.556 0.651 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC(S(N)(=O)=O)CC3)cc2)CC1 1685244304 NXGAUSHWUFHQFR-UHFFFAOYSA-N 423.539 0.351 10 10 HCCE CN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@@H]2C1=O 1685331239 PJTHYNORHGEUTQ-CALCHBBNSA-N 413.478 0.145 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)N(C)C)cc1 1685608598 DVTDPVCEETXKAE-QUCCMNQESA-N 424.567 0.954 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155820 XYUDZZFTJIVSNM-HUUCEWRRSA-N 420.510 0.903 10 10 HCCE CN(C)c1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 8603213 NXNMTXJEOZWOKZ-UHFFFAOYSA-N 414.491 0.984 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 56997578 DMNZUJFAOHKCMF-UHFFFAOYSA-N 424.567 0.605 10 10 HCCE Cn1cc([C@H](CO)NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1685327385 CAPRGLCNKMHREW-SFHVURJKSA-N 400.483 0.655 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)cc1 1176807767 ALAQBISCXQPMPT-ACIOBRDBSA-N 418.582 0.709 10 10 HCCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c1 1558506221 FHPZUJFGLLPNBY-GOSISDBHSA-N 402.476 0.881 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ncc[nH]3)CC2)cc1 1640017108 SGVJVUZJPMKKFT-UHFFFAOYSA-N 407.496 0.229 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3COCCC3(OC)OC)CC2)cc1 1655483365 TYTMFICVDFVCGN-ICSRJNTNSA-N 409.527 0.546 10 10 HCCE CC(C)NS(=O)(=O)NCCNC(=O)NCc1cc(Br)ccc1O 805382108 NIWUDWWQUVIYNV-UHFFFAOYSA-N 409.306 0.786 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@@H](CO)[C@@H](CCO)C3)cc2)CC1 1251104834 QIYMYPFICOKMBG-ROUUACIJSA-N 404.511 0.521 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC[C@@]23COCCN2C(=O)OC3)N(C)C)cc1 1254440162 ZNMUOMPWLGFSNU-PXNSSMCTSA-N 405.499 0.876 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCCN(CCCO)C1 1478944767 IDXYPWSSDMRCBI-GOSISDBHSA-N 424.567 0.567 10 10 HCCE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1587034663 CKCJXRRCUPNSJO-UHFFFAOYSA-N 407.452 0.651 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C)C[C@H]3CO)CC2)cc1 1634203588 YPKOQFHKGBBXQC-DVBCCOPCSA-N 402.495 0.035 10 10 HCCE CCN1C[C@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1636110476 PGBUQWHEKOURQN-HLRDLLSLSA-N 400.479 0.637 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(S(N)(=O)=O)C3)cc2F)C[C@@H](C)O1 1643384816 HFAXXJYVOUNKBG-CHWSQXEVSA-N 414.503 0.028 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cc1 735876022 MHJOZSDRSHGFMU-UHFFFAOYSA-N 417.510 0.654 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CCN3C(=O)CCNC3=S)cc2)CC1 1138228729 JGFDIMNLURTUGU-UHFFFAOYSA-N 417.535 0.468 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCc4nnc(O)n4C3)CC2)cc1 1442467313 FQHNQMZWIPSZAU-HNNXBMFYSA-N 400.483 0.493 10 10 HCCE C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)N1CCO 1473479337 QWAWLOBAVVGFIF-CALCHBBNSA-N 408.518 0.665 10 10 HCCE CN(CCS(N)(=O)=O)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1473767309 AYKAZDYHDUWIAT-UHFFFAOYSA-N 401.444 0.621 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)N(C)C)cc1 1537482779 IOWQKNCHXLDGCZ-SFHVURJKSA-N 424.505 0.731 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN(C)CC(C)(C)S(C)(=O)=O)CC2)cc1 754082775 RPSKYGLKEJTBCH-SFHVURJKSA-N 413.584 0.933 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccc(F)cc2O1 1537862965 WVZKSYVVHHOIAD-HNNXBMFYSA-N 421.406 0.590 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)cc1 1565056674 YLPAQBODUDLDMD-KRWDZBQOSA-N 401.511 0.880 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 1675580185 JRAHYBYDGBPNLI-HXUWFJFHSA-N 405.543 0.273 10 10 HCCE CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 1687155522 QBLLRCXFAOMLPR-KRWDZBQOSA-N 410.540 0.823 10 10 HCCE CO[C@H]1C=C[C@@](CNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)(OC)O1 70883396 WPGCXXGJJJZUAF-UYAOXDASSA-N 414.466 0.897 10 10 HCCE COC(=O)/C=C/c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 105775078 TXMMVGVUJIOILW-HWKANZROSA-N 418.450 0.762 10 10 HCCE CS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1251103588 GEJVWOPUAFAZQV-MRXNPFEDSA-N 422.551 0.964 10 10 HCCE NS(=O)(=O)c1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)n2ccccc12 1464448624 FDOGXOAYJXERRJ-UHFFFAOYSA-N 415.475 0.748 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1=O 1465931602 JIFNOASMVBRMFF-HNNXBMFYSA-N 407.442 0.895 10 10 HCCE COc1ccc(CCN2C(=O)NC(=O)C(=CNC[C@H]3CCCO3)C2=O)cc1OC 2296940849 YEDWGNBVTLBRSG-CQSZACIVSA-N 403.435 0.977 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)cc2)C1 1441946584 MHSPBDDEZNBVCZ-NZSAHSFTSA-N 424.505 0.434 10 10 HCCE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CS(=O)(=O)C1 1464412293 SPEHTGSYKDCXQO-UHFFFAOYSA-N 419.482 0.603 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cn(C)c(O)n3)CC2)cc1 1531663727 AVOXIUXGIDKKFE-UHFFFAOYSA-N 423.495 0.016 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCS(=O)(=O)C[C@H]3CCO)C2)cc1 1312901308 DIKWEIGFJVMQDZ-DOTOQJQBSA-N 411.524 0.713 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCS1(=O)=O 1230797953 CYNCTPXWUNIOCM-AWEZNQCLSA-N 415.537 0.250 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CC(=O)N(CC2CC2)C1 1252850368 DUZKWHNIIAWRIT-QGZVFWFLSA-N 420.535 0.732 10 10 HCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1296245988 ISIJZOFTWBXDFZ-GLKRBJQHSA-N 414.505 0.934 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccnc(C)n3)CC2)cc1 1531316147 GZJGUZOUYCKKBX-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CCOCC3)CC2)cc1 1616824547 QDHMJWOQDMMHSC-UHFFFAOYSA-N 411.524 0.690 10 10 HCCE [N-]=[N+]=NCCOCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1857791735 SKTGGMFEGRISBY-LLVKDONJSA-N 400.351 0.353 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864009250 CUFOXFGSJCMGJL-INIZCTEOSA-N 401.467 0.995 10 10 HCCE O=C1CN(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N1 731912851 ZFLYETBPCPIRMO-UHFFFAOYSA-N 421.365 0.496 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C2)cc1 1234084598 WFWSIDLWUOKTPN-HNNXBMFYSA-N 413.544 0.653 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1 1300281368 QOPLLSVXXXUJCO-KRWDZBQOSA-N 404.442 0.915 10 10 HCCE NCCNCCOc1cccc2c1C(=O)c1cccc(OCCNCCN)c1C2=O 90609925 UNZJTULBNZOZNU-UHFFFAOYSA-N 412.490 0.316 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)[C@H](O)Cc3cnn(C)c3)CC2)cc1 786858325 WYHMEVZAFUPTBE-GOSISDBHSA-N 402.451 0.224 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CC(=O)N(CC2CC2)C1 1252850366 DUZKWHNIIAWRIT-KRWDZBQOSA-N 420.535 0.732 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)CC2)cc1 1303831797 ZUIVDHUXQIALKH-JMYAVDLZSA-N 417.506 0.681 10 10 HCCE COc1ccc(N2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)cc1 1594799884 NSBOUICLJJLPGI-UHFFFAOYSA-N 415.475 0.953 10 10 HCCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248227896 JWWHULJRGLHMCL-YYQBIWNASA-N 420.418 0.745 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2)cc1 1146355789 QCYAXRWMQBKMOC-VQIMIIECSA-N 424.567 0.603 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C3(CS(C)(=O)=O)COC3)cc2F)CC1 1585403853 MVVKCUGZSCDDKJ-UHFFFAOYSA-N 413.515 0.645 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCNC(=O)CC3)CC2)cc1 1643150099 DYJMOJRALDBMAU-QWGSZXSUSA-N 400.479 0.685 10 10 HCCE CN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 1687006361 LDRUOLSNODDALF-MOPGFXCFSA-N 422.551 0.536 10 10 HCCE CSCc1n[nH]c(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1687007005 TXVCETXDDHXUOQ-UHFFFAOYSA-N 424.552 0.902 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 732922886 DBGYCEJQVCQGAO-IAGOWNOFSA-N 412.556 0.761 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@H](CO)C3)CC2)cc1 774176214 BQRTUERFFYCSMT-KRWDZBQOSA-N 404.511 0.164 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCSC[C@H]1CCO 789800131 LQOWFSIKBOUJIA-OAHLLOKOSA-N 411.499 0.605 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CCCN(C)C)CC2)cc1 803746429 FYSGAZBBDNFTHB-UHFFFAOYSA-N 405.543 0.344 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](O)C[C@]3(C)CO)cc2F)C[C@@H](C)O1 1655124517 MZFYFLVWLWMGHN-BONWFUQQSA-N 409.502 0.873 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(O)(CN(C)C)CC3)CC2)cc1 1473682726 HKRZEMVJXKFSFT-FQEVSTJZSA-N 406.571 0.567 10 10 HCCE Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nnn1-c1cnn(C)c1 1125258194 VPPQEQALMKAQPX-INIZCTEOSA-N 422.493 0.941 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C(=O)OC 1253512837 ZLXYIZDEMQJPDN-HDICACEKSA-N 419.478 0.751 10 10 HCCE O=C(NC[C@@]12COCCN1C(=O)COC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 1254316431 TYJRPVZFGNCKSE-UWJYYQICSA-N 419.478 0.711 10 10 HCCE CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1538131951 SVZDOUCNDQKNJG-OAQYLSRUSA-N 415.494 0.725 10 10 HCCE Cn1c(C(F)(F)F)nn(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1=O 585378115 VYGNBDWPPSGWHT-UHFFFAOYSA-N 423.442 0.624 10 10 HCCE Cn1nc2c(c1C(=O)NCc1ccc(N3CCC(O)CC3)cc1)CS(=O)(=O)CC2 1557638572 ASQDALQSYWHHQR-UHFFFAOYSA-N 418.519 0.782 10 10 HCCE C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@]1=O 1565043634 AFCZIVVKTFQISA-CFAZGSRYSA-N 413.565 0.972 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)N(C)C)cc1 1586060052 AWPNKHAREZBDQB-WBVHZDCISA-N 401.471 0.485 10 10 HCCE Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(N2CCOCC2)cc1 1742748183 HRIODGLLJBWXHU-UHFFFAOYSA-N 414.510 0.766 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)c3cc4c(=O)n(C)nc(C)n4c3)CC2)cc1 65246993 ANHWALBZTPCHPB-UHFFFAOYSA-N 417.491 0.861 10 10 HCCE CCN1CCN(CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CC1 760086213 SHMIJAHQVBBHKT-UHFFFAOYSA-N 406.527 0.999 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN1C(=O)C1CC1 1130782442 SYCDKNDXHFLMEL-SFHVURJKSA-N 405.520 0.939 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@@]1(OCCO)CCOC1 1478786946 ZXDYOLKHVWJSNT-IBGZPJMESA-N 415.437 0.769 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@](=O)C1 1565044158 JHMHJNNEZDTDRD-HAWMADMCSA-N 413.565 0.831 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3cnn[nH]3)CC2)cc1 1628747536 LQUKBLSVFCHSTG-UHFFFAOYSA-N 422.511 0.014 10 10 HCCE COc1cc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c([N+](=O)[O-])cc1OC 1639309440 SWDLXVKONUNFDG-UHFFFAOYSA-N 406.395 0.410 10 10 HCCE CN1C(=O)C(=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)c2ccccc21 2314541143 GACOMXQJPNJRKC-SNVBAGLBSA-N 405.457 0.953 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)CCN(C)CCO)CC2)cc1 1634111039 KMNJIXPXZLWWRD-HJWRWDBZSA-N 404.511 0.283 10 10 HCCE NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)c1 1636231076 PNUPSXKKYSBAAK-CYBMUJFWSA-N 401.444 0.935 10 10 HCCE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155754 VQGGEYVWTPLOHG-KRWDZBQOSA-N 410.540 0.871 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCc3nnc4n3CCC4)CC2)cc1 754914996 VDZWLHGPEXMUQY-UHFFFAOYSA-N 413.526 0.897 10 10 HCCE COC[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)O1 1230799867 XXSGLZHJQDBWKZ-CRAIPNDOSA-N 411.524 0.867 10 10 HCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1584506971 JVVBAQGVFDCONM-QGZVFWFLSA-N 408.524 0.429 10 10 HCCE CCOC(=O)C1(O)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 749801625 IJUIPUFGFDQTDJ-UHFFFAOYSA-N 423.485 0.669 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)nc12 919804367 MBVYVYHRJLBTEX-AWEZNQCLSA-N 417.466 0.682 10 10 HCCE CCO[C@@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CN(C)C 1674276363 CHDWLWGRKDUXLN-SFHVURJKSA-N 412.556 0.687 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026997 CMZOMOGWOUNZKZ-MRXNPFEDSA-N 400.435 0.818 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)C[C@@H]3CCC[C@@H]3O)CC2)cc1 803749229 FVNJWOSHFLDENW-PXNSSMCTSA-N 418.538 0.553 10 10 HCCE CC(=O)N1CCN(C(=O)CCNCc2ccc(N3CCN(C)CC3)c(F)c2)CC1 1177688532 ZQBHPHVAOCSKER-UHFFFAOYSA-N 405.518 0.748 10 10 HCCE CCO[C@@H](CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)CN(C)C 1455564244 ZDIAEIDDKGLGMH-PISNEZEASA-N 418.538 0.983 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1478944444 BVQCCDJJNRESEG-NJAFHUGGSA-N 409.508 0.525 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@]34CCOC4)CC2)cc1 1531315505 BMJXKVZHIIWFRM-QUCCMNQESA-N 423.535 0.690 10 10 HCCE CS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1565363752 XHKAAVCVAJCJDT-UHFFFAOYSA-N 423.539 0.175 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 1645242572 MZOXRRZIWARRCQ-HNNXBMFYSA-N 417.487 0.963 10 10 HCCE CC[C@](COC)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC 1646049917 WFWAIIZNHRABQM-HXUWFJFHSA-N 411.474 0.836 10 10 HCCE Cn1c(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc(=O)n(C)c1=O 11296875 QQICLAIWEFKTOD-UHFFFAOYSA-N 419.393 0.799 10 10 HCCE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1303455761 FMSHUIYGEVCIRN-JSGCOSHPSA-N 400.453 0.994 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)c3cnn(C)c3)CC2)c(OC)c1 1460651781 PCTHLWINMJTDLN-UHFFFAOYSA-N 409.512 0.538 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)cc1 1470019020 CBJLWPAFSQHUBF-ZIAGYGMSSA-N 407.496 0.491 10 10 HCCE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@]1(O)CCOC1 1583100875 QYRFDHPVRCBWRZ-FQEVSTJZSA-N 401.442 0.710 10 10 HCCE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1C 1639728387 RHTCFESKFPBPMU-BOPFTXTBSA-N 408.501 0.997 10 10 HCCE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)CCOc1ccc(N)cc1 2163004663 AGIBYUUTULVZGQ-UHFFFAOYSA-N 403.501 0.796 10 10 HCCE COc1cc(N2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cc(OC)c1OC 760086872 XBPNMXODERURRY-UHFFFAOYSA-N 420.466 0.691 10 10 HCCE CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 773823957 MPXYDVMCBSBQMF-UHFFFAOYSA-N 410.418 0.212 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H](S(=O)(=O)N(C)C)C3)nc12 796130551 ZKPGJXSXIPSYPA-CYBMUJFWSA-N 411.484 0.467 10 10 HCCE O=C1C[C@@]2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)CN1 1312981785 FMIDTQQLQCAGQT-IBGZPJMESA-N 406.508 0.343 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)cc2)C1 1355489067 IZFYFYNKZBAEPE-JQHSSLGASA-N 402.495 0.818 10 10 HCCE CS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1471368646 CBTKQMMZTQDEMB-QGZVFWFLSA-N 408.524 0.717 10 10 HCCE CO[C@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 1534540538 ODLBRJKNRYVBIK-DNVCBOLYSA-N 409.508 0.208 10 10 HCCE CS[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799052 LSGNZTZTLPQTEA-BBRMVZONSA-N 401.554 0.833 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCO[C@H]3C)CC2)cc1 1461397867 OHKPKIFOFSJXRO-YJBOKZPZSA-N 411.524 0.688 10 10 HCCE Cn1nnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1C(F)(F)F 1461459570 ICRSFZUTNBVPGT-UHFFFAOYSA-N 417.413 0.999 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)cc2)CC1 1478504213 FDYICRNYTASZFP-IEBWSBKVSA-N 423.583 0.956 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)Cn2nnnc2N1C 1626339222 PHJOOCLSYKBTHH-OAHLLOKOSA-N 410.482 0.415 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1637229182 TYVCGTMRZBPENS-KBPBESRZSA-N 406.483 0.513 10 10 HCCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1645362884 DNEYFICENSOKRM-DOMZBBRYSA-N 410.423 0.677 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCOC(=O)C3CC3)CC2)cc1 1140556522 ABQZJFBNLKGSJU-HJWRWDBZSA-N 401.463 0.969 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1251103189 BQACOXBECCVMDA-INIZCTEOSA-N 403.527 0.596 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C 1252845597 ZOWGLNKJGOMLDE-RHSMWYFYSA-N 409.508 0.872 10 10 HCCE O=C(NCCNC(=O)c1cc[nH]n1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1469524706 QRIBKTUPRTWHSV-UHFFFAOYSA-N 408.409 0.754 10 10 HCCE C[C@H]1CN(CCO)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470754129 PUSUYJKNCYXAQS-INIZCTEOSA-N 410.540 0.129 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3c[nH]nc3S(N)(=O)=O)cc2F)CC1 1585404094 SAWBBNYAEUGPIB-UHFFFAOYSA-N 410.475 0.268 10 10 HCCE O=C1N[C@@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC[C@H]2CO1 1682582577 FANLWFHWONUVEU-DOTOQJQBSA-N 422.507 0.561 10 10 HCCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3C[C@H](C)O)CC2)cc1 1870368712 SGVRNYZCGSHOQR-KRWDZBQOSA-N 417.506 0.931 10 10 HCCE CN(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1468816952 QHORWQFSKDAGII-AWEZNQCLSA-N 417.478 0.537 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC3CN(c4ccncn4)C3)cc2)CC1 1471144340 ZCFIYBXFSHORGX-UHFFFAOYSA-N 409.494 0.866 10 10 HCCE COC(=O)[C@@H]1[C@@H](C(=O)OC)N(c2ccc(OC)cc2)[C@H](C(=O)OC)[C@@H]1C(=O)OC 169615911 STWLDDHSRULJQM-XGUBFFRZSA-N 409.391 0.177 10 10 HCCE C[C@@H](C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1)N1C(=O)c2ccccc2C1=O 169838967 LMRZINMEJBEXIY-JTQLQIEISA-N 413.386 0.334 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 787326629 IYTUHCYLTVXXOP-UHFFFAOYSA-N 401.467 0.302 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2)cc1 1278861703 MDVRNCHJETWBFE-CQSZACIVSA-N 402.476 0.888 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](O)c3ccnn3C)CC2)cc1 1597406134 YXEGXWOZUVFMSV-UCFODXPJSA-N 413.478 0.483 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](O)C3CCC3)CC2)cc1 1452975666 RBTVWGGDQFXAKU-GOSISDBHSA-N 411.524 0.424 10 10 HCCE COc1ccc(N2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 1594800161 UKZAVUGBZPXJJC-UHFFFAOYSA-N 406.464 0.213 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CCNC(=O)CO)NC(=O)OC(C)(C)C)cc1 1618254074 WLIDQEHGILVAOC-INIZCTEOSA-N 408.499 0.933 10 10 HCCE CCOC(=O)[C@@]1(C)CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 1620516586 SFTWYKQDGUWCED-DENIHFKCSA-N 421.538 0.832 10 10 HCCE COC(=O)CCN(C)S(=O)(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 749287416 HPJMJMDXPWALEA-UHFFFAOYSA-N 414.528 0.147 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CN(C)C(=O)O4)C3)CC2)cc1 1469125026 RSSYLTXUXYQTSL-BQYQJAHWSA-N 414.462 0.563 10 10 HCCE CN(CCS(C)(=O)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470751395 ATNUWVTWZXTARY-UHFFFAOYSA-N 403.526 0.107 10 10 HCCE CN(C)CCN1C[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1558397059 JMHNFZQUIYBSHU-GOSISDBHSA-N 415.538 0.415 10 10 HCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1622753071 FPUDCHWCWXHDGB-CQSZACIVSA-N 414.867 0.749 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 1631612762 XMBPMDGMVUWESI-CRAIPNDOSA-N 415.498 0.452 10 10 HCCE CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CCN2C1=O 1687441392 LNTUPWLBQSHDBW-GOSISDBHSA-N 414.510 0.616 10 10 HCCE COc1ccc(N2CCN(C(=O)Cn3c(=O)c4nncn4c4ncccc43)CC2)cc1 65172928 UHHLXRGVSVOVEA-UHFFFAOYSA-N 419.445 0.797 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC(CNS(C)(=O)=O)CC3)cc2)CC1 1471191188 NOXMCYNHPMQRFF-UHFFFAOYSA-N 423.583 0.909 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CCc2nnnn2CC1 1478786248 MBLHZKDNOHOIOY-ZDUSSCGKSA-N 407.425 0.992 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3oc(S(N)(=O)=O)cc3C)CC2)cc1 1583758513 SITITQWAYCENRF-UHFFFAOYSA-N 422.507 0.796 10 10 HCCE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)cc1F 1617665384 FYMSNPGXXROAFJ-DZGCQCFKSA-N 415.473 0.794 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(N4CC[C@H](O)C4)CC3)CC2)cc1 1620437140 RFZVLRCILCLUAL-VXKWHMMOSA-N 418.582 0.709 10 10 HCCE CONC(=O)C1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 1648240460 GOVZLBJBVDLMEE-LJQANCHMSA-N 406.527 0.568 10 10 HCCE COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018004 BLGFWBRLTKSXAR-KBPBESRZSA-N 413.421 0.867 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)c2cccc(O)c2O)C1 2192659819 NZWYDUHJBQAZOY-YPMHNXCESA-N 400.453 0.860 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CC2)cc1 1440673886 KBPSATXCZNXHJA-WOJBJXKFSA-N 414.510 0.925 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1 1479342401 MLGWUMNPDOWBKW-UHFFFAOYSA-N 413.482 0.757 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)N(C)C)cc1 1537482778 IOWQKNCHXLDGCZ-GOSISDBHSA-N 424.505 0.731 10 10 HCCE COC(=O)[C@]1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 1648149000 RYSSPJWSLITLFK-ZSDSOXJFSA-N 423.485 0.665 10 10 HCCE COc1cc(N2CCN(C(=O)NCCCS(N)(=O)=O)CC2)cc(OC)c1OC 1683486618 YUNXTNRTAUFKIL-UHFFFAOYSA-N 416.500 0.223 10 10 HCCE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 778916935 STGCKGACXWESRO-KFWWJZLASA-N 410.492 0.824 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3cnc4n(c3=O)CCS4)cc2)CC1 1178039465 VJQBTYCRVWDZTE-UHFFFAOYSA-N 413.503 0.981 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 1254716967 ZGXQEKFPEZYZQD-QGZVFWFLSA-N 409.556 0.662 10 10 HCCE CNC(=O)C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCOCC1 1655605362 ZAMZPOBXICMSOO-UHFFFAOYSA-N 408.474 0.163 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@H]3CCCS3)CC2)cc1 803748443 ALBWXARMYSEAOH-SFHVURJKSA-N 406.552 0.945 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCCCO)CC2)cc1 1312976797 LBLQGGWJRHFIFQ-UHFFFAOYSA-N 414.528 0.219 10 10 HCCE CCON(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312978269 TUZQCGOCUOFGQU-UHFFFAOYSA-N 400.501 0.740 10 10 HCCE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1nnn(C)n1 1763099970 FJNCIHULBIIZKX-UHFFFAOYSA-N 401.450 0.887 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1768682076 RYJDABXUZRUEFG-CQSZACIVSA-N 417.495 0.699 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)[C@@H]3CCC(=O)N(C)C3)CC2)cc1 1636802620 UFPRSGVBWFHGCN-DOJUMQAQSA-N 414.506 0.979 10 10 HCCE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652068377 MUDPHTMUIXCATF-UGSOOPFHSA-N 402.495 0.280 10 10 HCCE O=C(Cn1ncn2nccc2c1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1129549954 YOMIHVWOLMHZSJ-UHFFFAOYSA-N 404.377 0.322 10 10 HCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1356254971 CGEBKLNDHQPSDV-UHFFFAOYSA-N 410.478 0.693 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCS(=O)(=O)C[C@@H]3CCO)cc2)CC1 1471190253 HJKHASRUMNSTBZ-SFHVURJKSA-N 410.540 0.129 10 10 HCCE Cn1cc(N2C[C@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2=O)cn1 1537840027 UKPFEPWTXBJBEY-QGZVFWFLSA-N 424.505 0.791 10 10 HCCE CCN1C[C@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1683825764 BLHISCRZISYVNE-INIZCTEOSA-N 408.524 0.589 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(C(C)(C)C(N)=O)CC3)cc2)CC1 1687441581 RORJZTQVCZBIRK-UHFFFAOYSA-N 402.543 0.530 10 10 HCCE O=C(CN1C[C@H]2CS(=O)(=O)C[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 1198260401 JRHJCBQKMDQQKA-IYBDPMFKSA-N 411.499 0.255 10 10 HCCE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1298365168 QXVZMOQGBHQNAI-UHFFFAOYSA-N 407.496 0.787 10 10 HCCE COc1cc(N2CCN(C(=O)C3CN(C)CCN(C)C3)CC2)cc(OC)c1OC 1447444266 KPAFCLLKZRKBQW-UHFFFAOYSA-N 406.527 0.854 10 10 HCCE CNC(=O)[C@@H]1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1469198846 AXEQMCFNQSFMAX-KXPUMZMLSA-N 400.479 0.495 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2)cc1 1638650480 VKUFDPJYUZGBKB-KSSFIOAISA-N 416.453 0.963 10 10 HCCE O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNCCCN1CCOCC1 2296136191 SXKDLRQMEORYNZ-UHFFFAOYSA-N 406.483 0.765 10 10 HCCE COc1cc(C)cc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1O 754727305 WPKIUJZCLFPWFN-UHFFFAOYSA-N 409.464 0.908 10 10 HCCE CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cn1 1455222933 GSEMXIXEVLKTHG-UHFFFAOYSA-N 403.508 0.672 10 10 HCCE C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565044154 JELFGRQUEDQSIT-AWEZNQCLSA-N 417.553 0.496 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)cc1 1565056675 YLPAQBODUDLDMD-QGZVFWFLSA-N 401.511 0.880 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@H]3CCN(C)C3)CC2)cc1 1640017275 WMTCKUJXJMYTRK-QGZVFWFLSA-N 424.567 0.605 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)C2)cc1 1639686869 JDCNDEDLQULCTH-OAHLLOKOSA-N 421.523 0.658 10 10 HCCE COC(=O)[C@H]1CSCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1660179201 AEJQBOJAEWEPEJ-IEBWSBKVSA-N 409.552 0.769 10 10 HCCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029727 UGSSFEFGGGJGJZ-OAHLLOKOSA-N 402.451 0.929 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ncccc3O)cc2)C1 1136340032 BMFRKLKGUGHSQL-OAHLLOKOSA-N 411.462 0.535 10 10 HCCE O=C(NCc1c(O)cccc1O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1156885479 GPGCSAOCQPWJLO-CYBMUJFWSA-N 400.840 0.707 10 10 HCCE COC(=O)[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C 1654840007 AJHAINSZLZZXJB-IBGZPJMESA-N 419.457 0.516 10 10 HCCE O=C1N[C@H]2CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@@H]2CO1 1683897352 ZQXVEDKNKHGPGZ-WBVHZDCISA-N 422.507 0.561 10 10 HCCE CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)cc1 169911851 FLSLNOKODYXYKI-UHFFFAOYSA-N 409.420 0.470 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCS(=O)(=O)C1 740889164 XPNVTFHNKHPTRW-MRXNPFEDSA-N 413.515 0.645 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(=O)n(C)c3)CC2)cc1 781964713 CITILIBKEDZFHX-UHFFFAOYSA-N 413.478 0.271 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/[C@H]3CCCO3)CC2)cc1 1130864720 DPVRZCWGMVAGLO-CSHXORCISA-N 423.535 0.998 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C3(OC)CS(=O)(=O)C3)CC2)cc1 1351472282 ZXSDVZOHXZMLQJ-UHFFFAOYSA-N 411.524 0.137 10 10 HCCE CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1455867041 NZALWOSBMKPILE-QGZVFWFLSA-N 424.567 0.968 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC2(CCNC2=O)CC1 1683896504 HACHWUQXFKYJEN-UHFFFAOYSA-N 420.535 0.733 10 10 HCCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 758001759 ABJRWPGZSHVQHU-ZDUSSCGKSA-N 400.357 0.756 10 10 HCCE CO[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470252185 WOSDGFYVYXTNNQ-FUHWJXTLSA-N 411.524 0.772 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(C[C@H](O)CO)c3)cc2F)C[C@@H](C)O1 1630551089 ZIZFLEAUTKDDMG-CPUCHLNUSA-N 406.458 0.919 10 10 HCCE CC(C)c1ccc(N2C(=O)C(=CNCCN3CCNCC3)C(=O)NC2=S)cc1 2297510254 XKXKUXQAQXSAEV-UHFFFAOYSA-N 401.536 0.936 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3csnn3)CC2)cc1 1640980526 VCXJUBAYXHGVCA-UHFFFAOYSA-N 411.509 0.429 10 10 HCCE CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1253511596 MNMPIATUERVIRV-SFHVURJKSA-N 410.540 0.871 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1 1585654078 PNVZQEXUHMFEIJ-QAPCUYQASA-N 411.524 0.688 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1COCCN1CC(F)F 1624658428 FWBFKFSFTUFSDI-QWHCGFSZSA-N 402.394 0.654 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 787320095 RRPZXUAGEPFUJG-UHFFFAOYSA-N 410.540 0.689 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1137082283 UTSLFDBJXRJQTF-LBPRGKRZSA-N 406.455 0.769 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCSC[C@H]3CO)CC2)cc1 1151329717 KCGHJUCIVNDDPQ-JTGQJZMRSA-N 405.520 0.836 10 10 HCCE CN(C)c1n[nH]c(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1252851877 RRCJJYVVQDNTMY-UHFFFAOYSA-N 407.500 0.105 10 10 HCCE NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2c(O)cccc2F)c1 1471974558 FFONPAPEASPOBY-UHFFFAOYSA-N 409.439 0.945 10 10 HCCE C[C@]1(CCCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)NC(=O)NC1=O 1558397860 SIAMXAZFWIRGLK-OAQYLSRUSA-N 415.494 0.773 10 10 HCCE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)cn2)CC1 1558930773 TUQSGOQWNCFNDA-UHFFFAOYSA-N 410.427 0.966 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccncn3)CC2)cc1 1586836619 QPZSANWCDQPLRW-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1684174219 AZSSTRXETZNOSY-WMZOPIPTSA-N 418.494 0.454 10 10 HCCE [N-]=[N+]=NCCCNS(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2086865104 KLHDMQJHTBGRQU-LBPRGKRZSA-N 406.424 0.426 10 10 HCCE COCCN1C(=O)/C(=C/NNc2ccc(Br)cn2)C(=O)NC1=S 727490684 UIZURUJJCGXGJF-VQHVLOKHSA-N 400.258 0.534 10 10 HCCE COC(=O)[C@H]1CSCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620586243 PMHCJPGOYSXHOO-QGZVFWFLSA-N 411.499 0.869 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC(OCCC(=O)NC)CC3)nc12 752339171 XEYIRVOUEJYNOL-UHFFFAOYSA-N 405.455 0.729 10 10 HCCE COc1ccc(N(CC(=O)N2CCO[C@@H](C)C2)CC(=O)N2CCO[C@H](C)C2)cc1 914868908 RPSUBNABIYVGGM-CALCHBBNSA-N 405.495 0.996 10 10 HCCE CCS(=O)(=O)N[C@H](C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1135936047 QYBFTKMUHMZIDV-MRXNPFEDSA-N 412.556 0.651 10 10 HCCE Cn1nc2c(c1C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CS(=O)(=O)CC2 1355131611 XSTKHLSQNBJIQR-UHFFFAOYSA-N 422.482 0.797 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncoc3C)CC2)cc1 1531664979 KDYOVEHBFSSPOJ-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE COCCN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1675579992 GSNQJYXUCBBBQD-LJQANCHMSA-N 424.567 0.784 10 10 HCCE O=C1CN(S(=O)(=O)c2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)CCN1 1643168444 BZRBSIKWNMHTTI-UHFFFAOYSA-N 401.444 0.669 10 10 HCCE Cc1nnc(CN(C)CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C 746147807 QCFQHDDBNKURPT-KRWDZBQOSA-N 413.526 0.573 10 10 HCCE COc1ccc(N2CCN(CCCNc3ccc(C(=O)NCCO)nn3)CC2)cc1 768516483 DQMKUXMESNFZIC-UHFFFAOYSA-N 414.510 0.832 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@H]3C(=O)N(C)C)CC2)cc1 778222629 ZWVKTQWABOXCOS-VYENPZKTSA-N 414.506 0.979 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@]3(CCO)CCOC3)CC2)cc1 778349372 CIDXPFNNXHVHDO-WMWRJIBUSA-N 417.506 0.805 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](OC)C3CC3)CC2)cc1 1130865805 VWSKZLICYQRSJX-GOSISDBHSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCCN(C(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 1264733158 POAOJUXXVWGYGE-INIZCTEOSA-N 400.439 0.748 10 10 HCCE C[C@@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1ccc(N2CCOCC2)cc1 1357929043 SGICCDBUUHDZIN-CQSZACIVSA-N 419.507 0.845 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3nc4ncc(CCO)cn4n3)cc2)C1 1441946596 MKPGOMFILDEFEG-INIZCTEOSA-N 423.477 0.291 10 10 HCCE CCc1n[nH]cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1452971853 HSUPFHWWVVYGDE-UHFFFAOYSA-N 421.523 0.863 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 1633473867 WZQBNAUKTRTVML-CVEARBPZSA-N 422.478 0.963 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)CC1 1683698253 KBKYNJPZYMPHHA-FQEVSTJZSA-N 415.538 0.971 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 744338761 KBBPJTYHQRVHQI-LBPRGKRZSA-N 409.439 0.977 10 10 HCCE NC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCO1 769046682 BNKWTDYDBOHAQR-LJQANCHMSA-N 401.511 0.614 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cc(C)no3)CC2)cc1 1146355451 DZNMPGLQKIDWEO-UHFFFAOYSA-N 422.507 0.802 10 10 HCCE COC[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)O1 1230799870 XXSGLZHJQDBWKZ-YJBOKZPZSA-N 411.524 0.867 10 10 HCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652067790 AFLBDUPYXWMJMI-QFIPXVFZSA-N 412.490 0.617 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCO[C@@H]3CCOC3)CC2)cc1 1639080488 GWEDLSZFSAROQX-LIXSYLKWSA-N 403.479 0.822 10 10 HCCE C[C@H]1CS(=O)(=O)CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1660283975 NLUGWAOOWUGKFK-HNNXBMFYSA-N 413.515 0.788 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCCO[C@H](C)C3)CC2)cc1 803746389 BSOFXWGKPGVSJI-QGZVFWFLSA-N 404.511 0.571 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 804693473 VSHIXAHVRXBDHF-GFCCVEGCSA-N 405.498 0.308 10 10 HCCE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 1297868737 JUWQARVYCSJLIC-AWEZNQCLSA-N 421.479 0.532 10 10 HCCE O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)NCc1ccc(N2CCOCC2)c(F)c1 1620647875 GCCGMLOOGZVEAU-SFTDATJTSA-N 420.529 0.810 10 10 HCCE O=C(CN1CCC[C@@H]2OCCNC(=O)[C@@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1644267266 DBEABRVECQICBR-AZUAARDMSA-N 420.485 0.258 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]4OCCNC(=O)[C@@H]43)CC2)cc1 1648125188 YRCGRAAGUPLYRF-SESVDKBCSA-N 418.538 0.158 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CN(C)CCN1C 1676125810 LARPFLFKOJKGGY-OXQOHEQNSA-N 416.570 0.822 10 10 HCCE COCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1684970391 LVPRAXWRQANVFT-UHFFFAOYSA-N 403.527 0.875 10 10 HCCE CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CCN2C1=O 1687441393 LNTUPWLBQSHDBW-SFHVURJKSA-N 414.510 0.616 10 10 HCCE O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1cc(Br)ccc1O 804738082 BHEXLJCGTKHBHR-UXOAXIEHSA-N 409.236 0.933 10 10 HCCE CN(C)S(=O)(=O)NCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1143190963 KKRUNKOYXSPADS-UHFFFAOYSA-N 406.455 0.769 10 10 HCCE C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(N2CCOCC2)cc1 1356167199 YNNRXOZACKQCSG-CJNGLKHVSA-N 400.439 0.714 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnn(C)c3C)CC2)cc1 1469901337 YWRYAVJEKNLGFH-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE CCOc1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)nn1 1630149839 OFVYECGCDDZKTP-UHFFFAOYSA-N 421.479 0.915 10 10 HCCE CC[C@@](COC)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC 1646049916 WFWAIIZNHRABQM-FQEVSTJZSA-N 411.474 0.836 10 10 HCCE [N-]=[N+]=NCCCNS(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2086865103 KLHDMQJHTBGRQU-GFCCVEGCSA-N 406.424 0.426 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 754488878 LAPXLLDUVDCKBT-UHFFFAOYSA-N 414.510 0.922 10 10 HCCE O=S(=O)(N1CCOCC1)N1CCN(Cc2cccc(Br)c2O)CC1 768264365 MJNLPASHSHADDM-UHFFFAOYSA-N 420.329 0.849 10 10 HCCE CN(C)C1CCN(C(=O)Cc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CC1 1339225780 ULRJNUQQCILLIK-UHFFFAOYSA-N 423.495 0.909 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CN(c4ccncn4)C3)CC2)cc1 1587769596 LRQPQLUKSCIHKR-SREVYHEPSA-N 422.489 0.695 10 10 HCCE C[C@H](CN1CCOCC1)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271140 HBJCZODSXNXOOJ-QGZVFWFLSA-N 424.567 0.784 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 728748795 HVYSBTKPZVLYLJ-SFHVURJKSA-N 406.483 0.401 10 10 HCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1291871523 WQBTZKCUSPWOAS-NVXWUHKLSA-N 420.510 0.890 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NC3CN(S(=O)(=O)N(C)C)C3)C2)cc1 1683339840 HRRMYKCNYHHMTN-CQSZACIVSA-N 411.528 0.311 10 10 HCCE O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1 169838985 NKSKIXGBSPADSC-OAHLLOKOSA-N 413.430 0.698 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@](C)(OC)C3)CC2)cc1 803746322 AIIKZLNHEKUFCZ-JOCHJYFZSA-N 418.538 0.961 10 10 HCCE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(C[C@H](O)CO)c1 1150348719 RSJBWQAWBVELPE-SJORKVTESA-N 408.886 0.990 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN(C)C3CCC3)CC2)cc1 1300444680 POWZUMXMWMEWAQ-UHFFFAOYSA-N 424.567 0.748 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3coc(C=O)c3)CC2)cc1 1583891966 NRLRSGVBJSFZMJ-UHFFFAOYSA-N 421.475 0.983 10 10 HCCE CN(C)S(=O)(=O)n1ccnc1CNc1ccccc1OCC(=O)N1CCOCC1 811471874 ZDCXXYLQGOQNKM-UHFFFAOYSA-N 423.495 0.387 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)C2)cc1 1129993216 LKRVUIHAGZVJHV-BBRMVZONSA-N 400.439 0.651 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN3CCC(O)CC3)CC2)cc1 1468122048 GNNGKAHZOBCVNU-VOTSOKGWSA-N 416.522 0.473 10 10 HCCE O=C(NCCCN1CCOCC1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1628565786 XPBFPYSHYQIEJS-UHFFFAOYSA-N 405.495 0.717 10 10 HCCE CN1CCN(c2ccc(CNC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)cc2)CC1 1651023561 BCZMKGLPMKUAHZ-FQEVSTJZSA-N 414.481 0.985 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CSCN3C(C)=O)CC2)cc1 730310527 JWFPCAIAUZCIDY-KRWDZBQOSA-N 407.492 0.808 10 10 HCCE CN1CCN(c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)CC1 775644196 GMVCVVMRXDNJNO-UHFFFAOYSA-N 401.555 0.415 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 777826387 MGEKVXNZJMOVIQ-DAXSKMNVSA-N 421.837 0.658 10 10 HCCE COC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1469448665 SWYVWZHTGPNUMQ-OAHLLOKOSA-N 414.528 0.481 10 10 HCCE COC(=O)[C@H](O)C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1479185653 PYULCRUVEOBIRX-LJQANCHMSA-N 404.511 0.894 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NOC3CCC3)CC2)cc1 1683846385 ABFATWDEFSQUES-UHFFFAOYSA-N 412.512 0.930 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1696701275 ZOMVSMHCRGMWLC-HNNXBMFYSA-N 417.495 0.814 10 10 HCCE COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N 2037895381 MODQBPNLVGRNTJ-UHFFFAOYSA-N 410.488 0.299 10 10 HCCE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(N)cc1 2162919780 AAUKNFPANLGIOS-UHFFFAOYSA-N 419.525 0.981 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)N1 1136284805 CXJVWHXVXARVIQ-CQSZACIVSA-N 407.414 0.850 10 10 HCCE CC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312626586 NLRYCRANQYIJFQ-GOSISDBHSA-N 422.551 0.979 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN([S@](C)(=N)=O)CC3)CC2)cc1 1644421112 AZTVESZYFCDOCH-JMQGSBJISA-N 411.572 0.387 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1142728603 YCEUTIFELHZPPC-CQSZACIVSA-N 416.459 0.722 10 10 HCCE CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1534540856 RXVLWIFDWASXLV-SJORKVTESA-N 422.551 0.676 10 10 HCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1637549580 GYMICMIZXBYZNJ-OAHLLOKOSA-N 405.467 0.991 10 10 HCCE CCC[C@H](O)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1640016984 LRTHGWBLOFJCFD-KRWDZBQOSA-N 413.540 0.814 10 10 HCCE O=C(O)CCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)SC1=S 2297312564 BZKVBCJXMJDPNQ-UHFFFAOYSA-N 406.488 0.868 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1cc(O)ccc1O 1471661286 LZGSWGUGCTUNAL-UHFFFAOYSA-N 413.473 0.846 10 10 HCCE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1583144140 GCEQEEBDLOGWHX-GFCCVEGCSA-N 400.375 0.776 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC([C@H]4COC(=O)N4)CC3)CC2)cc1 1655760186 AESFGYSYAMYRHZ-TZIWHRDSSA-N 418.538 0.999 10 10 HCCE O=C1NCCCn2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)cc21 65258701 WNGYUTKBFWRBBX-UHFFFAOYSA-N 404.492 0.937 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@H](C)N(C)C3CC3)CC2)cc1 803749541 HNVGJWHWAFAMCD-KRWDZBQOSA-N 417.554 0.532 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCS3(=O)=O)cc2)CC1 1312694061 HWJCRELULHXHAY-KRWDZBQOSA-N 408.524 0.765 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CNC(C)(C)CN3CCOCC3)CC2)cc1 1653895552 NIHVEUOTLWMZQD-HXUWFJFHSA-N 406.571 0.879 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CCc4nnnn4CC3)CC2)c(OC)c1 1682111184 UZEJWGJZRKZGNM-AWEZNQCLSA-N 401.471 0.927 10 10 HCCE CCOCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1767957855 DMKDGOAHENPUSH-UHFFFAOYSA-N 400.483 0.636 10 10 HCCE O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1 169838986 NKSKIXGBSPADSC-HNNXBMFYSA-N 413.430 0.698 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@]3(C)CCS(=O)(=O)N3)cc2)CC1 1447713631 QUGUXBOSDSWVIY-IBGZPJMESA-N 408.524 0.443 10 10 HCCE O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 1460357110 USJAYWCFMJJHPY-MRXNPFEDSA-N 406.458 0.805 10 10 HCCE CC[C@H](CO)N1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779222182 IQMZZESIWCAVTE-TZIWHRDSSA-N 406.571 0.567 10 10 HCCE CCS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1313063422 DKGVKUBXIGNINP-UHFFFAOYSA-N 410.540 0.825 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3CCNC3=O)CC2)cc1 1638488557 KGZRZNZWQFMKEY-SREVYHEPSA-N 401.467 0.041 10 10 HCCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 169902523 DGIKUEQQTGSTAH-UHFFFAOYSA-N 423.403 0.858 10 10 HCCE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)C(C)=O)n2N)c1 808013245 SNUHHPXHKCKTJF-UHFFFAOYSA-N 411.509 0.940 10 10 HCCE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C[C@H](C)O1 1136206584 LCAIZNGMCIEHMU-KBPBESRZSA-N 413.496 0.139 10 10 HCCE CS(=O)(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1312954036 RHWFJCOVYXKJKQ-INIZCTEOSA-N 423.539 0.221 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 1469665499 ZHBJIVXKDRSFFX-OXUXSNCKSA-N 414.506 0.177 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1587460265 SKXFNNLHIMHYQD-UHFFFAOYSA-N 419.507 0.626 10 10 HCCE CO[C@@H]1COCC[C@H]1N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682582791 JHUSTHDSTQPLJD-QZTJIDSGSA-N 411.524 0.867 10 10 HCCE COC(=O)C1=S=C(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C(C(=O)OC)=C1C 1860741327 WTKXIHOVHAQKBO-UHFFFAOYSA-N 418.427 0.656 10 10 HCCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864011863 ZGSMSMFWCNHTSG-HNNXBMFYSA-N 402.451 0.977 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 1868589805 QHGLFVNJFJYCLU-JKSUJKDBSA-N 423.535 0.673 10 10 HCCE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1130780063 GQSCUHZWVAVAPC-FUHWJXTLSA-N 424.519 0.896 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3sccc3S(N)(=O)=O)CC2)cc1 1544315430 PYTVVOOJJPRXCO-UHFFFAOYSA-N 424.548 0.956 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1 1556931807 HCTFVSJPONMNLJ-LBPRGKRZSA-N 403.482 0.623 10 10 HCCE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620568636 NKKZXUUTKSHTCO-AEFFLSMTSA-N 423.485 0.979 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 1478860976 TZCOCXAZWALQPW-CRAIPNDOSA-N 405.499 0.861 10 10 HCCE CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O 1531595912 YYGSHIZPDRLZLW-LJQANCHMSA-N 422.507 0.258 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4c3S(=O)(=O)N(C)CC4)C2)cc1 1142798072 LWJFIPYOFMOYAO-AWEZNQCLSA-N 419.507 0.782 10 10 HCCE C[C@@]1(CCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)NC(=O)NC1=O 1544929992 RRBGIOOJFWRYQM-VFNWGFHPSA-N 415.494 0.773 10 10 HCCE C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652068375 MUDPHTMUIXCATF-SCLBCKFNSA-N 402.495 0.280 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 1742141619 KTFTZBMIYFRSGK-KRWDZBQOSA-N 411.510 0.978 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@@]3(CCO)CCOC3)CC2)cc1 762270879 FXCJAEFOXSCVJA-OAQYLSRUSA-N 406.527 0.906 10 10 HCCE CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768683701 REZPYVXVXVPPIK-UHFFFAOYSA-N 409.556 0.567 10 10 HCCE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C[C@@H](C)O1 1136206586 LCAIZNGMCIEHMU-ZIAGYGMSSA-N 413.496 0.139 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1nnc2c(=O)[nH]ccn12 1255535853 ANZHGNIVLUQKHC-UHFFFAOYSA-N 411.466 0.626 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)COC1 1618647992 KVZUACFBBJDXQR-UHFFFAOYSA-N 400.472 0.464 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(O)CCCC3)CC2)cc1 1632291171 HACNJFDAJKQIIQ-UHFFFAOYSA-N 411.524 0.568 10 10 HCCE COC(=O)[C@]1(C)C[C@@H](OC)CN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1647992860 BBKIDZJTGLVYJV-UZKOGDIHSA-N 421.538 0.831 10 10 HCCE COc1ccc(N2CCN([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c(OC)c1 1648084256 LSLSUXIIXYHEOP-HZPDHXFCSA-N 404.511 0.938 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CNC(C)(C)CN3CCOCC3)CC2)cc1 1653895551 NIHVEUOTLWMZQD-FQEVSTJZSA-N 406.571 0.879 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@H](F)C3)CC2)cc1 1674219291 MZCXAEPHUPHULQ-HNNXBMFYSA-N 414.503 0.900 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O 6030187 OWCHPBVMSHIYCQ-QZYUWFNPSA-N 400.383 0.973 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)c3nnc(O)n3C)CC2)cc1 1163836033 NXFUQRSUHHSOOZ-MYSGNRETSA-N 414.466 0.612 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2)C1 1534541099 UFNNSLMBVGZKQL-IRXDYDNUSA-N 412.494 0.946 10 10 HCCE COCCN1C[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1535157851 ZYAPBKQQYUZZQL-QGZVFWFLSA-N 402.495 0.499 10 10 HCCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCCN1CCNCC1 2296173581 WXNGUWJGXHGBFC-UHFFFAOYSA-N 411.384 0.667 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCN(CCC(=O)N(C)C)CC3)nc12 760986617 XHDKQTFEIGFANO-UHFFFAOYSA-N 404.471 0.208 10 10 HCCE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148700226 ALXOFGNEGDFGGV-SFHVURJKSA-N 404.511 0.670 10 10 HCCE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 775975481 OZBFODYQQQOJFQ-STQMWFEESA-N 400.453 0.946 10 10 HCCE NS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 785864748 QAMQRVBWEXXMMV-CQSZACIVSA-N 414.503 0.749 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)cc2)CC1 1478504215 FDYICRNYTASZFP-PKOBYXMFSA-N 423.583 0.956 10 10 HCCE COC(=O)N(C)CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640593049 KKCGZJXXWXJQIS-CMDGGOBGSA-N 404.467 0.714 10 10 HCCE CN1CCN(c2nc(=Nc3cc(Cl)ccc3O)nc(N3CCN(C)CC3)[nH]2)CC1 1871732994 WZGVUBATNXIVJW-UHFFFAOYSA-N 418.933 0.900 10 10 HCCE COc1ccc(CCN2C(=O)NC(=O)C(=CNCCCN(C)C)C2=O)cc1OC 2296166907 FFGIRUSSEVGZKZ-UHFFFAOYSA-N 404.467 0.750 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnc(C)n3C)CC2)cc1 1165636556 CCXANYAOXFQIDJ-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE NC(=O)[C@H](F)C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1460641124 PBUWDCKYYFHCQZ-LJQANCHMSA-N 410.465 0.814 10 10 HCCE CC1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1535157377 WFIYYXDITGAXBF-UHFFFAOYSA-N 401.467 0.335 10 10 HCCE CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 752004922 MSDQNWPRPIQDHO-UHFFFAOYSA-N 414.503 0.839 10 10 HCCE CCS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768722671 XUMYVRHOGYZGJT-UHFFFAOYSA-N 423.583 0.957 10 10 HCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1141995929 CLXKDDCEAFLHNN-RDJZCZTQSA-N 420.510 0.890 10 10 HCCE CC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312626587 NLRYCRANQYIJFQ-SFHVURJKSA-N 422.551 0.979 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccnnc3)CC2)cc1 1469901215 WJWOVGASYLLGGQ-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3ccc(O)c(O)c3)ncnc1-2 1565642091 UTIFWFZDVCJTCB-UHFFFAOYSA-N 421.255 0.681 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1F 1631377419 MYFNNMHORZZOIA-DOTOQJQBSA-N 401.442 0.913 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 786257020 KUIMPHIREPPQDF-UHFFFAOYSA-N 401.467 0.302 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]cc3C)CC2)cc1 1452970400 BZDZEGNOYJSUIQ-UHFFFAOYSA-N 407.496 0.609 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nonc3C)CC2)cc1 1640979962 JRJBITXXESREMK-UHFFFAOYSA-N 409.468 0.268 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CN(C)Cc3nnc(C)n3C)CC2)cc1 746173266 BSCGVFAWMSMXKT-UHFFFAOYSA-N 415.542 0.502 10 10 HCCE O=C(COC(=O)CN1CCOCC1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 790734413 AYWHAFQYDZUXSE-UHFFFAOYSA-N 422.393 0.803 10 10 HCCE COC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1251104821 QIMRVNNLFQNPMM-UHFFFAOYSA-N 403.483 0.982 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)NCCCS(=O)(=O)NC)cc2F)CC1 1471021049 OOIPWWRFTNSZLA-UHFFFAOYSA-N 415.535 0.706 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 1527893072 XSCVGNCLLKYQJH-PIIMJCKOSA-N 409.508 0.156 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O 1565127385 PESPGUPOEPNWMP-HNNXBMFYSA-N 410.540 0.823 10 10 HCCE CC1=C(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)Cn2nnnc2N1C 1161182114 TUERJGCBESZGOR-UHFFFAOYSA-N 405.409 0.828 10 10 HCCE Cn1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(=O)c2cnn(C)c21 1178038505 DKXAQTFNJDMERP-UHFFFAOYSA-N 422.489 0.904 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)C2)cc1 1531729992 OJMOQEXUTMYRBA-ZDUSSCGKSA-N 411.462 0.593 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnnc(C)c3)CC2)cc1 1628747365 JRJZTLLWIPJHSV-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE CCn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 1640017093 RSKZDFOIGLIGEG-UHFFFAOYSA-N 422.511 0.188 10 10 HCCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028675 XSLJVAAXQJVJBE-LRDDRELGSA-N 400.435 0.818 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 786994736 BOWYAYCQLGSMGT-UONOGXRCSA-N 424.473 0.918 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@H]3CCCOC3)CC2)cc1 793675440 CUMKNSURSLPHBJ-QGZVFWFLSA-N 404.511 0.476 10 10 HCCE Cn1cc(/C=C/C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(=O)n(C)c1=O 805259536 IXJVORANEIPBBB-APPUJDCNSA-N 424.457 0.133 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(OC)c1 1169973132 BWRFCZYEDZJJQC-QAPCUYQASA-N 413.478 0.782 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCc2nnnn2CC1 1470562273 IOQLKZFIWBGGFH-OAHLLOKOSA-N 419.511 0.112 10 10 HCCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CS(=O)(=O)C1 2200959923 ZHAFMDPSZJFBNV-LBPRGKRZSA-N 400.453 0.447 10 10 HCCE COc1cccc(N2C(=O)C(=CNCCCN3CCOCC3)C(=O)NC2=S)c1 2296110663 VBJYXLWEBSUNQE-UHFFFAOYSA-N 404.492 0.639 10 10 HCCE NS(=O)(=O)CCCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1312777891 KCFCGHNARNSDPS-UHFFFAOYSA-N 406.455 0.669 10 10 HCCE CCO[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1628748431 XUXZXCPSFQHOCE-QZTJIDSGSA-N 411.524 0.688 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)N(C)C)cc1 1637004879 UYWWPUHCRKDDSE-SFHVURJKSA-N 411.572 0.049 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCCN(S(=O)(=O)C4CC4)CC3)nc12 801979452 AWJLLMXVAFXZOK-UHFFFAOYSA-N 423.495 0.612 10 10 HCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1162278438 HYEDKFLSCDNVEH-NUEKZKHPSA-N 410.492 0.824 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O 1253511986 PESPGUPOEPNWMP-OAHLLOKOSA-N 410.540 0.823 10 10 HCCE CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1455867038 NZALWOSBMKPILE-KRWDZBQOSA-N 424.567 0.968 10 10 HCCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865727979 ZLYRFSHJKSLYHY-ZANVPECISA-N 416.434 0.105 10 10 HCCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 64967042 OIUBSWDDUSDGPM-UHFFFAOYSA-N 421.457 0.902 10 10 HCCE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 806279264 JQXFWXALERJSAA-UHFFFAOYSA-N 414.553 0.837 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@@H](CO)[C@H](CCO)C3)cc2)CC1 1251104829 QIYMYPFICOKMBG-MSOLQXFVSA-N 404.511 0.521 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCC4)cc2)CC1 1535155765 CBRGDKGQYXEFDG-UHFFFAOYSA-N 412.494 0.399 10 10 HCCE CC(C)(C)n1nnc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1686906177 JKEXNVQGLCPXST-UHFFFAOYSA-N 421.527 0.662 10 10 HCCE COCCN1CN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1=O 801002000 BIJLGGDLBMRICT-UHFFFAOYSA-N 405.499 0.275 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCCS(=O)(=O)C[C@H]3C)CC2)cc1 1176380641 FCSYMOWYHDUJHQ-IEBWSBKVSA-N 411.568 0.687 10 10 HCCE C[C@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1ccc(N2CCOCC2)cc1 1357929042 SGICCDBUUHDZIN-AWEZNQCLSA-N 419.507 0.845 10 10 HCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]1C 1535155721 BHXOLZKFXPDHID-FSPWUOQZSA-N 403.479 0.971 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](O)c3ccnn3C)CC2)cc1 1597406128 YXEGXWOZUVFMSV-FQQSSWHASA-N 413.478 0.483 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4cccnn4)CC3)CC2)cc1 754026097 SBFANXOEYYDEQT-FQEVSTJZSA-N 412.538 0.790 10 10 HCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 790562646 ZPBZHSYGAYRGJI-HTAPYJJXSA-N 412.490 0.617 10 10 HCCE COC(=O)c1cn(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 1155603499 CECMUPPSLRVPKN-UHFFFAOYSA-N 400.439 0.083 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nnc2c(=O)n(C)ccn12 1246021244 FHEZSUNLFQMPAB-UHFFFAOYSA-N 411.466 0.606 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)CC2)cc1 1629880353 HXZQLQOCTKKGRD-MYSGNRETSA-N 415.450 0.214 10 10 HCCE CC(=O)NCCNC(=O)CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1638688231 FJRRYPWCRYLFIA-UHFFFAOYSA-N 412.437 0.450 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729420296 LYTCXEPZRNHNDD-BEFAXECRSA-N 422.507 0.674 10 10 HCCE CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 735092293 CVNOWXKMFHGXRQ-AWEZNQCLSA-N 400.476 0.495 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)C(C)(C)C3)CC2)cc1 754062442 UESYFQCJBZTWHF-GOSISDBHSA-N 411.568 0.687 10 10 HCCE COc1cc(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc(OC)c1OC 759240418 QTLGQUIDFSYEIN-UHFFFAOYSA-N 406.399 0.561 10 10 HCCE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 760863384 CUNWPYHEOFOFGC-DLBZAZTESA-N 416.526 0.991 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCO1 1479185928 WPZNGGRNKAVNRP-SFHVURJKSA-N 404.515 0.278 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)CC1 1683698256 KBKYNJPZYMPHHA-HXUWFJFHSA-N 415.538 0.971 10 10 HCCE COC[C@@]1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1683897317 YGWSIZJZNQDPEF-LJQANCHMSA-N 411.524 0.868 10 10 HCCE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)C(C)=O)c1OC 808505028 PXTYXKKTBHHQKE-UHFFFAOYSA-N 415.420 0.040 10 10 HCCE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cc(O)ccc2O)c1 1153879193 IWOJNTJGVPTBSL-UHFFFAOYSA-N 409.464 0.606 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cn(C)nc3C)CC2)cc1 1300443458 FQTQHWYUOAZSCZ-UHFFFAOYSA-N 421.523 0.619 10 10 HCCE O=C1Cc2c(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccnc2N1 1453080148 XXOGZTMSWHVBIX-UHFFFAOYSA-N 400.460 0.741 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C(N)=O)c3ccccn3)CC2)cc1 1624833224 YNVCEJJCXOIARH-YUQDSPFASA-N 423.473 0.638 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cnc[nH]3)CC2)cc1 1640980162 NCSDUOFGUXRZSR-UHFFFAOYSA-N 407.496 0.229 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)cc2)C1 1141995925 CHDNXKLQYQIZJM-HNNXBMFYSA-N 405.520 0.829 10 10 HCCE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)CCOc2ccc(N)cc2)COC1 2162569098 ZWTQDOQTZQBLLL-UHFFFAOYSA-N 401.485 0.861 10 10 HCCE CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCCS(N)(=O)=O 1251734699 HMZDZGVZGCNQHP-UHFFFAOYSA-N 424.317 0.991 10 10 HCCE CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1517621744 ZBSHKIOOIIPJEC-UHFFFAOYSA-N 412.491 0.610 10 10 HCCE CN(C)c1noc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1564741606 ZCKKEMGPRZGGGA-UHFFFAOYSA-N 408.484 0.370 10 10 HCCE COc1ccc(C(=O)NC2=S=C(C(=O)NCCCCS(C)(=O)=O)C=C2)cc1 1584328180 QOCIKIFQPKPQDT-UHFFFAOYSA-N 410.517 0.971 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1632355635 AYHCQRAAHGYYEQ-KGLIPLIRSA-N 411.476 0.903 10 10 HCCE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1644112485 JNRAHKAFDQRAAP-IERDGZPVSA-N 423.485 0.931 10 10 HCCE O=C(NCCCn1ccc(O)nc1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683018149 GLVYGKPWEJVXLZ-UHFFFAOYSA-N 423.420 0.953 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccn(C)c3=O)CC2)cc1 754937835 CZEKUFAIXVXXGQ-UHFFFAOYSA-N 413.478 0.271 10 10 HCCE COC(=O)[C@]1(O)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1153270596 WXMGEAHWEABYGW-CQQBXOTJSA-N 417.462 0.036 10 10 HCCE O=C(NCCN1CCCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312778674 LMMQRWBXPVJPOH-UHFFFAOYSA-N 410.540 0.443 10 10 HCCE CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470905569 PWUPPGYCLJYVKV-QGZVFWFLSA-N 405.499 0.487 10 10 HCCE CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1471548987 ZJDJYZGHVWVWNX-KRWDZBQOSA-N 412.560 0.147 10 10 HCCE CN1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)C1 1517411913 FOEZAENPHLONKA-NRFANRHFSA-N 414.510 0.923 10 10 HCCE CCO[C@@H]1COC[C@H]1NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1556614807 BTYULUJIKVBJLO-FAPWYTRCSA-N 403.479 0.820 10 10 HCCE O=S(=O)(N1CCOCC1)N1CCN(Cc2cc(Br)ccc2O)CC1 768264461 PNYLGSKOXBWZGU-UHFFFAOYSA-N 420.329 0.849 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@@H]4COCC[C@@H]43)CC2)cc1 1456298219 JOTUQICOABUHHO-RLWBPELLSA-N 415.490 0.916 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1(CO)CCOCC1 1636796844 QPWKPEUZIGPNRT-UHFFFAOYSA-N 411.524 0.510 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(N4CCOCC4)CC3)CC2)cc1 1647752717 ZASPCWAVBMNNGG-JOCHJYFZSA-N 418.582 0.975 10 10 HCCE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)C(C)=O)o1 808503208 HIXFYCRJULUBEK-LLVKDONJSA-N 401.393 0.311 10 10 HCCE CN(C)S(=O)(=O)n1ccnc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 1327571775 BXHBFCHICPHGRG-UHFFFAOYSA-N 411.503 0.928 10 10 HCCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1629381130 TYYVBAGTJDGBBA-PTRWATSXSA-N 423.491 0.864 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCCN4C[C@@H]3CO)CC2)cc1 1654715275 NTHIWNWVUXIBBF-HBMCJLEFSA-N 404.555 0.319 10 10 HCCE CN(CC(=O)N1CCOCC1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195698 KZXNHSOXMLGFPT-UHFFFAOYSA-N 412.437 0.802 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H](C)CF)CC2)cc1 1683684429 WFVFYNDBSPBPBX-AWEZNQCLSA-N 402.492 0.804 10 10 HCCE C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735060 YAKLEUXDYGRWGE-QAPCUYQASA-N 411.524 0.603 10 10 HCCE CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 788311757 ZEMIJUYRLLYKSK-JOCHJYFZSA-N 417.506 0.936 10 10 HCCE CCN1C[C@H](CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1165357718 XBOOITASBLFWPG-IJDCCNJMSA-N 414.506 0.885 10 10 HCCE CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1478786245 LZUFJFRBLXNPNY-CYBMUJFWSA-N 418.466 0.635 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3C(=O)[C@H]4CCCCN4C3=O)CC2)cc1 758189917 DFWVQHRDVYXDFL-IEBWSBKVSA-N 402.495 0.995 10 10 HCCE Cn1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cn1 1355064987 MCYMZEVQYWTGFV-IRXDYDNUSA-N 424.505 0.791 10 10 HCCE C[C@]1(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)N1 1584507673 RBRKRXNVZPENFR-LJQANCHMSA-N 408.524 0.476 10 10 HCCE CCOC(=O)CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O 1646326070 CESOYSTWZMETGN-UHFFFAOYSA-N 403.479 0.838 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)C3CCOCC3)cc2)CC1 1672892943 PQHAMXXJHUBPIX-UHFFFAOYSA-N 424.567 0.831 10 10 HCCE Cn1nccc1[C@@H](O)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684174163 ABLCISLDKNGEOF-SFHVURJKSA-N 400.483 0.655 10 10 HCCE CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CCN2C1=O 752092338 BJBCWGZDSOXJJE-SFHVURJKSA-N 415.494 0.312 10 10 HCCE COc1ccc(N2CCN(C(=O)CONC(=N)[C@@H]3CN(C(C)C)CCO3)CC2)cc1 779652811 QGRCYOZXBCJSNV-IBGZPJMESA-N 419.526 0.951 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccn3)CC2)cc1 1461397297 LLBUWZMMMYGVRQ-UHFFFAOYSA-N 404.492 0.972 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 1687210966 VNAWWSMVVJBFLP-UHFFFAOYSA-N 411.528 0.155 10 10 HCCE CCN(CC)S(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761869797 COERWZUPGCHNBL-UHFFFAOYSA-N 413.456 0.634 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)CC3(C)C)CC2)cc1 1193703109 CBPWMPVTAOVISB-GOSISDBHSA-N 411.568 0.687 10 10 HCCE Cn1cc(C2=NO[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cn1 1585888049 XGIZCIQBOABULO-SFHVURJKSA-N 417.491 0.464 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)CC1 1645592256 UMUDWKQNTRWPOR-UHFFFAOYSA-N 416.503 0.966 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)CCCS(C)(=O)=O)CC2)cc1 740892457 SEVOZNJZPYBAMP-UHFFFAOYSA-N 419.569 0.171 10 10 HCCE COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 797290044 BACCEJMQSNRPDJ-NSHDSACASA-N 410.473 0.832 10 10 HCCE C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C[C@@H](C)[S@]1=O 1138234025 QJWYJRLETKZSCH-AHZSZHTNSA-N 421.562 0.486 10 10 HCCE CNC(=O)NC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1252845146 SUDBTNVKJSIDPA-UHFFFAOYSA-N 423.539 0.524 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nc2ncc(CCO)cn2n1 1291756301 OFULSJVFBDPAHQ-UHFFFAOYSA-N 400.414 0.565 10 10 HCCE CCc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)n[nH]1 1469899828 CEIUFVHWOBWCTN-UHFFFAOYSA-N 421.523 0.863 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C)C[C@@H]3CO)cc2F)C[C@@H](C)O1 1620434611 YZADXXBPBPPIKH-SOLBZPMBSA-N 408.518 0.664 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)cc2)CC1 1638586845 CEPZMHXWIXJIKA-HXUWFJFHSA-N 410.478 0.898 10 10 HCCE CNC(=O)[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 778389271 FXKJVBJGHWNMNV-QJRAZLAKSA-N 402.495 0.787 10 10 HCCE C[C@@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 804260337 GGNORRYGYOHSMG-VQIMIIECSA-N 417.554 0.989 10 10 HCCE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1O 1171722694 AUPNIMJULRBYHR-GFCCVEGCSA-N 412.489 0.951 10 10 HCCE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(C[C@@H](O)CO)c1 1150348717 RSJBWQAWBVELPE-IAGOWNOFSA-N 408.886 0.990 10 10 HCCE COCCN(CCOC)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1300198986 IQQNRVSSSMNVPK-UHFFFAOYSA-N 401.485 0.183 10 10 HCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1464362437 OUKGIYJULWFGCL-DOTOQJQBSA-N 410.540 0.578 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)cc2)CC1 1567592367 TWJVNWSHHKQLTL-UHFFFAOYSA-N 409.454 0.292 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1 1611664715 KAPFMXARTRQYBR-TZMCWYRMSA-N 422.511 0.509 10 10 HCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1626058903 MGPJABVWQOVDJX-UHFFFAOYSA-N 414.434 0.953 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)cc1 1627041569 YRQZEYMJTBWORY-SECOEOQKSA-N 414.462 0.164 10 10 HCCE COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1638007270 KFFGCOHPPOWMSR-CTNGQTDRSA-N 420.554 0.994 10 10 HCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C[C@@H]12 1638918666 YOZNMIJQMPCDJP-OKYOBFRVSA-N 424.567 0.809 10 10 HCCE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 1676353685 SRFLLNIHLHTMFT-CQSZACIVSA-N 423.495 0.946 10 10 HCCE NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018496 SSZALMDXLPOKGE-GFCCVEGCSA-N 418.466 0.621 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032968 OVRCUSKOWYHEOF-HNNXBMFYSA-N 402.451 0.929 10 10 HCCE CC(C)N1C[C@H](C(=O)N2CCCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169846292 WNOJHGMVSQLTTO-CQSZACIVSA-N 405.451 0.735 10 10 HCCE COc1cc(N(C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC 741799286 WQIHMPODCYGIDG-UHFFFAOYSA-N 417.466 0.986 10 10 HCCE NC(=O)C[C@H]1COCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1473558740 YONIIYUQRFYHAG-ZDUSSCGKSA-N 407.426 0.977 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@H]3CCOC3)CC2)cc1 1564415484 HWDAVCRRNTTXCB-HNNXBMFYSA-N 412.512 0.235 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](OC)C(C)C)CC2)cc1 1585654239 VCGLVTDKBNIGTR-SFHVURJKSA-N 413.540 0.934 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)cc1 1682188187 JECLDGFBXDLANB-HRAATJIYSA-N 418.494 0.449 10 10 HCCE CO[C@H]1C=C[C@](CNC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 70885305 GTYKWPJCYMZBFQ-ZTNFWEORSA-N 414.466 0.897 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1136665411 MMYMFRUWCZUFAG-MRXNPFEDSA-N 412.508 0.378 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cn(C(F)(F)CO)nn3)CC2)cc1 1292281580 FHACFYGCAHNIMQ-UHFFFAOYSA-N 410.425 0.380 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ocnc3C)CC2)cc1 1585654116 QMQKVTDZRBWDPN-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccon3)CC2)cc1 1585654404 XDPVJTMHISARIG-UHFFFAOYSA-N 408.480 0.494 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCCF)CC2)cc1 1683684369 UQPCYFRYORKNAF-UHFFFAOYSA-N 402.492 0.806 10 10 HCCE CC(C)(C)OC(=O)NOCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1165916023 PXBRYKSEGDLQCL-UHFFFAOYSA-N 413.496 0.994 10 10 HCCE COC(=O)[C@H](C[C@H]1CCCO1)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1176020112 DXBXVIITFJFUGT-NRSPTQNISA-N 421.538 0.878 10 10 HCCE C[C@]1(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCS(=O)(=O)N1 1528261464 MDHOCMSUZIIVMD-QGZVFWFLSA-N 403.451 0.890 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(C[C@@H]2CCOC2)nn1 1538662163 POFCYABADYOALA-INIZCTEOSA-N 419.507 0.479 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@H]([C@@H](C)O)C3)CC2)cc1 1556995975 PQFYFKCYELEFOC-QUHFKBAASA-N 403.479 0.508 10 10 HCCE NS(=O)(=O)C1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1673472735 XHJPSOYGAQYISS-UHFFFAOYSA-N 404.439 0.422 10 10 HCCE CC[C@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O 14686600 YCGOFCMTIPNCPZ-AJNFFNSKSA-N 402.355 0.896 10 10 HCCE biogenic COC(=O)COc1ccc(N(C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 784564008 LNOJIYCDJVLMHQ-UHFFFAOYSA-N 415.450 0.512 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1471546792 FOAUJWKUYDFYCK-ZWKOTPCHSA-N 406.531 0.695 10 10 HCCE O=C(CN1CCC[C@H]2CCNC(=O)[C@@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1654617050 VDWLITXFPODHQU-OXJNMPFZSA-N 404.486 0.879 10 10 HCCE CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1687155755 VQGGEYVWTPLOHG-QGZVFWFLSA-N 410.540 0.871 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)Cn3nc(C(N)=O)ccc3=O)cc2F)C[C@@H](C)O1 1341813216 BEPNOAURKRBBTM-CHWSQXEVSA-N 417.441 0.411 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1 1458988650 ASRILJUODOBQBE-UHFFFAOYSA-N 416.478 0.977 10 10 HCCE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@]1(O)CCOC1 1583100876 QYRFDHPVRCBWRZ-HXUWFJFHSA-N 401.442 0.710 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](c4ccnn4C)C3)CC2)cc1 1660377780 MDCYTALTSFISFG-DENIHFKCSA-N 415.538 0.985 10 10 HCCE O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]2CCCC[C@@H]2N1 1683731335 OUGJAHWADNQXFB-ROUUACIJSA-N 420.535 0.874 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3cnn4c3S(=O)(=O)N(C)CC4)C2)cc1 1142798073 LWJFIPYOFMOYAO-CQSZACIVSA-N 419.507 0.782 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccnc(S(N)(=O)=O)c3)CC2)cc1 1292283604 XGBUWWNTEJALHS-UHFFFAOYSA-N 419.507 0.290 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)CC2)cc1 1640726799 FXSXXUWSMQUYRB-IKSUFZCESA-N 417.506 0.349 10 10 HCCE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018005 BLGFWBRLTKSXAR-KGLIPLIRSA-N 413.421 0.867 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 1873831325 DSXSYULNGMOXEL-IRXDYDNUSA-N 418.519 0.524 10 10 HCCE O=C(CN1CCO[C@@H](C(=O)C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 801543297 WDZOWOQSCAIMMU-LJQANCHMSA-N 405.470 0.958 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CN3CC(=O)N(C)C3=O)CC2)cc1 1124517144 MMSNVASXBZVCER-UHFFFAOYSA-N 403.483 0.218 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C\[C@H]3CCCO3)CC2)cc1 1130864722 DPVRZCWGMVAGLO-OLHLWXQYSA-N 423.535 0.998 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 1565453341 XSEOQIXQCRBQJP-QZTJIDSGSA-N 406.531 0.695 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC([C@H]4COC(=O)N4)CC3)CC2)cc1 1655760185 AESFGYSYAMYRHZ-PZJWPPBQSA-N 418.538 0.999 10 10 HCCE CC(C)(O)CN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1684169195 JJZBUPXKLITWLN-UHFFFAOYSA-N 417.554 0.986 10 10 HCCE COc1cc(N2CCN(C(=O)NCCc3nnnn3C)CC2)cc(OC)c1OC 759302317 ZKQWYKLQBXJHIO-UHFFFAOYSA-N 405.459 0.310 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3S(N)(=O)=O)cc2)CC1 1154270655 BEQFRLBRAUGCHV-UHFFFAOYSA-N 422.532 0.994 10 10 HCCE O=C(NCCS(=O)(=O)N1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1 1233604133 MKNAVWQFVNVHPS-UHFFFAOYSA-N 410.540 0.873 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CCCS3(=O)=O)cc2)CC1 1312694062 HWJCRELULHXHAY-QGZVFWFLSA-N 408.524 0.765 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)n3cncn3)CC2)cc1 1586837161 VOOPXEWYZNOCLM-HNNXBMFYSA-N 422.511 0.116 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 1639793470 MVQUWTIUIFOZJD-HNNXBMFYSA-N 407.536 0.930 10 10 HCCE NS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1478786018 FWZKKPCGOQFQDN-CYBMUJFWSA-N 418.466 0.764 10 10 HCCE O=C(NCc1ccc(O)c(O)c1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1545639683 YTHUEJDBDWCETB-ZDUSSCGKSA-N 400.840 0.707 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cc2)CC1 1638007592 QGTHUKQYFOAVAR-UHFFFAOYSA-N 414.510 0.664 10 10 HCCE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195850 QQJFCOUQPZEYJR-GJZGRUSLSA-N 419.450 0.413 10 10 HCCE CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684873463 HSCLLBABTKFUGD-GOSISDBHSA-N 409.556 0.662 10 10 HCCE CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803746208 BUCZUQBPUNNYKN-SFHVURJKSA-N 418.538 0.818 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)nn2)O1 1136984158 JIPGOCIMFPSWSE-CQSZACIVSA-N 418.429 0.417 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3nc4ncc(CCO)cn4n3)cc2)C1 1441946600 MKPGOMFILDEFEG-MRXNPFEDSA-N 423.477 0.291 10 10 HCCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1542490232 IFIDIGMKRNWNSM-SJORKVTESA-N 409.508 0.173 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN=S(C)(C)=O)CC2)cc1 1645077224 CSXMBYMWNZAIDM-CMDGGOBGSA-N 408.524 0.744 10 10 HCCE CC(=O)N1CCN(CCNC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)CC1 2296930350 SAJFDIKLMXIWCK-UHFFFAOYSA-N 419.482 0.211 10 10 HCCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NN1CCN(C)CC1 2297471495 LCIBJXREBYOAFS-UHFFFAOYSA-N 401.467 0.987 10 10 HCCE O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(C[C@H](O)CO)c1 1150348718 RSJBWQAWBVELPE-IRXDYDNUSA-N 408.886 0.990 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@]12COCCN1C(=O)OC2 1254433229 RRTJLFQVPATKGB-HXUWFJFHSA-N 404.467 0.886 10 10 HCCE C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(N2CCOCC2)cc1 1356167201 YNNRXOZACKQCSG-XJKSGUPXSA-N 400.439 0.714 10 10 HCCE Nc1nc(C(=O)NCc2cccc(Br)c2O)nc(N2CCOCC2)n1 1635839737 KPMZZXDHOMFEJP-UHFFFAOYSA-N 409.244 0.689 10 10 HCCE Cn1nnnc1C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1654701870 HMDGCZMUJOYHMS-UHFFFAOYSA-N 417.489 0.682 10 10 HCCE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCOc2ccc(N)cc2)COC1 2162587403 SNBRXGVYPUAXCP-UHFFFAOYSA-N 401.485 0.861 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1c(O)cccc1O 1156886335 ZAHDZMBJEFPOKZ-UHFFFAOYSA-N 413.473 0.846 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](CO)CN3CCCC3)CC2)cc1 1556855189 UFYLEIQRFHDCLP-CNZFZVQHSA-N 416.522 0.473 10 10 HCCE CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1564963049 RKNKXPNKRCUEIY-OAHLLOKOSA-N 411.528 0.313 10 10 HCCE CC(=O)C(=O)COC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 808509691 RSJPXFLXHWSVDX-UHFFFAOYSA-N 407.448 0.770 10 10 HCCE COCCN1C(=O)/C(=C/N[C@H](C)c2ccc(-n3cncn3)cc2)C(=O)NC1=S 920979445 NHJYGJGDAKBFPD-KMHUVPDISA-N 400.464 0.692 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)[C@@H]4CCC[C@H]43)CC2)cc1 1617910291 JWJDWVUEOFCRKA-CEWLAPEOSA-N 423.579 0.830 10 10 HCCE CCN1C(=O)[C@H]2CN(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CCN2C1=O 752092331 BJBCWGZDSOXJJE-GOSISDBHSA-N 415.494 0.312 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 756247580 ONDHTVZEDPALJQ-LIXSYLKWSA-N 414.506 0.443 10 10 HCCE COC[C@](C)(CCO)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778434867 WZXUQICXIJDGHD-GEPASTNRSA-N 405.495 0.804 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](N(C)C(=O)N(C)C)C3)CC2)cc1 1460528338 YBUGTFFLGMLUHL-UXHICEINSA-N 419.570 0.866 10 10 HCCE O=C1NCCn2c(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)nnc21 1471203861 IQWFNLMTXIZWEQ-CQSZACIVSA-N 400.439 0.618 10 10 HCCE NC(=O)C1(O)CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1617880849 DVYDVCSGPZBSBL-UHFFFAOYSA-N 407.426 0.713 10 10 HCCE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2c(O)cccc2F)c1 1635367009 VPPCYSYLGZQDKH-UHFFFAOYSA-N 416.452 0.530 10 10 HCCE CN1CCN(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)CC1 2296932637 FDAICASSXUZNBT-UHFFFAOYSA-N 408.256 0.668 10 10 HCCE CO[C@@]1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCS(=O)(=O)C1 1471405005 YYDXKMIGZYWPHL-IEBWSBKVSA-N 412.556 0.858 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1c(O)ccc2ccccc12 1647791151 LUHPCAWWJJUNRL-UHFFFAOYSA-N 407.492 0.996 10 10 HCCE [N-]=[N+]=NCCOCCN(CCOCCN=[N+]=[N-])C(=O)CCOCCOCCON 2049382414 NTRHKQDKMHVNFQ-UHFFFAOYSA-N 418.455 0.782 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 105787395 WGPDBRHLSPKDFM-UHFFFAOYSA-N 412.450 0.398 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)c3nnc(O)n3C)CC2)cc1 1163836034 NXFUQRSUHHSOOZ-QIAWRQBBSA-N 414.466 0.612 10 10 HCCE COC1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CS(=O)(=O)C1 1544727508 FIAOZJXZUGASQJ-UHFFFAOYSA-N 407.536 0.648 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1632355632 AYHCQRAAHGYYEQ-KBPBESRZSA-N 411.476 0.903 10 10 HCCE CNC(=O)NC[C@H]1CN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 1478860978 TZCOCXAZWALQPW-QAPCUYQASA-N 405.499 0.861 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1644085422 AWKCQXBVIUGJPO-JZXOWHBKSA-N 408.518 0.664 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCCn2nncc2C1 1687006170 IWQJAFSCVWORQG-UHFFFAOYSA-N 404.496 0.628 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3OC)CC2)cc1F 1252877426 LWCYHNSUDHFWMP-HOCLYGCPSA-N 401.460 0.478 10 10 HCCE CO[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@](C)(CO)C1 1565044737 RKRDUHGFBUHQKG-IEBWSBKVSA-N 411.524 0.603 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](O)[C@@H](CO)C3)CC2)cc1 1570398485 FYETXWVDNSJCIT-VAQJZUQRSA-N 403.479 0.102 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O 1134885346 BTWALQLMGYEKFP-ROUUACIJSA-N 404.511 0.883 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3cn(C)c(=O)nc3O)CC2)c(OC)c1 1251695505 FYLWRTDAUUZGMX-UHFFFAOYSA-N 403.439 0.535 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3CS(=O)(=O)C3)cc2F)C[C@H](C)O1 1308006175 CENPHZRWCFZXCS-KBPBESRZSA-N 413.515 0.784 10 10 HCCE CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)N(C)C 1628747924 RGOXCBHEIJGNBW-GOSISDBHSA-N 412.556 0.603 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 1638031073 XSEZQYFJFQBKRD-AWEZNQCLSA-N 404.419 0.784 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@H](CO)[C@H]3CO)CC2)cc1 1652340579 WDQJRDDIHZIUMC-QNICDLNXSA-N 417.506 0.492 10 10 HCCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2162554221 XGQHNEWQCBDHJZ-GJZGRUSLSA-N 401.485 0.859 10 10 HCCE CCn1nccc1CN(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 796473861 NPWRJLWESHXMAD-UHFFFAOYSA-N 419.501 0.989 10 10 HCCE O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)N1 1622634993 NQZMHQDDAXJMMR-KGLIPLIRSA-N 415.899 0.039 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 1628857523 BCJLHTVUPLRQJC-GOSISDBHSA-N 403.479 0.893 10 10 HCCE CN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)NC1=S 2297315837 ROPGZSPNWASQKX-UHFFFAOYSA-N 412.471 0.757 10 10 HCCE CN1C(=O)C(=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)c2ccccc21 2314541142 GACOMXQJPNJRKC-JTQLQIEISA-N 405.457 0.953 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3ccnc(S(N)(=O)=O)c3)cc2F)CC1 1443594019 YBEYGXDEBAABRT-UHFFFAOYSA-N 421.498 0.940 10 10 HCCE Cc1c(S(=O)(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c(=O)n(C)c(=O)n1C 1891413916 CJUJWLIZEXDINF-RDJZCZTQSA-N 418.519 0.860 10 10 HCCE COC(=O)[C@H]1CN(C)CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1246304778 WBEYUMLUHQERQG-SFHVURJKSA-N 403.527 0.685 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)NCCCS(N)(=O)=O)cc2F)C[C@@H](C)O1 1564993762 WFIRFMLHDMFIEZ-BETUJISGSA-N 402.492 0.917 10 10 HCCE COC(=O)c1cn(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 1635201550 NMANNEVMIDJNOX-KRWDZBQOSA-N 403.487 0.733 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCNC(=O)CC3)CC2)cc1 1643150100 DYJMOJRALDBMAU-ROJDOSBLSA-N 400.479 0.685 10 10 HCCE CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1767807633 ZFMDJRUYZPVHMZ-CQSZACIVSA-N 407.496 0.658 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN(C[C@H](C)O)CC3)CC2)cc1 806619554 HEQDNBNVLOSTKM-SFHVURJKSA-N 405.543 0.525 10 10 HCCE NC(=O)C[C@@H]1COCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1559917415 BQZQWDBQBDDLFO-CQSZACIVSA-N 407.426 0.977 10 10 HCCE CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCS(=O)(=O)C1 1696251399 LUBDOPJKPDTMOK-GOSISDBHSA-N 410.496 0.706 10 10 HCCE CNS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1313125706 QQQWHYOZKAXBTQ-UHFFFAOYSA-N 402.492 0.525 10 10 HCCE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)cc1F 1617665388 FYMSNPGXXROAFJ-ZFWWWQNUSA-N 415.473 0.794 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)C2)cc1 1638653209 MXGHOMRRCHEBFG-ZDUSSCGKSA-N 420.491 0.507 10 10 HCCE CCNC(=O)N1CC[C@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 761649071 BXUAOPAGMCXNDE-KRWDZBQOSA-N 418.542 0.920 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H](O)CN1c1ccncn1 1147838420 VVTXRHXULCQZSF-VQTJNVASSA-N 411.506 0.941 10 10 HCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1296245991 ISIJZOFTWBXDFZ-UVWXRNBGSA-N 414.505 0.934 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)N(C)C)cc1 1479534250 MLJDKGYEOXEPIU-ROUUACIJSA-N 412.556 0.546 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C(N)=O)c3ccccn3)CC2)cc1 1624833223 YNVCEJJCXOIARH-VFCOFNOGSA-N 423.473 0.638 10 10 HCCE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C 1636797007 VFADXZGTKDIQJS-SOUVJXGZSA-N 408.524 0.728 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1646221507 RGPZMZMPSOACME-MQJTVSLUSA-N 409.502 0.731 10 10 HCCE COCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1230798663 JMZWOPAOLJMLHK-SFHVURJKSA-N 411.524 0.868 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc2c(c1)CCCN2C 1542389897 RMGFWSQYHCAZTK-UHFFFAOYSA-N 410.540 0.519 10 10 HCCE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1554174644 HBIYKEFMQZJWHJ-UHFFFAOYSA-N 411.470 0.933 10 10 HCCE Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cnc21 728505852 RWEZPGMQOCDNPR-UHFFFAOYSA-N 417.447 0.672 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)cc1F 754040356 OVEKWHOFCOMBFJ-UHFFFAOYSA-N 406.501 0.863 10 10 HCCE CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1230799051 LRTDKMQMNJUFMU-OAHLLOKOSA-N 409.512 0.134 10 10 HCCE NC(=O)C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 1307979032 UIXVWNATGJTJLL-CQSZACIVSA-N 407.426 0.977 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CCCNC3=O)CC2)cc1 1542943709 UNKCXOKOOSJPOB-ROJDOSBLSA-N 400.479 0.542 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1587115044 UIYHQQYFDPVDJQ-AWEZNQCLSA-N 423.473 0.958 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](CNC(C)=O)C3)CC2)cc1 735579079 BMPWUTRRHCWKSC-HXUWFJFHSA-N 419.526 0.364 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2CC(=O)NC2=O)NC(=O)OC(C)(C)C)cc1 742751544 VCDAWNBEHOYYJO-HNNXBMFYSA-N 419.482 0.986 10 10 HCCE COCCCNC(=O)[C@@H](C)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761892670 YSHIOKPGDPUGCU-CYBMUJFWSA-N 421.454 0.589 10 10 HCCE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)C2 796523785 VZVAJKAUTMOESB-HTAPYJJXSA-N 417.506 0.855 10 10 HCCE O=C(NCc1cc(O)ccc1O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1153885866 QJPSTSVXMBCURH-CQSZACIVSA-N 400.840 0.707 10 10 HCCE COC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 1254197394 ZXEVPNONFPJEQC-UHFFFAOYSA-N 404.398 0.322 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)cc1 1307994027 KQAUHCNOGJWSHJ-NRSPTQNISA-N 423.579 0.830 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCS(=O)(=O)C[C@@H]3CCO)C2)cc1 1312901311 DIKWEIGFJVMQDZ-WBVHZDCISA-N 411.524 0.713 10 10 HCCE CCC(=O)N1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1451875885 CTZRNOLBICEQQV-HJWRWDBZSA-N 400.479 0.938 10 10 HCCE CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1501389283 NXVMIOLEYDMEJB-ZDUSSCGKSA-N 424.527 0.709 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc2)CC1 1616252181 PPBIZUZAVJMNHK-GOSISDBHSA-N 420.510 0.857 10 10 HCCE CCO[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1628748433 XUXZXCPSFQHOCE-ROUUACIJSA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)[C@H]3CCC(=O)N(C)C3)CC2)cc1 1636802623 UFPRSGVBWFHGCN-ZGKFYVQTSA-N 414.506 0.979 10 10 HCCE Cn1cc([C@@H](CO)NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1685327384 CAPRGLCNKMHREW-GOSISDBHSA-N 400.483 0.655 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1136665410 MMYMFRUWCZUFAG-INIZCTEOSA-N 412.508 0.378 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1456087780 TUZDYLJDZDIWGW-LBPRGKRZSA-N 402.494 0.993 10 10 HCCE CCOCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1747189578 WWPAEPGJLCNTNK-UHFFFAOYSA-N 414.510 0.978 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C=O)c[nH]3)CC2)cc1 1469900177 HRGXNRKXMOXJKX-UHFFFAOYSA-N 420.491 0.718 10 10 HCCE CCOC(=O)C1=C(C)C(C(N)=O)=S=C1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1860749369 ALKQIZUMEVHEAX-UHFFFAOYSA-N 417.443 0.358 10 10 HCCE CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCS(=O)(=O)C1 740889163 XPNVTFHNKHPTRW-INIZCTEOSA-N 413.515 0.645 10 10 HCCE COc1cc(N2CCN(C(=O)[C@H](O)Cc3cnn(C)c3)CC2)cc(OC)c1OC 787270054 SQXAIDZEDPDELS-MRXNPFEDSA-N 404.467 0.698 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)cc2F)C[C@H](C)O1 1141900946 AEFRCYAUJLPFCL-MELADBBJSA-N 419.461 0.247 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCn3cccn3)CC2)cc1 1146356043 XTXYXVYSCYUSEP-UHFFFAOYSA-N 421.523 0.550 10 10 HCCE COC(=O)[C@@]1(O)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1153270599 WXMGEAHWEABYGW-QQUYBBDPSA-N 417.462 0.036 10 10 HCCE NC(=O)CN(CC(N)=O)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1443287398 DPVYMEHDKCBNHB-GHXNOFRVSA-N 424.479 0.216 10 10 HCCE Cn1[nH]c([C@@H]2CCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1=N 1460006386 XPDPIFQGILJYBH-KRWDZBQOSA-N 417.489 0.657 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC(CS(N)(=O)=O)CC3)cc2)CC1 1565273155 OIURDFFXMDRSNN-UHFFFAOYSA-N 409.556 0.649 10 10 HCCE COc1ccc(/C=C2/C(=O)NC(=S)N2C=C2C(=O)NC(=S)NC2=O)cc1OC 198728419 MXBMQANSOWJNSK-YHYXMXQVSA-N 418.456 0.176 10 10 HCCE COC(=O)/C=C\c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 727431936 ZMABLSWGCPFELS-HYXAFXHYSA-N 401.383 0.116 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 756248330 ONDHTVZEDPALJQ-RURPWVQCSA-N 414.506 0.443 10 10 HCCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cc(Br)ccc1O 804740525 ISZRJKPYDKQFCF-SECBINFHSA-N 417.285 0.871 10 10 HCCE COC[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478935509 SWYVWZHTGPNUMQ-HNNXBMFYSA-N 414.528 0.481 10 10 HCCE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1560119755 SFBBCRAKFRZXHQ-UHFFFAOYSA-N 422.441 0.195 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN3CCCC3)CC2)cc1 1628747469 JTOXANCFDPEDHW-UHFFFAOYSA-N 410.540 0.359 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)CCNC3=S)CC2)cc1 1631442848 LGEFVCSAZUVMCR-UHFFFAOYSA-N 419.551 0.430 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 787460887 WXQJTFKQEFMFEU-VOTSOKGWSA-N 421.519 0.451 10 10 HCCE CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 789827708 UWCIKHGUPHZHEU-MUKSBBSRSA-N 413.515 0.940 10 10 HCCE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1254716568 PHWKPKIVEYGQST-GOSISDBHSA-N 423.583 0.909 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)Cn2nnnc2N1C 1455870165 ZOTKAAHAMNFWOC-UHFFFAOYSA-N 410.482 0.415 10 10 HCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684368 KGVIBDMHWXFDAR-HNNXBMFYSA-N 403.451 0.842 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCOCCS(N)(=O)=O)C1 1627058871 UYHNNDKSHKMZEA-UHFFFAOYSA-N 422.551 0.829 10 10 HCCE COCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683684042 JPGUKLCXUXLCCH-UHFFFAOYSA-N 414.528 0.435 10 10 HCCE NC(=O)COc1cccc2c1CCCN2C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1129193314 MOAAFMTZSCQYHV-UHFFFAOYSA-N 416.459 0.328 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H](CO)OC(C)(C)C3)CC2)cc1 1299626932 ICSPTBNYXJWLEP-CSHXORCISA-N 417.506 0.898 10 10 HCCE CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1501182742 FQJVZKOQPMONQJ-CYBMUJFWSA-N 424.527 0.757 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1545632200 FFQNYMOBWCQBFX-WFASDCNBSA-N 421.889 0.318 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1638244301 UPSANQNKDMVVLU-ZDUSSCGKSA-N 406.508 0.977 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCOC[C@H]4C3)cc2)C1 758386749 HMURJODUKFDQGD-PKOBYXMFSA-N 401.511 0.614 10 10 HCCE CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803746207 BUCZUQBPUNNYKN-GOSISDBHSA-N 418.538 0.818 10 10 HCCE COc1ccc(N2CCN(C(=O)C3=CN(C)S(=O)(=O)N=C3C)CC2)c(OC)c1 1557823997 OVYWDEHBQLOLCU-UHFFFAOYSA-N 408.480 0.887 10 10 HCCE COc1ccc(N2CCN(C(=O)C3(S(C)(=O)=O)CCOCC3)CC2)c(OC)c1 1623764920 XMDRFGPGYAXQPX-UHFFFAOYSA-N 412.508 0.946 10 10 HCCE Cc1cc(=O)c(OCC(=O)c2ccc(O)c(O)c2)cn1CCC(=O)N1CCNCC1 1857915464 YNGYRSMZOBJESF-UHFFFAOYSA-N 415.446 0.652 10 10 HCCE Cc1noc(-c2ccn3c(CNC(=O)CN4C(=O)CSC4=S)nnc3c2)n1 238880359 PCFBNCVFYQCUJF-UHFFFAOYSA-N 403.449 0.564 10 10 HCCE C[C@H](C(=O)C(=[N+]=N)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@]1(C)NC(=O)[C@]1(C)[C@@H](C)O 616582059 JMGHGYFLWDFQOS-QTOPZTEFSA-O 419.414 0.799 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[S@@](=O)CC)cc2F)CC1 805007845 RXYNGDOQIPNFJD-NDEPHWFRSA-N 412.531 0.469 10 10 HCCE Cc1cc(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(C)n1-c1ccccc1 1143847070 YGPLSAVNFBTUDI-UHFFFAOYSA-N 407.478 0.994 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCCNC3=O)CC2)cc1 1542943706 UNKCXOKOOSJPOB-FDMDGMSGSA-N 400.479 0.542 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)C1 1565363219 KIGROGOGRZYRND-HNNXBMFYSA-N 422.551 0.964 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2)cc1 1640191220 HTICKLWAFQPETP-ZBTGYSDGSA-N 424.505 0.702 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H](O)C3CCOCC3)cc2)CC1 1676125208 ASJRJIQQGBCXPW-LJQANCHMSA-N 404.511 0.975 10 10 HCCE COc1ccccc1N(CCC(N)=O)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 2059829810 WWIYYYAJBPKDNJ-UHFFFAOYSA-N 404.448 0.401 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)n(C)n3)CC2)cc1 748750319 FIJGEFCNCBXTBW-UHFFFAOYSA-N 400.483 0.614 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nn2)O1 1446566522 LLYDGWWFTXLDRK-LSDHHAIUSA-N 401.423 0.914 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CN(C)CCN1C 1478944636 GILUCKXHZDDEBL-VQIMIIECSA-N 423.583 0.355 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(C)c3-n3cnnc3)cc2)CC1 1567591560 IZVHBEVTAFUYEM-UHFFFAOYSA-N 408.466 0.599 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCS(=O)(=O)C[C@@H]1CCO 1637228454 KTJUFUHJGBMGHH-KRWDZBQOSA-N 411.524 0.339 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]4CCNC(=O)[C@H]43)CC2)cc1 1659922401 WIBNRJVRUHUECY-LMNJBCLMSA-N 402.539 0.779 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H](S(C)(=O)=O)C3)CC2)cc1 799897155 GQQBKOXGOGGENX-GOSISDBHSA-N 410.540 0.646 10 10 HCCE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCNS(C)(=O)=O 1492781221 PUTLWMOEPHRBFB-UHFFFAOYSA-N 422.555 0.999 10 10 HCCE CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1554508622 ZAYHACNWPYBYQQ-CYBMUJFWSA-N 408.484 0.120 10 10 HCCE CN1CCN(c2ccc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)cc2)CC1 1643608899 BDIAPYBOKDZYRP-SFHVURJKSA-N 415.469 0.380 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)C[C@H]3CCCO3)CC2)cc1 1303691255 WCTPSBSUOXJNNX-XGKTYTASSA-N 417.506 0.946 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(Cc4ccno4)CC3)CC2)cc1 1644305373 OTHBRFVABKNJNE-FQEVSTJZSA-N 415.538 0.984 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(N4CCOCC4)CC3)CC2)cc1 1647752718 ZASPCWAVBMNNGG-QFIPXVFZSA-N 418.582 0.975 10 10 HCCE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682987198 ZUVAHAVEGGPEFQ-APWZRJJASA-N 420.510 0.896 10 10 HCCE Cn1ccnc1C(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nccn1C 1167235583 QBSYTNYQDIIRLS-UHFFFAOYSA-N 404.452 0.750 10 10 HCCE CN1CCN(c2ccc(CNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)CC1 1583476798 WWBBNMATZKLHPW-UHFFFAOYSA-N 415.519 0.552 10 10 HCCE COC(=O)C1=CC[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683733825 ARYMWVFBGBVURH-MRXNPFEDSA-N 407.492 0.982 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3C[C@H]4C[C@H]4C3)CC2)cc1 1252762168 ZQTILYPEFAIMMF-IYBDPMFKSA-N 408.524 0.808 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)OC3)N(C)C)cc1 1254440163 ZNMUOMPWLGFSNU-XLIONFOSSA-N 405.499 0.876 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 1531375469 ZRAKIDADFILMRN-UHFFFAOYSA-N 411.462 0.849 10 10 HCCE NC(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1674395811 RPFYOIPVCOSZLP-IBGZPJMESA-N 403.527 0.787 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cc1 735944980 UHPPKHMAWYQZLC-UHFFFAOYSA-N 418.450 0.217 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 758322753 XKZFZIWUYSVQTK-FQEVSTJZSA-N 417.554 0.933 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)Cn3nnn(C4CC4)c3=O)cc2F)C[C@@H](C)O1 809976060 FOXYOKOPAPGVAJ-BETUJISGSA-N 404.446 0.844 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)[C@@H](CCO)C3)cc2F)C[C@@H](C)O1 1460964834 JIYAHMNOASYETA-OGWHTMIXSA-N 423.529 0.978 10 10 HCCE CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O 1478944983 LSBKBEXTIYYXNW-QGZVFWFLSA-N 408.524 0.732 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1nnc2c(=O)[nH]ccn12 1564895357 FZTBXDBLSYVSGF-UHFFFAOYSA-N 419.392 0.532 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1564945318 NKSNRGGWRYHYMI-INIZCTEOSA-N 414.514 0.533 10 10 HCCE C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@@]1=O 1565043631 AFCZIVVKTFQISA-RIDFSIMASA-N 413.565 0.972 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CNC(=O)N3)cc2F)C[C@@H](C)O1 732360329 FSVISWDGQDWSMX-LALPHHSUSA-N 408.430 0.280 10 10 HCCE CCOC(=O)[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCOC1 1301737967 SJROWKBFMBAQQU-KRWDZBQOSA-N 400.453 0.853 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)cc2)CC1 1447713632 QUGUXBOSDSWVIY-LJQANCHMSA-N 408.524 0.443 10 10 HCCE C[C@@]1(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)N1 1526259974 PJRFVGXWCKHMAB-BEFAXECRSA-N 408.524 0.476 10 10 HCCE COC[C@@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1585654091 PYVJIWVDNVDODU-INIZCTEOSA-N 413.540 0.936 10 10 HCCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1640232214 LBGAKMQPYLVSDS-RDTXWAMCSA-N 422.555 0.572 10 10 HCCE CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1723621818 QQUSUQJPZBYMQO-UHFFFAOYSA-N 411.510 0.783 10 10 HCCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2086866058 MYQWQUNUOAHAGW-GFCCVEGCSA-N 406.424 0.378 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C(=O)OC 1256236954 NGIBJDYHHYNNGV-KZNAEPCWSA-N 420.510 0.959 10 10 HCCE CN1CCN(c2ccc(CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cc2)CC1 1536524217 OBELWARATNESAH-UHFFFAOYSA-N 415.519 0.552 10 10 HCCE Cn1nc2c(c1C(=O)NCc1ccc(N3CCOCC3)cc1)CS(=O)(=O)CC2 1542302354 PUUYKJOVACGQSZ-UHFFFAOYSA-N 404.492 0.658 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CN(C)CCN1C 1676125811 LARPFLFKOJKGGY-UZLBHIALSA-N 416.570 0.822 10 10 HCCE COc1cc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1OC 169833322 IQUWYMMQAOBZLB-UHFFFAOYSA-N 406.391 0.989 10 10 HCCE C[C@H]1CN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)O1 726975468 BGKMCPFVPQCGFV-GASCZTMLSA-N 417.553 0.365 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 728748118 UMIHEWXXQIHHRO-DOTOQJQBSA-N 404.467 0.472 10 10 HCCE CSC[C@H](CCO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252843120 GRKUQGJKABNZQV-HNNXBMFYSA-N 401.554 0.835 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cc2)CC1 1462810381 WDGOHNZCKYGWOT-UHFFFAOYSA-N 420.473 0.810 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)cc1 1586836090 MZGWCTBIEYLKOC-GUDVDZBRSA-N 423.535 0.688 10 10 HCCE CO[C@@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCOC1 1674276435 FVCJJAJYPXXWCF-AEFFLSMTSA-N 411.524 0.772 10 10 HCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1141995985 FJHLNVJAJDWDSU-OAHLLOKOSA-N 419.507 0.540 10 10 HCCE COC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CS(=O)(=O)C1 1150353322 DFGFDBDFOHKNFF-AWEZNQCLSA-N 402.900 0.940 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(O)nc(O)n3)CC2)cc1 1163288005 GCTQMAFBVMYBRU-VOTSOKGWSA-N 413.434 0.418 10 10 HCCE CO[C@]1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCS(=O)(=O)C1 1471405006 YYDXKMIGZYWPHL-MJGOQNOKSA-N 412.556 0.858 10 10 HCCE COCCOC(=O)COc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1872682422 ZKTXMAQKQFOVPO-UHFFFAOYSA-N 420.422 0.609 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCN(CC(F)(F)F)C(=O)C3)nc12 796560585 FBVKYICUUZINOR-UHFFFAOYSA-N 401.345 0.818 10 10 HCCE Cn1ncc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1-n1cnnc1 1141996436 UZMHYHUWWXXSPF-HNNXBMFYSA-N 408.466 0.633 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(O)(CN(C)C)CC3)CC2)cc1 1473682729 HKRZEMVJXKFSFT-HXUWFJFHSA-N 406.571 0.567 10 10 HCCE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1cccc(Br)c1O 1623363351 FEZPVCOFBYDHEI-UHFFFAOYSA-N 416.253 0.640 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCc3cccnc3)CC2)cc1 786647118 CVJFXLFTFUIWKC-UHFFFAOYSA-N 411.506 0.687 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H]4COC[C@@H](C3)O4)CC2)cc1 801541996 XBMAIHOOFRXLEW-ARHOITHKSA-N 401.463 0.526 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1252114206 AIRXNRRDQSGBEP-OAHLLOKOSA-N 406.483 0.890 10 10 HCCE O=C1CS(=O)(=O)C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)N1 1359864974 IOYOMJBOYNLDAF-AWEZNQCLSA-N 417.434 0.286 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS1(=O)=O 1479344921 XZRXUMVIJQSRRT-AWEZNQCLSA-N 408.524 0.717 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4n[nH]c(C)n4)CC3)CC2)cc1 1654636976 GHHXNJPYISQGJE-LJQANCHMSA-N 415.542 0.427 10 10 HCCE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1670698435 PEBZOZGWQSDKAT-IRXDYDNUSA-N 408.524 0.635 10 10 HCCE CN(CCNS(C)(=O)=O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1686724343 WVKMUWHSBDFRIQ-UHFFFAOYSA-N 406.455 0.492 10 10 HCCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(C=O)CC4)ncn3)CC2)cc1 1858247964 YTNUBKGLUXLDDA-UHFFFAOYSA-N 410.478 0.726 10 10 HCCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCCN1CCNCC1 2296931382 IGBURRMRNMIFIZ-UHFFFAOYSA-N 422.283 0.411 10 10 HCCE Cn1cc(/C=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(=O)n(C)c1=O 735828676 KCJDBBWKYJIYLV-YVMONPNESA-N 412.490 0.622 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)Cn3nc4ccccn4c3=O)cc2)CC1 1133626286 FBPKSUTXEKQROE-UHFFFAOYSA-N 408.462 0.514 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)C(=O)NC(C)C)CC2)cc1 1557026777 RUPIZDCKWHHQRP-ZNFPLGDCSA-N 402.495 0.929 10 10 HCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1303720374 DFXIAYLBKSLYCJ-KRWDZBQOSA-N 410.540 0.578 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)[C@@H](CCO)C3)cc2F)C[C@@H](C)O1 1460964841 JIYAHMNOASYETA-ZAWLATJESA-N 423.529 0.978 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C(=O)OC 1478958144 WPVWJQSUJSTDNG-KBRIMQKVSA-N 405.451 0.878 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC4(CCNC4=O)CC3)CC2)cc1 1560119969 COPSUYQSHUKNKA-LJQANCHMSA-N 402.539 0.780 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCC(=O)N3CCOCC3)cc2)CC1 1633742640 ZZSWOGSKVHIWFD-UHFFFAOYSA-N 403.483 0.046 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](O)C(F)(F)F)CC2)cc1 778305564 MYAWXJLXKUVMBD-LFAOLKIESA-N 401.385 0.939 10 10 HCCE COc1cc(N2CCN(C(=O)C(=O)NCc3ccn(C)n3)CC2)cc(OC)c1OC 805704530 QYPYBAGZUPCKRK-UHFFFAOYSA-N 417.466 0.411 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)nc12 856552505 CWGRESMXDITOOV-JKSUJKDBSA-N 424.461 0.962 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1nc2ncccn2n1 1230194977 HYTSMFHEABGGOR-UHFFFAOYSA-N 415.479 0.359 10 10 HCCE CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1313063381 BUUGRYWWOICNSD-UHFFFAOYSA-N 410.540 0.871 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3[C@H](CO)CC[C@H]3CO)CC2)cc1 1469497039 HFICDZGDZRISQH-VTFYZGIISA-N 403.479 0.244 10 10 HCCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@]1=O 1636796345 DJXYIVVVHJITFP-QWXGXRTQSA-N 413.565 0.974 10 10 HCCE CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728021995 JSXCDMQOVRIQJK-INIZCTEOSA-N 411.549 0.849 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 744350381 GFYYFYDXANHYRI-QHWILLEASA-N 413.474 0.895 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)[C@@H](C)CO)CC2)cc1 1470730761 XAWWYAVOHUAYQG-HNNXBMFYSA-N 414.528 0.169 10 10 HCCE CN(C)CCN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1=O 1684878768 ZLZIFAJDHVPSMP-UHFFFAOYSA-N 402.543 0.354 10 10 HCCE CN(CC1(O)CCOCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006146 HGNVSMSSCWAHTN-UHFFFAOYSA-N 411.524 0.604 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H](N4CCOCC4)C3)CC2)cc1 1559851608 PVGGYAGRTKUBDA-FCHUYYIVSA-N 418.582 0.975 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)CN1CCO 1685330949 IMRFLXQJZFZPRQ-IAGOWNOFSA-N 417.554 0.985 10 10 HCCE C[C@@H](O)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 1687006105 FEHXQUVWTCBKKP-IAGOWNOFSA-N 424.567 0.518 10 10 HCCE COc1ccc(N2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)c(OC)c1 1534283265 PZTIKFSVPJZSSX-UHFFFAOYSA-N 401.467 0.747 10 10 HCCE O=C1CC[C@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC[C@@H]2N1 1565044994 XQQKUBFIGQMRAQ-WMZOPIPTSA-N 420.535 0.732 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1617941312 WEWJYBYNELIWJA-HNAYVOBHSA-N 422.507 0.674 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)[C@H](C)C3)CC2)cc1 779311575 RTEFPRRKECKPCG-JTHGQSKGSA-N 416.522 0.425 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)C[C@@H]3C)CC2)cc1 1299280035 AIMLFQDJCXDSPC-ZEVQVBBLSA-N 416.522 0.425 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)cc1)c1cn(CC2(O)CCNCC2)nn1 1548405383 KLCSTZLBMJSDTB-UHFFFAOYSA-N 400.483 0.159 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@](CO)(OC)C3)CC2)cc1 1557410098 DBSQCTKOBLMCLP-UVIRAJKCSA-N 417.506 0.900 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)cc1 1564912546 IDBPIGIIWWYNEB-AWEZNQCLSA-N 401.471 0.744 10 10 HCCE C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)S(N)(=O)=O 799886859 FFMQGQQASSBDGM-UPJWGTAASA-N 402.492 0.916 10 10 HCCE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)C(C)=O)c2)CC1 808544306 XCKCPFAAELUUJJ-UHFFFAOYSA-N 416.883 0.981 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](NC(C)=O)C3)CC2)cc1 1469194504 CAUCZKWDLXUGQI-QWPQOLDESA-N 400.479 0.637 10 10 HCCE COC(=O)[C@]1(OC)CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1647802683 UMQKCGMRLGYDDT-RXVVDRJESA-N 407.511 0.442 10 10 HCCE Cc1cc(O)nc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)n1 1652071167 PPJGUQWRVRYVGL-UHFFFAOYSA-N 407.452 0.530 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCN(C2CCC2)C1=O 1687007058 VZTQFGSFJFUFJQ-GOSISDBHSA-N 420.535 0.874 10 10 HCCE N=C1C(=Cc2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2296166868 BNHUKQZSNOYGSJ-UHFFFAOYSA-N 415.431 0.966 10 10 HCCE CCC[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)S(N)(=O)=O 1138103598 BONVPLSGTDTULC-INIZCTEOSA-N 415.512 0.818 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(N(C)C)CC3)CC2)cc1 1146355459 FKXSNGNKMZTBSI-UHFFFAOYSA-N 410.540 0.357 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nnc(O)n1C 1251104816 QEQGNOVNEFUHKW-GFCCVEGCSA-N 401.471 0.783 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@]3(OC)CCS(=O)(=O)C3)CC2)cc1 1442477068 VKQMTWJXBJIDRB-LJQANCHMSA-N 411.524 0.137 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(CO)(CO)C3)CC2)cc1 1470547475 JUBZYIJWGMWDGZ-SREVYHEPSA-N 403.479 0.103 10 10 HCCE CO[C@@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 1534540540 ODLBRJKNRYVBIK-KXBFYZLASA-N 409.508 0.208 10 10 HCCE COC[C@]1(C(=O)OC)CCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1559997459 WTMIXSFATNLYFK-UGKGYDQZSA-N 421.538 0.832 10 10 HCCE CC(C)OC[C@H](CO)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565043892 GWCHOBUKSTVJLG-SFHVURJKSA-N 413.540 0.849 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@@H](O)CC(F)(F)C1 1674271913 QQVPNFCXFNFNOJ-HNNXBMFYSA-N 403.451 0.833 10 10 HCCE CO[C@H]1COCC[C@H]1N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682582790 JHUSTHDSTQPLJD-MSOLQXFVSA-N 411.524 0.867 10 10 HCCE O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(O)cc4O)N[C@@H](C(=O)O)[C@H]3C2=O)c1 106937958 UGVOSROMMQJALH-CAOSSQGBSA-N 412.354 0.699 10 10 HCCE COCCN1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1251105899 XSNOINHSGQPUMK-UHFFFAOYSA-N 403.483 0.346 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCCCN2CCC[C@H]2C(N)=O)N(C)C)cc1 1470799167 VHXVHSIPPARPRJ-OALUTQOASA-N 404.559 0.994 10 10 HCCE CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470905568 PWUPPGYCLJYVKV-KRWDZBQOSA-N 405.499 0.487 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]4OCCNC(=O)[C@H]43)CC2)cc1 1648125187 YRCGRAAGUPLYRF-JBACZVJFSA-N 418.538 0.158 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(CO)(CO)C3)cc2F)C[C@@H](C)O1 1655057459 MJVGMJNDWGUWEY-HZPDHXFCSA-N 409.502 0.732 10 10 HCCE O=S1(=O)CCC(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 1335333098 PSWRNWKHENGINZ-UHFFFAOYSA-N 420.528 0.783 10 10 HCCE CS(=O)(=O)N1CC(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1564625646 SFTFXIFQQCNMOP-UHFFFAOYSA-N 423.539 0.079 10 10 HCCE CS(=O)(=O)c1cccnc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1585893867 CRBPUXRAEQJFTJ-UHFFFAOYSA-N 423.516 0.650 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@]12COCCN1C(=O)COC2 1637227762 BWIKEIXNSGITNN-OAQYLSRUSA-N 418.494 0.075 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCC=CO3)CC2)cc1 1640017054 PLCBOTWSNGBZCN-SFHVURJKSA-N 409.508 0.956 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 762924881 HWDVQAJKQRCKQZ-IIAWOOMASA-N 407.490 0.798 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 1585653906 KDJMZRMHGCOFAX-GUDVDZBRSA-N 421.519 0.607 10 10 HCCE Cn1cc(S(=O)(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c(=O)n(C)c1=O 1891365537 ZZTIMBZIUGWDHW-HOCLYGCPSA-N 404.492 0.551 10 10 HCCE COc1cc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)ncn1 764450259 FHOGAIABXOJWCT-UHFFFAOYSA-N 407.452 0.525 10 10 HCCE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C[C@H](O)C[C@H]1C(N)=O 1196113704 GSGUERZOJGGMJY-JKDFXYPNSA-N 407.426 0.710 10 10 HCCE CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1455865281 GAIWJEISMRVDKV-UHFFFAOYSA-N 417.510 0.037 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCN3C(=O)CCNC3=S)cc2)C1 1464363765 SNUSSYWTVGNTIE-HNNXBMFYSA-N 417.535 0.501 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)cc1 1478859409 DDHUEFOTTPRXNY-HNNXBMFYSA-N 411.524 0.760 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1539302593 VCWSOUWOYYPPSE-INIZCTEOSA-N 400.439 0.495 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@](CO)(OC)C3)CC2)cc1 1557410095 DBSQCTKOBLMCLP-BVGULUMVSA-N 417.506 0.900 10 10 HCCE COc1cccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c1O 1630366243 NCOZBYMEGZXMQN-HZMBPMFUSA-N 400.478 0.806 10 10 HCCE CS(=O)(=O)NC[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682986586 JBMFPXVWAWCVDB-MRXNPFEDSA-N 410.540 0.728 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N(C)C 1751199252 VQFOZRXWBYVMCO-ZDUSSCGKSA-N 424.527 0.709 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCS(=O)(=O)N(C)C)CC2)cc1 811869177 GISGVGASXKWFGM-UHFFFAOYSA-N 413.544 0.008 10 10 HCCE CO[C@@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCS(=O)(=O)C1 1129661624 QIVCTESCGPIQPJ-KRWDZBQOSA-N 404.435 0.621 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@]12COCCN1C(=O)OC2 1253510464 FIAPFJTXEDXEER-HXUWFJFHSA-N 404.467 0.668 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(=O)N=S(C)(C)=O)CC2)cc1 1570546210 NZQUNOVDZAPXSH-CMDGGOBGSA-N 422.507 0.270 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H]3C[C@@H](OC)C3(C)C)CC2)cc1 803746167 AYWVRTPELJPBMT-RTBURBONSA-N 418.538 0.863 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)cc1F 1252877427 LWCYHNSUDHFWMP-ZBFHGGJFSA-N 401.460 0.478 10 10 HCCE CO[C@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS(=O)(=O)C1 1253509783 CITJWVROXDKSHM-IBGZPJMESA-N 411.524 0.651 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3cncc3C)CC2)cc1 1437464454 WKQICKWHMWSSAW-UHFFFAOYSA-N 421.523 0.468 10 10 HCCE CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(OC)cc4)C3)CCN2C1=O 1478955962 AZHALZRWZJWJBF-YOEHRIQHSA-N 401.467 0.952 10 10 HCCE CN(C)CCN1C[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1=O 1558397062 JMHNFZQUIYBSHU-SFHVURJKSA-N 415.538 0.415 10 10 HCCE CN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCN2CCO[C@H]1C2 1687006364 LDRUOLSNODDALF-OALUTQOASA-N 422.551 0.536 10 10 HCCE C[C@@H](Cc1ccc(O)c(O)c1)NCCCCn1cnc2c1c(=O)n(C)c(=O)n2C 33829326 QWRIAOHTPJETEM-ZDUSSCGKSA-N 401.467 0.846 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H](O)CN1c1ccncn1 1147838418 VVTXRHXULCQZSF-PMACEKPBSA-N 411.506 0.941 10 10 HCCE CNS(=O)(=O)CCCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1234259789 RTGGPUFTNGLSNM-UHFFFAOYSA-N 400.501 0.475 10 10 HCCE COc1ccc(N2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1F 1465930450 SIVPRKKQVCHEQZ-UHFFFAOYSA-N 424.454 0.352 10 10 HCCE O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc2cc(O)c(O)cc2s1 1627714170 XACSNVSLWBSWJB-NWDGAFQWSA-N 412.489 0.540 10 10 HCCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@H](C)O)N[C@H]2c1cccc(OC)c1O 253380863 BXVYSHJMVQZRDA-HHPKNFPRSA-N 406.435 0.651 10 10 HCCE COC(=O)[C@@]1(C)C[C@@H](OC)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1644112486 JNRAHKAFDQRAAP-IIBYNOLFSA-N 423.485 0.931 10 10 HCCE CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O 1769365139 WYZYKCDSWLMLIC-UHFFFAOYSA-N 422.511 0.405 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C(C)=O)C[C@H]3C)CC2)cc1 778371378 PYZHBIOZIZCODO-XZVRFQMRSA-N 414.506 0.979 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H](O)CN1c1ccncn1 1141901639 JNAWQZBERHFQJL-QAPCUYQASA-N 401.442 0.708 10 10 HCCE COCCN1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1=O 1251750955 RXEGBINITQDVEI-UHFFFAOYSA-N 412.437 0.802 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)CN3CCCCC(=O)C3=O)CC2)cc1 1349006722 XKWKQCGZBXTNOA-UHFFFAOYSA-N 416.522 0.905 10 10 HCCE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Cc2ccc(O)c(O)c2)CC1 1443849604 PLAVQSQDMPFMFT-UHFFFAOYSA-N 419.503 0.893 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 1475194447 PQSOJSVBCHPAJL-UHFFFAOYSA-N 422.467 0.475 10 10 HCCE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1670698434 PEBZOZGWQSDKAT-IAGOWNOFSA-N 408.524 0.635 10 10 HCCE CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O 1769371080 YDCNWVFMMSNAPB-UHFFFAOYSA-N 405.484 0.570 10 10 HCCE O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768914244 TYENPGXTGGLESX-UHFFFAOYSA-N 421.505 0.920 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCS(=O)(=O)C[C@@H]3CCO)C2)cc1 1312901310 DIKWEIGFJVMQDZ-RDJZCZTQSA-N 411.524 0.713 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CNC(=O)N3)cc2F)C[C@@H](C)O1 732360331 FSVISWDGQDWSMX-ZOWXZIJZSA-N 408.430 0.280 10 10 HCCE CCC[C@@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)S(N)(=O)=O 1440671004 BIQUPCWGLNKWJB-SFHVURJKSA-N 412.556 0.781 10 10 HCCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)NC(=O)Cn1cnnn1 1545509037 XJZIGXZZWHTXNA-JTQLQIEISA-N 411.260 0.695 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1617939800 HSJAZOJHCCDWTA-HZPDHXFCSA-N 422.507 0.938 10 10 HCCE CC(C)(CN1CCOCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1632467772 TZNXWMCOWQOCPL-UHFFFAOYSA-N 409.552 0.896 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(Cc4nn[nH]n4)CC3)CC2)cc1 1644365515 MPFKCEASPKATMJ-LJQANCHMSA-N 415.542 0.646 10 10 HCCE Cc1cc(Cl)cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1O 775709563 HYBTUWYPNSGTDE-MRXNPFEDSA-N 415.943 0.775 10 10 HCCE CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1253512831 ZFXDOSXQWWHROU-INIZCTEOSA-N 410.540 0.871 10 10 HCCE O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1 1454004887 MXSFQBWTODXZKZ-UHFFFAOYSA-N 400.483 0.846 10 10 HCCE CC(C)(C)OC(=O)COCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1528185682 KFWIAXYXQUEIOA-UHFFFAOYSA-N 412.508 0.896 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)n2nnnc2N1C 1544929549 GFUPDBZDMRCZJU-HOCLYGCPSA-N 424.509 0.976 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CNC(CO)(CO)C(F)(F)F)CC2)cc1 1620435676 DRKHWHXLVPWNBZ-HNNXBMFYSA-N 407.433 0.053 10 10 HCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1636058472 DGAMPJMOFYHFNQ-OLZOCXBDSA-N 401.481 0.530 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)[C@@H](C)C3)CC2)cc1 779311577 RTEFPRRKECKPCG-ZEVQVBBLSA-N 416.522 0.425 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@H]3CCCOC3)CC2)cc1 793675439 CUMKNSURSLPHBJ-KRWDZBQOSA-N 404.511 0.476 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)C(F)(F)F)CC2)cc1 1179893921 MFXGCGDTMJUAFH-LQYUOIDQSA-N 401.385 0.939 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC[C@]23COCCN2C(=O)OC3)N(C)C)cc1 1254440161 ZNMUOMPWLGFSNU-FXAWDEMLSA-N 405.499 0.876 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3COCCN3CC(F)F)cc2)CC1 1303720861 LXKKVZIEQFNVFM-KRWDZBQOSA-N 410.465 0.970 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCS(=O)(=O)C[C@H]2CCO)N(C)C)cc1 1479534241 MLJDKGYEOXEPIU-MSOLQXFVSA-N 412.556 0.546 10 10 HCCE CNC(=O)N[C@@H]1CCCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1560141972 IEMWCNIOLGKZNC-IEBWSBKVSA-N 405.543 0.572 10 10 HCCE CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1729310682 JRJXZEOARPJODR-AWEZNQCLSA-N 407.496 0.610 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 742919680 CHDXRCZDFXHPGO-UHFFFAOYSA-N 423.473 0.777 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCN(C(C)(C)C(=O)OC)CC3)nc12 778188355 GOKLKMBFJIEZLS-UHFFFAOYSA-N 405.455 0.681 10 10 HCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 919850588 SOJMAJRJQRWKJH-OAHLLOKOSA-N 410.540 0.722 10 10 HCCE CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312536513 GTMBQQPCOUPQOA-INIZCTEOSA-N 424.523 0.951 10 10 HCCE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1C 1510166171 FGYWIQKJXJQOFL-GFCCVEGCSA-N 420.499 0.407 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1 1585654079 PNVZQEXUHMFEIJ-YJBOKZPZSA-N 411.524 0.688 10 10 HCCE O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271823 OIVCDVXXCFZPND-KDURUIRLSA-N 422.551 0.584 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3CNS(C)(=O)=O)C2)cc1 1683946011 YJLXCKZXKAZLBW-GDBMZVCRSA-N 412.512 0.234 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2192653804 AGEKJIIIHFUEMF-RISCZKNCSA-N 400.453 0.860 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H](CO)C1CCOCC1 1565044618 RAMIGECNQMBFBG-GOSISDBHSA-N 411.524 0.508 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)CC1 1565270955 KBAVUBVXXAAOLE-UHFFFAOYSA-N 414.554 0.544 10 10 HCCE CCON(CC)C(=O)CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1640574237 WOAUZEWJXCIZLJ-KHPPLWFESA-N 418.494 0.816 10 10 HCCE COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1687023236 PKHGYGJYIMWANU-KRWDZBQOSA-N 419.526 0.364 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2F)C[C@@H](C)O1 1170470037 UCLVTWXIRNXYBU-XOUADPBQSA-N 418.469 0.260 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC[C@@H](C)OC)CC2)cc1 1470729308 IWPNWWUQTPHDJG-OAHLLOKOSA-N 414.528 0.481 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnn(C)c3)CC2)cc1 1640016997 MIOYDMUCCVEGBD-UHFFFAOYSA-N 407.496 0.311 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864020434 ZAROEXIFJZRNMW-HNNXBMFYSA-N 401.467 0.766 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 729499187 AHAGPSQRAXHHNB-PZJWPPBQSA-N 417.554 0.980 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H]3CCS(=O)(=O)C3)CC2)cc1 754041466 ASXTYHYKFJUTER-IEBWSBKVSA-N 411.568 0.545 10 10 HCCE NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 766467846 SFLFPSZPFKFZQB-UHFFFAOYSA-N 403.464 0.737 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)N(C)C)cc1 1180179035 KFMLXJCKYGYSST-ZWKOTPCHSA-N 417.485 0.797 10 10 HCCE CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1254716569 PHWKPKIVEYGQST-SFHVURJKSA-N 423.583 0.909 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cc2)CC1 1255508883 HWGUDKBTUSQIJE-UHFFFAOYSA-N 415.416 0.866 10 10 HCCE CONC(=O)C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1308055863 TVGPOFYUHCKLMW-UHFFFAOYSA-N 408.474 0.668 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)C2)cc1 1683946013 YJLXCKZXKAZLBW-HOCLYGCPSA-N 412.512 0.234 10 10 HCCE O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768915413 MNWYENVLYAHFDP-UHFFFAOYSA-N 420.579 0.565 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@H]([C@H](C)O)C3)CC2)cc1 803746289 DORTUIIPAUXILL-ZWKOTPCHSA-N 418.538 0.553 10 10 HCCE NC(=O)CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 1197384007 DJDNOTVJTCUGJS-UHFFFAOYSA-N 408.474 0.245 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)N(C)C)cc1 1313411873 JVNJINRFFCHVBO-SFHVURJKSA-N 404.559 0.946 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCS(=O)(=O)CCO1 1681850221 UAYNRYJJVCWTCM-UHFFFAOYSA-N 405.423 0.673 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)C2)cc1 1531729991 OJMOQEXUTMYRBA-CYBMUJFWSA-N 411.462 0.593 10 10 HCCE O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1587824551 AXQUGUFSUJXFHL-UHFFFAOYSA-N 405.476 0.929 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@@]3(O)CCOC3)CC2)cc1 1640754295 QNWPNACWLIFYBM-IZRJCCQOSA-N 403.479 0.558 10 10 HCCE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865028458 VKXRNWZUDUNNEO-INIZCTEOSA-N 416.434 0.856 10 10 HCCE COc1cc(N2CCN(C(=O)NC[C@H]3COCCN3C)CC2)cc(OC)c1OC 1313155284 XAZZUDQUSNDUDA-INIZCTEOSA-N 408.499 0.875 10 10 HCCE CCN(OC)C(=O)CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452219004 XWSGKIFZPLNNMQ-MDZDMXLPSA-N 404.467 0.426 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)cc2)CC1 1536532135 LEMATVSWPJVFSZ-UHFFFAOYSA-N 418.523 0.199 10 10 HCCE CCS(=O)(=O)N(C)c1ccc(NC(=O)C2=S=c3[nH]c(C)nc(=N)c3=C2C)cc1 1557534324 BYKBZCVAMDEBOV-UHFFFAOYSA-N 419.532 0.963 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCCCS(N)(=O)=O)CC2)c(OC)c1 1564837337 UUEAGSVOLLNOND-UHFFFAOYSA-N 400.501 0.604 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H](CO)[C@@H]1CCOC1 1565044769 SSXMEKDHGYBHTI-SJORKVTESA-N 411.524 0.366 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCn1cc(C(N)=O)c(O)nc1=O 1626723226 WTEWCMITAFQHCY-CYBMUJFWSA-N 401.467 0.560 10 10 HCCE COc1ccc(N2CCN(CCNc3ccc(C(=O)NCCO)nn3)CC2)cc1 768525909 KYAMVJBYUNFRCU-UHFFFAOYSA-N 400.483 0.441 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 1142689958 GBPVWOUZROPBAR-KTKRTIGZSA-N 401.419 0.395 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCc2nnc3n2CCNC3=O)N(C)C)cc1 1565277976 GEVROCSAZJOVFS-HNNXBMFYSA-N 400.487 0.190 10 10 HCCE CN(C)c1ccc(CNC(=O)[C@@H]2CC(F)(F)CN2C2CN(S(C)(=O)=O)C2)cc1 828105524 ULRFHPGKADYXRQ-INIZCTEOSA-N 416.494 0.722 10 10 HCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O 1162278437 HYEDKFLSCDNVEH-IMJJTQAJSA-N 410.492 0.824 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cncn3C)CC2)cc1 1278549258 PGNCOQYQFVRQNU-UHFFFAOYSA-N 407.496 0.311 10 10 HCCE C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312981825 GRYVNJGRSGDGQV-AWEZNQCLSA-N 417.553 0.544 10 10 HCCE CCS(=O)(=O)N(C)CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1353707670 XLOXMEUYZGEIET-UHFFFAOYSA-N 412.556 0.605 10 10 HCCE CO[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@](C)(CO)C1 1565044738 RKRDUHGFBUHQKG-MJGOQNOKSA-N 411.524 0.603 10 10 HCCE CCOC(=O)[C@@]1(C)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 1620516588 SFTWYKQDGUWCED-SIKLNZKXSA-N 421.538 0.832 10 10 HCCE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1675580254 KKQQRHTZPACQEA-IEBWSBKVSA-N 419.526 0.687 10 10 HCCE CN(C)c1nc(O)cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 765230027 YGOAUSSWEJWJGY-UHFFFAOYSA-N 405.480 0.413 10 10 HCCE Cn1cc(/C=C\C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(=O)n(C)c1=O 805259538 IXJVORANEIPBBB-FLELRFNZSA-N 424.457 0.133 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)cc2)CC1 1246381428 FIJFJWMKJPAVEJ-KRWDZBQOSA-N 409.556 0.519 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)CC2)cc1 1300220595 ARFMIWHKMTVULY-CXDPMSTBSA-N 403.504 0.632 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@H](CO)C3)cc2F)C[C@H](C)O1 1647869161 BSLOBDJYMJSVAG-LAQRGFTBSA-N 409.502 0.588 10 10 HCCE CC(=O)N1C[C@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@H]2C1 1683896376 AVUKOHNZDJIKPY-HDICACEKSA-N 420.535 0.541 10 10 HCCE CN(C)C(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1687006668 OJWSMJTUDQQYOL-INIZCTEOSA-N 408.524 0.541 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@@H](O)Cc3cnn(C)c3)CC2)cc1 786706962 HRHSXTXZVKHPEI-FQEVSTJZSA-N 401.511 0.661 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O 1134885347 BTWALQLMGYEKFP-ZWKOTPCHSA-N 404.511 0.883 10 10 HCCE CN1C(=O)[C@H](O)[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H]1c1cnn(C)c1 1142234832 DZRHRWIWOGTWOF-GUDVDZBRSA-N 413.478 0.063 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@]12COCCN1C(=O)COC2 1230200140 HGKIHVLWTXUDFZ-IERDGZPVSA-N 404.511 0.919 10 10 HCCE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CCCNS(C)(=O)=O 1509598426 IZPDFZQZXXAVLL-UHFFFAOYSA-N 424.527 0.698 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccncc3)CC2)cc1 1531316219 IHAHXCPOVKMRFL-UHFFFAOYSA-N 404.492 0.972 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)N(C)C)cc1 1586054639 KZNHPEGGCMOXIW-NIMBFUQJSA-N 414.506 0.634 10 10 HCCE CN=[S@](C)(=O)CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1647768227 XRQXHAJXQRYEHM-BFBXESIISA-N 408.524 0.744 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCS(=O)(=O)C[C@H]3CCO)C2)cc1 1312901309 DIKWEIGFJVMQDZ-NVXWUHKLSA-N 411.524 0.713 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCCCC(=O)C3=O)cc2)C1 1358168497 SFZYUEOEFPEHNR-MRXNPFEDSA-N 400.479 0.586 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](N4CCOC4=O)C3)CC2)cc1 1460357992 WFINNCBEHALLGK-RBUKOAKNSA-N 404.511 0.705 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1=O 1462486920 OIIIBUPTPQODMA-GOSISDBHSA-N 402.495 0.466 10 10 HCCE Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 111102414 WZCYCPNOEGWYOS-UHFFFAOYSA-N 408.462 0.435 10 10 HCCE COCCS(=O)(=O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768910951 JCLXGKSBNHBYBG-UHFFFAOYSA-N 409.552 0.896 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1=O 1136961335 OVFANHVQTHVFED-LJQANCHMSA-N 417.506 0.923 10 10 HCCE CC(C)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303358163 AVQUKNQGMKJGSM-AWEZNQCLSA-N 417.489 0.981 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 1461340681 YJRPZPVAYRLUJS-PSBWJHGTSA-N 401.463 0.752 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)N(C)C)cc1 1463279531 IYXUGTCXNDDGEQ-SFHVURJKSA-N 424.505 0.731 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)CC2)cc1 1617910293 JWJDWVUEOFCRKA-SESVDKBCSA-N 423.579 0.830 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCSC[C@@H]1CCO 1683896931 QPYLPGPYJLMNPO-KRWDZBQOSA-N 413.565 0.931 10 10 HCCE Cn1cc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)cn1 804739712 POAGMDZOWXVHCG-UHFFFAOYSA-N 403.258 0.483 10 10 HCCE COC1(OC)CCOC[C@@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1560113702 QNYNZJASAZQCED-SFHVURJKSA-N 411.474 0.646 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CN(C)CCN1C 1676125808 LARPFLFKOJKGGY-JXFKEZNVSA-N 416.570 0.822 10 10 HCCE CCn1ccnc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1146355989 VIGLMFLLYPWTHX-UHFFFAOYSA-N 421.523 0.793 10 10 HCCE CCN(OC)C(=O)CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1452219003 XWSGKIFZPLNNMQ-KTKRTIGZSA-N 404.467 0.426 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCCNC3=O)CC2)cc1 1542943707 UNKCXOKOOSJPOB-HLRDLLSLSA-N 400.479 0.542 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1 1654677892 AKGZMUGODAZOAV-UHFFFAOYSA-N 404.511 0.855 10 10 HCCE CCOC(=O)N1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](CO)C1 1682987200 ZUVAHAVEGGPEFQ-QFBILLFUSA-N 420.510 0.896 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCCN3C(=O)NC(C)(C)C3=O)cc2)CC1 1684878373 PFFJSRAHQHCLBI-UHFFFAOYSA-N 416.526 0.958 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)N(C)C)cc1 1685686382 MCWPYBWNEBTJMF-QZTJIDSGSA-N 412.556 0.810 10 10 HCCE NS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 770767197 RKLYAPBPZXQWNU-IBGZPJMESA-N 421.567 0.791 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2)cc1 1640191221 HTICKLWAFQPETP-ZNFPLGDCSA-N 424.505 0.702 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)NC3CC3)cc2)CC1 1685244276 NFZWKTLAVNTXIY-UHFFFAOYSA-N 423.539 0.269 10 10 HCCE COC(=O)[C@]1(O)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1153270598 WXMGEAHWEABYGW-NJRZHNRPSA-N 417.462 0.036 10 10 HCCE Cn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(=O)c2cnn(C)c21 1291872486 WMWSDGULBLFKBM-OAHLLOKOSA-N 422.489 0.904 10 10 HCCE COc1cc(N2CCN(C(=O)[C@]3(F)CCS(=O)(=O)C3)CC2)cc(OC)c1OC 1538076539 NDTCJZBBLNHOJJ-SFHVURJKSA-N 416.471 0.888 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccn(C)n3)CC2)cc1 1585654006 NAWNRGFRKADHIG-UHFFFAOYSA-N 421.523 0.239 10 10 HCCE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc2cc(O)c(O)cc2s1 1627714169 XACSNVSLWBSWJB-NEPJUHHUSA-N 412.489 0.540 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C=O)[nH]3)CC2)cc1 1632291061 BKZBYODJEPXNJG-UHFFFAOYSA-N 420.491 0.718 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)cc1 1674326899 NEUVHTAXPATDKH-QRWLVFNGSA-N 404.467 0.201 10 10 HCCE CO[C@@H]1C=C[C@](CNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 238836271 GTYKWPJCYMZBFQ-QSFXBCCZSA-N 414.466 0.897 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1nnnn1CC1CC1 1312564156 DYPIRMAEGCDMIJ-UHFFFAOYSA-N 419.511 0.317 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C(=O)C2CC2)C1 1312981397 AWUFTOHXLBCLNL-UHFFFAOYSA-N 406.508 0.643 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCN(C(N)=O)C3)CC2)cc1 1627061886 RCNJULNBUMIBST-MWWKQMNYSA-N 415.494 0.417 10 10 HCCE Cn1ncnc1C1(O)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1635996738 LCZRDWOQKIXHSO-UHFFFAOYSA-N 408.409 0.343 10 10 HCCE O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2cc(O)c(O)cc2s1 1293902312 CWEAYYGIEARPKQ-CYBMUJFWSA-N 405.476 0.975 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 1442465525 DEYPXWIMYRCATK-UHFFFAOYSA-N 408.466 0.822 10 10 HCCE COc1ccc(N2CCN(C(=O)CSCC(=O)N3CCOCC3)CC2)c(OC)c1 1557824025 PESDNWMNNWFLMF-UHFFFAOYSA-N 423.535 0.944 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CNC3(C(N)=O)CCOCC3)cc2F)C[C@H](C)O1 1643744916 WAYSSNMILVLWBF-GJZGRUSLSA-N 422.501 0.680 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 1687006107 FEHXQUVWTCBKKP-SJORKVTESA-N 424.567 0.518 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)NCCO)CC3)cc2)CC1 1687441200 DODIHUDORNRVPZ-UHFFFAOYSA-N 403.527 0.469 10 10 HCCE O=C1c2ccc(OS(=O)(=O)O)cc2C(=O)c2ccc(OS(=O)(=O)O)cc21 31708396 LWKXZSDLHZQILR-UHFFFAOYSA-N 400.342 0.825 10 10 HCCE Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728917994 QKIYSWGBUQODOP-UHFFFAOYSA-N 404.492 0.746 10 10 HCCE COc1ccc(N2CCN(C(=O)Cc3noc(CN4CC(=O)NC4=O)n3)CC2)cc1 771055989 JTZJMPAXIABTLT-UHFFFAOYSA-N 414.422 0.021 10 10 HCCE O=C(CCN1CCCS1(=O)=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1436624519 PDMFRPPSEXWCTC-UHFFFAOYSA-N 403.451 0.843 10 10 HCCE O=C(CN1CC[C@@H](Cn2ccnn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 1460400656 GVBOVQQXRQTSQD-QGZVFWFLSA-N 402.474 0.892 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3cn(C(F)(F)CO)nn3)CC2)cc1 1540533935 MTISUKAEYQDFRN-UHFFFAOYSA-N 424.452 0.770 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)cc1 1620560446 UMERAHZBKGJKLP-NSHGMRRFSA-N 423.579 0.545 10 10 HCCE COC(=O)c1ccn(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n1 1627050439 NRMWXOVRBZXQTB-UHFFFAOYSA-N 401.467 0.617 10 10 HCCE Cn1nc(O)c2c1CN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CC2 1674276913 WBLHKRKBGGHJDF-UHFFFAOYSA-N 419.507 0.628 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 1683782541 PWQVKTLXDYAVCD-HNNXBMFYSA-N 411.528 0.408 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CN(C2CC2)C(=O)O1 1686893383 OVTSJUVYTREDLQ-KRWDZBQOSA-N 422.507 0.704 10 10 HCCE O=[N+]([O-])c1cc(Cl)cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 768264359 MGWGBUMEPJURFE-UHFFFAOYSA-N 420.875 0.648 10 10 HCCE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1166995840 GGAVWPLSRHXPIK-ZWNOBZJWSA-N 414.436 0.331 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)N(C)C)cc1 1456930957 JBNGJPJSEGFMAF-KRWDZBQOSA-N 421.523 0.340 10 10 HCCE COC(=O)[C@]1(N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)CCOC1 1460462571 MFGMFXHOACUFDW-NRFANRHFSA-N 404.511 0.319 10 10 HCCE O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565043689 CEWCENWJPGOVFQ-SJORKVTESA-N 406.508 0.484 10 10 HCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1636058471 DGAMPJMOFYHFNQ-CHWSQXEVSA-N 401.481 0.530 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864018761 CEIKCWRVHMZGHX-OAHLLOKOSA-N 415.450 0.341 10 10 HCCE [N-]=[N+]=NCCOCCN(CCOCCN=[N+]=[N-])C(=O)CCOCCOCCN 2049382481 UQPKQRMYUFEQBT-UHFFFAOYSA-N 402.456 0.851 10 10 HCCE O=C1CN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CCN1 1303116937 WGZVEIQGFDLIJB-UHFFFAOYSA-N 421.552 0.976 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(S(N)(=O)=O)cnc1C 1627014349 WRJLWAWABVRYOC-UHFFFAOYSA-N 407.448 0.949 10 10 HCCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1644753496 ASEAPCGFBCNHFP-ZBFHGGJFSA-N 410.423 0.677 10 10 HCCE O=C(NCCS(=O)(=O)NC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1681846170 ASJYIFGOYKAFJV-UHFFFAOYSA-N 418.466 0.682 10 10 HCCE CCN(CC)c1ccc(CN(C)C(=O)CCn2cc(C(N)=O)c(O)nc2=O)cc1 1135733233 ZCMIBCPPXFEKLJ-UHFFFAOYSA-N 401.467 0.943 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)cc1 1637837200 PBYYSVWDCLKCFG-OFTJQPPSSA-N 400.479 0.670 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCS(N)(=O)=O)cc2F)C[C@H](C)O1 1648221674 BELRQXBTSRLRJZ-KBPBESRZSA-N 416.519 0.276 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2358560509 VBUMMMHXIFLRQY-KFWWJZLASA-N 401.485 0.029 10 10 HCCE Cc1nnc(CN(C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1C 748845237 BZZICGHUSNLWRL-UHFFFAOYSA-N 404.490 0.972 10 10 HCCE CCc1cc(CNC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n[nH]1 803749454 GZLDLJPDIZFJGU-UHFFFAOYSA-N 414.510 0.535 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@@H]3CCCO3)CC2)cc1 1130865083 JDOWKSCJSXULDV-SFHVURJKSA-N 411.524 0.832 10 10 HCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1312990334 LZAJTDJKILPPBS-ZWKOTPCHSA-N 411.524 0.507 10 10 HCCE CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1OC 1478472169 MTYYYNSYDIFCGM-KZNAEPCWSA-N 411.524 0.913 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H]3CCCNC3=O)CC2)cc1 1542943708 UNKCXOKOOSJPOB-QWGSZXSUSA-N 400.479 0.542 10 10 HCCE Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccc(Br)cn1 1565575403 TZLOCBITTVDTHU-UHFFFAOYSA-N 408.256 0.664 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCN(Cc4nccn4C)CC3)CC2)cc1 730099195 FSSUOWZRJHAGMT-UHFFFAOYSA-N 412.538 0.895 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)CC2)cc1 787329380 DAWRKXJOSHXUBB-GIUOSPMZSA-N 402.539 0.764 10 10 HCCE NS(=O)(=O)CCOCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1251734997 PYDHKGARBAJFFD-HNNXBMFYSA-N 401.485 0.388 10 10 HCCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1264452583 VBFZTZRODUEQJP-KRWDZBQOSA-N 405.476 0.788 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CN3CCCCC(=O)C3=O)cc2)CC1 1537838672 DLMQUWMCVZECCM-UHFFFAOYSA-N 400.479 0.586 10 10 HCCE O=C1CC[C@H](N2Cc3c(NC(=O)c4cc(O)c(O)c(O)c4)cccc3C2=O)C(=O)N1 1865876325 CZRMZWFRCXYXFG-ZDUSSCGKSA-N 411.370 0.817 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@]3(CCO)CCOC3)CC2)cc1 778349370 CIDXPFNNXHVHDO-ICTHTSFCSA-N 417.506 0.805 10 10 HCCE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C[C@@H](C)O1 1136206585 LCAIZNGMCIEHMU-OKILXGFUSA-N 413.496 0.139 10 10 HCCE Cc1nc2n(n1)CCN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1312982428 JVJICMASEDCSAL-UHFFFAOYSA-N 404.496 0.547 10 10 HCCE O=C(NCc1ccc(O)c(O)c1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1545639682 YTHUEJDBDWCETB-CYBMUJFWSA-N 400.840 0.707 10 10 HCCE NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)c1 1636231077 PNUPSXKKYSBAAK-ZDUSSCGKSA-N 401.444 0.935 10 10 HCCE CN=[S@@](C)(=O)CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1647768228 XRQXHAJXQRYEHM-DBZYTVJNSA-N 408.524 0.744 10 10 HCCE CCOC(=O)N1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1682582918 NRLVHNGIOLIFJW-UHFFFAOYSA-N 424.523 0.905 10 10 HCCE Cn1ncc2c(=O)n(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cnc21 917833985 FSISWRSYBGWEMK-HNNXBMFYSA-N 423.477 0.148 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(OCCO)CC1 1687005857 AWIPLHJWRMWYED-UHFFFAOYSA-N 411.524 0.604 10 10 HCCE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006104 FEHXQUVWTCBKKP-DLBZAZTESA-N 424.567 0.518 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1299698893 LUALSUZIFKFUJZ-CYBMUJFWSA-N 424.479 0.384 10 10 HCCE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1312990331 LZAJTDJKILPPBS-MSOLQXFVSA-N 411.524 0.507 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)N(C)C)cc1 1313166002 DKTWMWIFFHAANQ-NQIIRXRSSA-N 419.526 0.282 10 10 HCCE CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1501182743 FQJVZKOQPMONQJ-ZDUSSCGKSA-N 424.527 0.757 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 1558395611 AWTUMTOXDKMZKG-QGZVFWFLSA-N 400.483 0.681 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CN(c4ccncn4)C3)CC2)cc1 1587769597 LRQPQLUKSCIHKR-VOTSOKGWSA-N 422.489 0.695 10 10 HCCE CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1620117153 SZQHAENXSSZFIZ-AWEZNQCLSA-N 424.527 0.771 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](O)[C@H]3CCCO3)CC2)cc1 1640489853 YAMDEQOAQJFCBM-VXOKQSJXSA-N 403.479 0.556 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC([C@@H](F)C(N)=O)CC3)CC2)cc1 1654520329 FJIMTLKVKVASRQ-AZUAARDMSA-N 408.518 0.714 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)[C@@H](C)C3)CC2)cc1 779311574 RTEFPRRKECKPCG-DVBCCOPCSA-N 416.522 0.425 10 10 HCCE CC(=O)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 808495055 HDDSEPCFIXYKET-KRWDZBQOSA-N 413.448 0.852 10 10 HCCE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(O)c(O)c1 1150488298 OQOSUOSIMFCPRO-BONVTDFDSA-N 400.478 0.546 10 10 HCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1464362439 OUKGIYJULWFGCL-NVXWUHKLSA-N 410.540 0.578 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCN3CCNC3=S)cc2)CC1 1565363965 CNPYQPNQFFXDHA-UHFFFAOYSA-N 404.540 0.378 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1 1585883867 JQKMJURGRAWWIN-IAGOWNOFSA-N 411.506 0.453 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cccc(N3CCOCC3)n2)c1 775922206 RYVTUOMOAVGVOL-UHFFFAOYSA-N 406.464 0.925 10 10 HCCE NC(=O)C1(O)CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1150110976 HYSRQAICHUBURD-GHXNOFRVSA-N 409.464 0.476 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1C 1510166173 FGYWIQKJXJQOFL-LBPRGKRZSA-N 420.499 0.407 10 10 HCCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1584507746 SNALQIJJVYMCRJ-GOSISDBHSA-N 422.551 0.819 10 10 HCCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010452 TUZCUULXPONMCD-KRWDZBQOSA-N 423.429 0.790 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 1167761925 CSACTGDNYBFBLL-UHFFFAOYSA-N 416.503 0.762 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC(=O)NCC34COC4)cc2F)C[C@H](C)O1 1560120883 KHTLFAXQHTUDQO-GJZGRUSLSA-N 420.485 0.256 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCc3nnc(O)n3C3CC3)CC2)cc1 1254508594 HMTGLCNRYLRPBL-UHFFFAOYSA-N 415.498 0.949 10 10 HCCE CO[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 1534540539 ODLBRJKNRYVBIK-HNAYVOBHSA-N 409.508 0.208 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)cc1 1559368428 RLUNMNIKELKRTN-JOCHJYFZSA-N 423.473 0.935 10 10 HCCE O=C(CCN1C(=O)CCNC1=S)NCc1cc(F)c(N2CCOCC2)c(F)c1 1570168258 XSTXAOSRFHBBLO-UHFFFAOYSA-N 412.462 0.915 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)c3nnc(O)n3C)CC2)cc1 1163836035 NXFUQRSUHHSOOZ-VFNNOXKTSA-N 414.466 0.612 10 10 HCCE CC(C)Cn1[nH]c(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1=O 1437549490 OAYGWZULBMCESZ-UHFFFAOYSA-N 420.535 0.926 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)C1=O 1534283843 YPWQZWIHRSIAQK-INIZCTEOSA-N 419.478 0.764 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NN3C(=O)[C@H](C)N(C)C3=O)CC2)cc1 1629880355 HXZQLQOCTKKGRD-VFNNOXKTSA-N 415.450 0.214 10 10 HCCE CN(C)c1ccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1F 762273428 SVWLCPKFUAMUDK-UHFFFAOYSA-N 407.490 0.578 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCCCS3(=O)=O)cc2)CC1 1138229033 RPUSAVVVOUVYNS-UHFFFAOYSA-N 408.524 0.397 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3C[C@H](C(=O)OC)C3)CC2)cc1 1633751820 LADYSSILLKKLJY-QNQPZSPESA-N 401.463 0.968 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(Cc4nn[nH]n4)CC3)CC2)cc1 1644365514 MPFKCEASPKATMJ-IBGZPJMESA-N 415.542 0.646 10 10 HCCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2162554223 XGQHNEWQCBDHJZ-LSDHHAIUSA-N 401.485 0.859 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN(C4CC4)C(=O)C3)CC2)cc1 748622629 FTWKVZHFQGYLIW-UHFFFAOYSA-N 401.511 0.833 10 10 HCCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 786994734 BOWYAYCQLGSMGT-KGLIPLIRSA-N 424.473 0.918 10 10 HCCE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 803662530 CRBZELZOSPPDGJ-UHFFFAOYSA-N 408.474 0.604 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)Cc3cnccn3)CC2)cc1 803746403 CCHPHTCWKCIEKF-UHFFFAOYSA-N 412.494 0.382 10 10 HCCE CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1471565630 UEZYFYAWIAMQLJ-UHFFFAOYSA-N 412.556 0.399 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H](O)CN1c1ccncn1 1566023388 SQDMWCSBZBPRIO-VQIMIIECSA-N 415.469 0.833 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(CS(C)(=O)=O)COC3)cc2)CC1 1638587974 VOWCYCWQSYTOEA-UHFFFAOYSA-N 409.508 0.033 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CN2CC(=O)NC2=O)NC(=O)OC(C)(C)C)cc1 742751553 VCDAWNBEHOYYJO-OAHLLOKOSA-N 419.482 0.986 10 10 HCCE CCNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768724152 GTUVNYIMQLVATH-UHFFFAOYSA-N 423.583 0.957 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](S(C)(=O)=O)C3)CC2)cc1 799897158 GQQBKOXGOGGENX-SFHVURJKSA-N 410.540 0.646 10 10 HCCE Cn1c(=O)c2c(ncn2CC(=O)NCc2cc(Br)ccc2O)n(C)c1=O 804738361 NLLVIQKVALVWGI-UHFFFAOYSA-N 422.239 0.218 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cn(C(F)(F)CO)nn1 1299099293 JMIVFXOVDRHXOD-UHFFFAOYSA-N 403.336 0.865 10 10 HCCE COc1ccc(N2CCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1 302833108 LMSAEEUVXNVMSZ-UHFFFAOYSA-N 412.494 0.655 10 10 HCCE COc1ccc(O)c([C@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1 1150543595 QNULFCIXYFBOJU-LBPRGKRZSA-N 401.485 0.412 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](N2CCCC2=O)C1 1687007130 YDJYHURZOTZMJE-SFHVURJKSA-N 420.535 0.828 10 10 HCCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1ccc(O)c(O)c1 1865026495 OJLRYAUBKOXRPU-MRXNPFEDSA-N 400.435 0.910 10 10 HCCE Cc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ncc1C(N)=O 1461460535 KDDZCAIUDQWBLK-UHFFFAOYSA-N 402.476 0.654 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN2CCOC[C@H]2C1 1674270995 FPSDKRZERNPQKZ-GOSISDBHSA-N 408.524 0.147 10 10 HCCE CSC[C@](C)(O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683730382 DXAHDFZMQZBZLM-QGZVFWFLSA-N 401.554 0.835 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(C(=O)C(OC)OC)CC3)C2)cc1 1686855877 ALXDWNAINFWCQM-MRXNPFEDSA-N 420.510 0.994 10 10 HCCE COC(=O)c1ccc2c(n1)CCCN2C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1279155079 FSLRCNFKTTXZCW-UHFFFAOYSA-N 402.432 0.645 10 10 HCCE Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc3cccnc3c2O)cn1C 1570531846 QPCHYLFBYYTUIT-UHFFFAOYSA-N 403.464 0.967 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N(C)C)cc1 1616858626 PEQKVFPIZPSGKV-SFHVURJKSA-N 417.535 0.969 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCO[C@@H]3CCOC3)CC2)cc1 1639080490 GWEDLSZFSAROQX-OVKVCFKUSA-N 403.479 0.822 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](O)C[C@@]3(C)CO)cc2F)C[C@@H](C)O1 1655124519 MZFYFLVWLWMGHN-QJLMEOIESA-N 409.502 0.873 10 10 HCCE [N-]=[N+]=NCCN(CC(=O)O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2086865090 JDVFHIWEHDXFJE-GFCCVEGCSA-N 400.351 0.289 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@H](CO)C3)CC2)cc1 774176254 BQRTUERFFYCSMT-QGZVFWFLSA-N 404.511 0.164 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@H]3CCCCO3)CC2)cc1 793782254 FITCTRHMVRXSPV-IBGZPJMESA-N 404.511 0.619 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCc2nncn2CC1 1278765014 CVOSOYMYAMQJOQ-MRXNPFEDSA-N 403.508 0.782 10 10 HCCE C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565043632 AFCZIVVKTFQISA-HMPCPRATSA-N 413.565 0.972 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COCCN1CC(F)F 1624658429 FWBFKFSFTUFSDI-STQMWFEESA-N 402.394 0.654 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)cc2)CC1 1625198357 FKEOCTQZNJAGTQ-VQTJNVASSA-N 424.505 0.401 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 762924888 HWDVQAJKQRCKQZ-LZWOXQAQSA-N 407.490 0.798 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(S(N)(=O)=O)cn1 798337258 HOQMUCZYZVIPSP-UHFFFAOYSA-N 413.839 0.903 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)Cn3nnn(C4CC4)c3=O)cc2F)C[C@@H](C)O1 809976061 FOXYOKOPAPGVAJ-CHWSQXEVSA-N 404.446 0.844 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)C2)cc1 1129993217 LKRVUIHAGZVJHV-CJNGLKHVSA-N 400.439 0.651 10 10 HCCE Cn1cnc(CCCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1312921155 JACRPEBAYGDCNI-UHFFFAOYSA-N 406.512 0.482 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-n4cnnn4)cn3)cc2)C1 1358168347 QGCPKABVPVODFP-HNNXBMFYSA-N 406.450 0.689 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)N(C)C)cc1 1471546765 FNFASPYFJVOCJO-JAXLGGSGSA-N 419.570 0.880 10 10 HCCE CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1508378569 SFNIDJHCJJOENK-ZDUSSCGKSA-N 424.527 0.757 10 10 HCCE COc1cc(N2C(=O)C(=CNCCN(C)C)C(=O)NC2=S)cc(OC)c1OC 2296936450 SXDBZYYBNNSEKN-UHFFFAOYSA-N 408.480 0.495 10 10 HCCE COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 797290037 BACCEJMQSNRPDJ-LLVKDONJSA-N 410.473 0.832 10 10 HCCE O=C(C[C@@H]1CCCS1(=O)=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1469958157 VXEGLTYPFAJGLB-INIZCTEOSA-N 400.522 0.505 10 10 HCCE CC[C@@H](O)Cn1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1624529146 NYSOXRXKNOGTRK-GOSISDBHSA-N 416.526 1.000 10 10 HCCE CCc1nc[nH]c1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1628747709 NQFVTOGZHZSJKT-UHFFFAOYSA-N 421.523 0.863 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCNC(=O)CC3)CC2)cc1 1643150098 DYJMOJRALDBMAU-HLRDLLSLSA-N 400.479 0.685 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C(=O)C4CC4)C3)CC2)cc1 1299536113 SXSTZZVIAUDFMY-HJWRWDBZSA-N 412.490 0.938 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC4(CCNC4=O)CC3)CC2)cc1 1560119968 COPSUYQSHUKNKA-IBGZPJMESA-N 402.539 0.780 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1584438293 BWKCXQCKYPWFSR-AWEZNQCLSA-N 423.473 0.897 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)cc2)CC1 1625198358 FKEOCTQZNJAGTQ-WOJBJXKFSA-N 424.505 0.401 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)[C@H](S(C)(=O)=O)C1 2192659810 NZWYDUHJBQAZOY-DGCLKSJQSA-N 400.453 0.860 10 10 HCCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNCCN3CCOCC3)C2=O)c1 2296548796 AARPKDZRYWGKSA-UHFFFAOYSA-N 404.423 0.092 10 10 HCCE CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 750817658 SCUOTEZSTVQANR-UHFFFAOYSA-N 401.460 0.429 10 10 HCCE O=C(CN1CCN2C(=O)OCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 764437136 JNKPPEKMNDMONW-MRXNPFEDSA-N 406.458 0.805 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[C@@H](C)C1 803301765 YGJCUCOKJQWSMY-HOTGVXAUSA-N 402.495 0.780 10 10 HCCE COC(=O)[C@@H]1CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 1195757818 OMLAUOKUGWHOQG-QRFRQXIXSA-N 407.511 0.440 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCc2nncn2CC1 1278765013 CVOSOYMYAMQJOQ-INIZCTEOSA-N 403.508 0.782 10 10 HCCE CCC[C@@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1300445482 XGWKFSUTLSDZSH-LJQANCHMSA-N 413.540 0.814 10 10 HCCE Cn1[nH]c([C@H]2CCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1=N 1460006419 XPDPIFQGILJYBH-QGZVFWFLSA-N 417.489 0.657 10 10 HCCE O=C(CN1CCC2(CCNC2=O)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1460728243 VLQUQOXJYVLHFI-UHFFFAOYSA-N 404.486 0.881 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1528924834 STVIZVNSYQRABC-AWEZNQCLSA-N 412.494 0.556 10 10 HCCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)c1 735073142 GZVJTNMPFKJGFV-SFHVURJKSA-N 411.524 0.551 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC(n4cnnc4O)CC3)CC2)cc1 1307740342 FVJGDYMIKZMRLH-LJQANCHMSA-N 416.526 0.812 10 10 HCCE COC(=O)c1cn(CCNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 1470145617 HPMYKRVEYFNQKN-CQSZACIVSA-N 402.455 0.899 10 10 HCCE CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1625271106 KBIXDSWDHPNZBM-ZBFHGGJFSA-N 407.540 0.795 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)[C@H](CO)C3)cc2F)C[C@@H](C)O1 1646221508 RGPZMZMPSOACME-UOSKARGWSA-N 409.502 0.731 10 10 HCCE CCN1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 2294581490 KHHBGZHENGXACM-UHFFFAOYSA-N 410.430 0.982 10 10 HCCE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(C)C1=O)N(C)CC3)OCO2 2297470882 DVAHYNACRKHJMN-LBPRGKRZSA-N 418.475 0.300 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 729499190 AHAGPSQRAXHHNB-TZIWHRDSSA-N 417.554 0.980 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nc4ncc(CCO)cn4n3)cc2)CC1 1632951026 ZMMHGIVYHQNZPT-UHFFFAOYSA-N 423.477 0.258 10 10 HCCE Cc1cc(N2CC[C@@H](OC(=O)c3cc(NS(C)(=O)=O)ccc3O)C2=O)n(C)n1 744854820 NIUVDVINHDCZPU-CQSZACIVSA-N 408.436 0.768 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@H]3CCOC3)CC2)cc1 1278549323 RQOUTDFXWSZOLZ-MRXNPFEDSA-N 411.524 0.690 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2)C1 1534541092 UFNNSLMBVGZKQL-DLBZAZTESA-N 412.494 0.946 10 10 HCCE CCOCCS(=O)(=O)NCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1556946439 JKQFSDFFXYPDSP-UHFFFAOYSA-N 421.466 0.374 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1638244300 UPSANQNKDMVVLU-CYBMUJFWSA-N 406.508 0.977 10 10 HCCE COC(=O)CCN1CC[C@@H](N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1=O 1658172408 OKCVIDKJIZWFJK-MRXNPFEDSA-N 421.494 0.998 10 10 HCCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N(CCO)CCOCCO 1681850274 VDQILGQNNGYKBN-UHFFFAOYSA-N 403.426 0.314 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)N(C)C)cc1 1313166000 DKTWMWIFFHAANQ-GHTZIAJQSA-N 419.526 0.282 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCSc1nccs1 1499201826 QTDHFTUFRODWQR-GFCCVEGCSA-N 421.552 0.626 10 10 HCCE COc1cccc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1O 1630366012 ILHWRYVQYASINT-HNNXBMFYSA-N 403.410 0.759 10 10 HCCE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195849 QQJFCOUQPZEYJR-CABCVRRESA-N 419.450 0.413 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1696699484 DCZJIZHRPVMTHE-AWEZNQCLSA-N 422.511 0.463 10 10 HCCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1F 806033629 KJOYLQBMTSDBRS-CQSZACIVSA-N 401.508 0.962 10 10 HCCE COC[C@@H](C(N)=O)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 815136727 CMEQTEVNSSTQEP-DEYYWGMASA-N 410.490 0.488 10 10 HCCE Cn1ncc2c(=O)n(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cnc21 919968527 CWJBTEKOVYLXFM-UHFFFAOYSA-N 410.478 0.655 10 10 HCCE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)O1 1646250869 LWTHDPPFEFOCRQ-YSVLISHTSA-N 414.480 0.799 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@H]2c1ccc(O)c(O)c1 1865026322 MATCQULKWJJRPE-INIZCTEOSA-N 415.450 0.651 10 10 HCCE O=C(CCN1C(=O)c2ccccc2C1=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169838976 FWWQPHSTEIELHI-UHFFFAOYSA-N 413.386 0.336 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCCc3ccco3)CC2)cc1 775104645 HZCVXLVHSDXSPG-UHFFFAOYSA-N 400.479 0.885 10 10 HCCE COc1ccc(O)c([C@@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1 1150543594 QNULFCIXYFBOJU-GFCCVEGCSA-N 401.485 0.412 10 10 HCCE COCC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1255510796 YFLWQJWCFDZLCF-UHFFFAOYSA-N 417.510 0.389 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCOC4(CCN(C)CC4)C3)CC2)cc1 1559938835 YTTMKQMGUWWYQU-NRFANRHFSA-N 418.582 0.975 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCCO[C@@H](C)C3)CC2)cc1 803746387 BSOFXWGKPGVSJI-KRWDZBQOSA-N 404.511 0.571 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3COCCN3CC(F)F)cc2)CC1 1303720862 LXKKVZIEQFNVFM-QGZVFWFLSA-N 410.465 0.970 10 10 HCCE CO[C@@]1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS(=O)(=O)C1 1535156052 DGBCWQHXFOYNLT-IBGZPJMESA-N 409.508 0.208 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 1639793471 MVQUWTIUIFOZJD-OAHLLOKOSA-N 407.536 0.930 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CO)(CO)C3)cc2F)C[C@@H](C)O1 1655057460 MJVGMJNDWGUWEY-IYBDPMFKSA-N 409.502 0.732 10 10 HCCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1684366847 SIHRBFAPOWWNGC-GRDNDAEWSA-N 407.515 0.721 10 10 HCCE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1685608846 IHYLUWNBRSCASR-INIZCTEOSA-N 412.498 0.928 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1763134629 CFCRNRHAVQWHNC-AWEZNQCLSA-N 415.473 0.241 10 10 HCCE CC(=O)N1CCN(CCNC=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)CC1 2296091644 YVGFNJPJCJYIEE-UHFFFAOYSA-N 415.519 0.380 10 10 HCCE COc1cc(/C=C2/SC(=S)N(CC(=O)NCC(=O)O)C2=O)cc(OC)c1O 210680184 PPPUCJHWVHUKIY-VZUCSPMQSA-N 412.445 0.811 10 10 HCCE CN(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 811977239 NDOZINORBQMXRN-UHFFFAOYSA-N 423.583 0.909 10 10 HCCE C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 918642989 HINOOOGBDIHSLC-APWZRJJASA-N 423.560 0.992 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@]3(O)CCCOC3)CC2)cc1 1164440944 RPBLSWHJOGXHPP-KOIKXXGWSA-N 417.506 0.948 10 10 HCCE COc1cc(N2CCN(C(=O)CSc3n[nH]c(O)n3)CC2)cc(OC)c1OC 1556129464 FMWXIGQMQPYZOG-UHFFFAOYSA-N 409.468 0.977 10 10 HCCE CCn1nccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616824556 QJSUMPZFUOOZLM-UHFFFAOYSA-N 421.523 0.793 10 10 HCCE O=C1NC2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)CO1 1683896997 SDSJBMORJNOKNH-UHFFFAOYSA-N 422.507 0.705 10 10 HCCE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785438285 BOMHBSUKRRCWAV-SFHVURJKSA-N 403.527 0.428 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1197113629 AKYFXMDVHMUSLC-QHHYFVSCSA-N 423.485 0.664 10 10 HCCE CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1682647207 XQQZHWWWGDGKQR-HNNXBMFYSA-N 411.528 0.502 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCCCS3(=O)=O)cc2)C1 1534541366 XLGDHYZLTSSKFZ-MRXNPFEDSA-N 408.524 0.430 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCn3c(O)nnc3O)cc2)CC1 1625199101 PJULHFORGXXQKI-UHFFFAOYSA-N 402.455 0.454 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCS1(=O)=O 1684176612 XZRXUMVIJQSRRT-CQSZACIVSA-N 408.524 0.717 10 10 HCCE C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 1687632821 UUGSSWSXQMSVQD-SJORKVTESA-N 417.554 0.985 10 10 HCCE CS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)cc1 169838977 BCJXPZIDPHEGIB-UHFFFAOYSA-N 409.420 0.335 10 10 HCCE COCCOc1cc(N)c2c(c1N)C(=O)c1c(N)c(OCCOC)cc(N)c1C2=O 206678372 QNDIGCPIHQFWOA-UHFFFAOYSA-N 416.434 0.841 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)CC2)cc1F 753730394 IHTZFQWVSMJQMT-DAXSKMNVSA-N 402.426 0.594 10 10 HCCE COC(=O)/C=C\c1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 771176376 MNWSFXJXBVYICT-RYWCDNDXSA-N 411.436 0.521 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2)cc1F 1251113157 XXOCLSAGMWNYIL-UHFFFAOYSA-N 401.402 0.597 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](CO)[C@@H](CO)C3)cc2F)C[C@H](C)O1 1460664780 BSLOBDJYMJSVAG-UOVPBQLFSA-N 409.502 0.588 10 10 HCCE CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1501389282 NXVMIOLEYDMEJB-CYBMUJFWSA-N 424.527 0.709 10 10 HCCE NC(=O)C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 1560043689 HRCCDRPIAQGKSC-ZDUSSCGKSA-N 407.426 0.977 10 10 HCCE C[C@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735061 YAKLEUXDYGRWGE-YJBOKZPZSA-N 411.524 0.603 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2233978619 VBUMMMHXIFLRQY-KKUMJFAQSA-N 401.485 0.029 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(CCO)CCOCC3)CC2)cc1 765653111 XXJDJHMMJNLYEK-SREVYHEPSA-N 417.506 0.948 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nnc(O)n1C 1251104818 QEQGNOVNEFUHKW-LBPRGKRZSA-N 401.471 0.783 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)N(C)C)cc1 1304767363 DWZRZVKPXWZZEQ-KRWDZBQOSA-N 420.539 0.616 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)C1CCS(=O)(=O)CC1 1318183531 ZVUJOYBTENFMME-UHFFFAOYSA-N 402.538 0.862 10 10 HCCE CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1OC 1478472168 MTYYYNSYDIFCGM-KURKYZTESA-N 411.524 0.913 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](N2CCOC2=O)C1 1687006637 NREVARQYYBRVNE-QGZVFWFLSA-N 422.507 0.658 10 10 HCCE NCCNc1ccc(NCCNC(=O)/C=C\C(=O)O)c2c1C(=O)c1cnccc1C2=O 1848438025 KPTJKQOGDUDEMO-ARJAWSKDSA-N 423.429 0.397 10 10 HCCE CO[C@H]1C=C[C@@](CNC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)(OC)O1 70885288 GTYKWPJCYMZBFQ-XFQXTVEOSA-N 414.466 0.897 10 10 HCCE CCNC(=O)N1CC[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 761649074 BXUAOPAGMCXNDE-QGZVFWFLSA-N 418.542 0.920 10 10 HCCE Cn1nnc2c1CC[C@@H](NC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1478945142 NHXKOWKLDXNZAY-OAHLLOKOSA-N 418.523 0.407 10 10 HCCE Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1N/C=C1/C(=O)N(C)C(=O)N=C1O 20151856 QGHVAZHUWRXPOB-VQHVLOKHSA-N 423.389 0.333 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H]3C[C@H](OC)C3(C)C)CC2)cc1 803746165 AYWVRTPELJPBMT-OALUTQOASA-N 418.538 0.863 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3[nH]c(C)nc3C)CC2)cc1 1452972750 LCRCUPUWWRHIMN-UHFFFAOYSA-N 421.523 0.917 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[S@](=O)CC)cc2F)CC1 805007844 RXYNGDOQIPNFJD-MUUNZHRXSA-N 412.531 0.469 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1292281114 DBSLEYUDWVBGML-KRWDZBQOSA-N 402.499 0.610 10 10 HCCE CO[C@@]1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCS(=O)(=O)C1 1479383001 XDRGTHVDPYDYEN-LJQANCHMSA-N 411.524 0.868 10 10 HCCE O=C1CN(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1 1544433723 CICYLGHZTLRTMA-UHFFFAOYSA-N 400.401 0.590 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H](O)c3ccnn3C)CC2)cc1 1597406130 YXEGXWOZUVFMSV-IHHMQQGQSA-N 413.478 0.483 10 10 HCCE Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 754488986 MFMJCGSCGZXFST-MRXNPFEDSA-N 412.494 0.994 10 10 HCCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N(C)Cc1nnc2n1CCC2 1297323331 SWAVCCGGGHASPR-IBGZPJMESA-N 401.467 0.977 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3nc(N)nc(N(C)C)n3)cc2F)CC1 1585403873 NIZVYXUNKRFIPP-UHFFFAOYSA-N 402.478 0.731 10 10 HCCE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(O)cc2O)c1 1630302041 PZYRXOTWWKEVQU-UHFFFAOYSA-N 409.464 0.606 10 10 HCCE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(O)c1O 1633515699 MJUGSQAMLFQXAK-UHFFFAOYSA-N 413.473 0.846 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(c4cnn(C)c4)=NO3)CC2)cc1 1136454112 KUAAAYGFDKYTLC-FQEVSTJZSA-N 412.494 0.860 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@H](CO)[C@@H](CCO)C3)cc2)CC1 1251104837 QIYMYPFICOKMBG-ZWKOTPCHSA-N 404.511 0.521 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 1254716191 IHCBROLCWCVXDL-GOSISDBHSA-N 409.556 0.614 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCCCN2CCC[C@H]2C(N)=O)N(C)C)cc1 1470799168 VHXVHSIPPARPRJ-RBUKOAKNSA-N 404.559 0.994 10 10 HCCE COC[C@@]1(CO)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1569205630 NYHSUSZUJOGVAS-DORXLWPQSA-N 417.506 0.757 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)C1 1585883865 JQKMJURGRAWWIN-CALCHBBNSA-N 411.506 0.453 10 10 HCCE C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O 1641200380 ISIYGDGRMGXBOG-OAQYLSRUSA-N 400.479 0.984 10 10 HCCE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)C(C)=O)CC2)o1 808503328 LZMDBJWFHXWASH-UHFFFAOYSA-N 415.420 0.558 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 1156622476 RMAFUUNMMUOETR-LJQANCHMSA-N 416.503 0.810 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 1510677025 ZLZWMHGFVPOAHY-RDJZCZTQSA-N 411.510 0.964 10 10 HCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 818099910 LWNWIYNMAOAHRI-FLIBITNWSA-N 414.462 0.365 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(NC4COC4)C3)CC2)cc1 1179456943 CNMIHAGIZWLRFM-SREVYHEPSA-N 400.479 0.099 10 10 HCCE CS(=O)(=O)N1CC(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 1636425054 PZYAZOCXWPOIAO-UHFFFAOYSA-N 406.552 0.726 10 10 HCCE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1747754607 TYPKPNZOYPXODE-FQEVSTJZSA-N 401.467 0.894 10 10 HCCE COc1ccc(N2CCCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)cc1 1687345601 ZIYBBADEUAYDFQ-NRFANRHFSA-N 418.494 0.545 10 10 HCCE CCOCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1766427735 YPVBQLVOJBKYMM-UHFFFAOYSA-N 418.473 0.775 10 10 HCCE CO[C@@H]1C=C[C@@](CNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)(OC)O1 70883388 WPGCXXGJJJZUAF-AZUAARDMSA-N 414.466 0.897 10 10 HCCE O=C(CN1CCN(c2cccnn2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 725805748 KPAFQEMXPFGZNR-UHFFFAOYSA-N 414.485 0.891 10 10 HCCE CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 740891081 GERRUDANBRXSKP-HNNXBMFYSA-N 417.553 0.242 10 10 HCCE C[C@](Cn1cccn1)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(N)=O 1176860636 NWQQTSRXGSQGEF-HXUWFJFHSA-N 418.473 0.009 10 10 HCCE CS(=O)(=O)N1CC[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1478786246 LZUFJFRBLXNPNY-ZDUSSCGKSA-N 418.466 0.635 10 10 HCCE CO[C@]1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCS(=O)(=O)C1 1479382997 XDRGTHVDPYDYEN-IBGZPJMESA-N 411.524 0.868 10 10 HCCE C[C@H](NCC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 1616864462 BFLYKOUMKOATDN-INIZCTEOSA-N 424.567 0.714 10 10 HCCE C[C@@H](NCC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 1616864465 BFLYKOUMKOATDN-MRXNPFEDSA-N 424.567 0.714 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3C(=O)OCC3(C)C)CC2)cc1 1623585464 HACVHQXXYZSFRX-OLHLWXQYSA-N 401.463 0.968 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cnn(C)c3)C2)cc1 1142797645 FJSFGMUSYNGZIS-CQSZACIVSA-N 407.496 0.350 10 10 HCCE COC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CS(=O)(=O)C1 1354658767 RGMFTDSYPSDNKO-STQMWFEESA-N 400.472 0.869 10 10 HCCE COc1ccc(N2CCC(NC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 1520520998 ZXKLMGUESNIBCV-MRXNPFEDSA-N 400.439 0.794 10 10 HCCE CO[C@]1(CNC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)CCS(=O)(=O)C1 1598273252 PLHNDSVHIRWJDI-KRWDZBQOSA-N 412.489 0.325 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CCNC(=O)O4)C3)CC2)cc1 1648100945 IEYPREUBRGJKAA-VOTSOKGWSA-N 414.462 0.611 10 10 HCCE CN1CCOC[C@]1(CO)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683018155 GQFOEZOXDWWIIG-LJQANCHMSA-N 414.453 0.294 10 10 HCCE O=C1NC(=O)N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@H]12 1686724180 MNJGAFFKCMVHPL-CQSZACIVSA-N 409.393 0.247 10 10 HCCE C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(N(C)C)cc1 773610563 DTIYEERHYOVNPS-KRWDZBQOSA-N 403.527 1.000 10 10 HCCE CCn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 1130660257 XMIADPWSUZBNIO-UHFFFAOYSA-N 421.523 0.793 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H](N4CCOCC4)C3)CC2)cc1 1559851611 PVGGYAGRTKUBDA-YADHBBJMSA-N 418.582 0.975 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H](CO)[C@@H](CCO)C3)CC2)cc1 1640726802 FXSXXUWSMQUYRB-ZGKJDNBHSA-N 417.506 0.349 10 10 HCCE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683018007 BLGFWBRLTKSXAR-ZIAGYGMSSA-N 413.421 0.867 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN([C@H]2CCOC2)CC1 1683734941 SOJAKRKVVGYBKG-IBGZPJMESA-N 422.551 0.538 10 10 HCCE COc1ccc(N2CCN(c3nnc(C)n3CC(=O)N3CCOCC3)CC2)cc1F 1300247367 MAEMKYJEEFCOKI-UHFFFAOYSA-N 418.473 0.920 10 10 HCCE C[C@H]1CO[C@H](C)CN1CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312985143 YHGIEEOOTSLJAF-DLBZAZTESA-N 424.567 0.830 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC2(CC1)C[C@@H](O)CNC2=O 1479030103 DACIEYCKIIYYCC-LJQANCHMSA-N 416.522 0.820 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H](O)c3ccnn3C)CC2)cc1 1597406133 YXEGXWOZUVFMSV-QULHZPMSSA-N 413.478 0.483 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1nc2ncc(CCO)cn2n1 1634347257 GRUBJAXBFANRPS-UHFFFAOYSA-N 410.478 0.798 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCS(N)(=O)=O)cc2F)C[C@@H](C)O1 1648221675 BELRQXBTSRLRJZ-OKILXGFUSA-N 416.519 0.276 10 10 HCCE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)c1O 248227712 JTWUKKWBRBMKGC-LBWCCRNLSA-N 406.435 0.649 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H]3C[C@H](OC)C3(C)C)CC2)cc1 803746164 AYWVRTPELJPBMT-MOPGFXCFSA-N 418.538 0.863 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2)cc1 1312993412 APMYRYZTUZSLJH-RDJZCZTQSA-N 402.495 0.947 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1569162408 MWIGTRSWGSOSAG-MRXNPFEDSA-N 402.494 0.805 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](Cn4ccnn4)C3)CC2)cc1 1643788812 HOFFKNUUUJVSQI-QUCCMNQESA-N 400.527 0.792 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4n[nH]c(C)n4)CC3)CC2)cc1 1654636975 GHHXNJPYISQGJE-IBGZPJMESA-N 415.542 0.427 10 10 HCCE CNS(=O)(=O)CCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1729739082 SVRHCTIYEFSFQR-UHFFFAOYSA-N 408.528 0.609 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3(CCO)CCOCC3)CC2)cc1 765653112 XXJDJHMMJNLYEK-VOTSOKGWSA-N 417.506 0.948 10 10 HCCE CS(=O)(=O)NC1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1312833448 IMTIUCVEWDROFA-UHFFFAOYSA-N 404.439 0.244 10 10 HCCE CC(C)(C)N1C[C@H](C(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169824294 VSCHCZZDTBAIJG-CYBMUJFWSA-N 405.451 0.735 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(C(N)=O)co3)CC2)cc1 779240210 OWCBKPRNQMKAGY-SREVYHEPSA-N 412.446 0.908 10 10 HCCE C[C@@H](NC(=O)CCn1cc(C(N)=O)c(O)nc1=O)c1ccc(N2CCOCC2)cc1 1136442708 AJPKBRFPVGFGST-CYBMUJFWSA-N 415.450 0.152 10 10 HCCE O=S1(=O)CCC(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 1253478481 HGKFLINGZXYREJ-UHFFFAOYSA-N 416.565 0.892 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)cc1F 1595483001 QYMFDXRXGWZXJO-CYBMUJFWSA-N 400.476 0.398 10 10 HCCE CN(C)c1nc(N)nc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 1630718777 LTILCPZDZCKXCK-UHFFFAOYSA-N 410.526 0.982 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COCCC3(OC)OC)CC2)cc1 1655483367 TYTMFICVDFVCGN-UYAOXDASSA-N 409.527 0.546 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1C[C@H](O)CC(F)(F)C1 1674271914 QQVPNFCXFNFNOJ-OAHLLOKOSA-N 403.451 0.833 10 10 HCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 777826388 MGEKVXNZJMOVIQ-QPJJXVBHSA-N 421.837 0.658 10 10 HCCE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 804259884 ANWHHPAOLMLUBP-LJQANCHMSA-N 417.554 0.770 10 10 HCCE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CCn1cncn1 1360656304 QANDGNAFRKHLMK-ZDUSSCGKSA-N 420.499 0.522 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)Cc3c(O)ncnc3O)CC2)cc1 1624527727 DGKBLTXTLLYRGN-UHFFFAOYSA-N 401.467 0.767 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1638244032 PZRVDERNPAQJFE-CYBMUJFWSA-N 422.507 0.779 10 10 HCCE CCCN1C[C@@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1682136222 GXTTWDAVSUAMJD-QGZVFWFLSA-N 422.551 0.979 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1nc(C2CC2)n[nH]1 1682704697 UBHKCMXUSPICII-UHFFFAOYSA-N 404.496 0.916 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCO[C@H](C(C)C)C3)CC2)cc1 803746446 GFJGPSVUTUGLQA-FQEVSTJZSA-N 418.538 0.817 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN(CCO)C(C)(C)C3)CC2)cc1 806619429 FKGCLMMDEGOWGG-UHFFFAOYSA-N 419.570 0.915 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC2)cc1 1542431826 IVXSJNDVNKZOTJ-SFHVURJKSA-N 412.556 0.507 10 10 HCCE CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751238121 XPUYGFQOQPCIPW-UHFFFAOYSA-N 404.554 0.749 10 10 HCCE CCOC(=O)[C@H]1CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 754043736 VFHRDKBBUZXCOL-AZUAARDMSA-N 407.511 0.442 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 1469804187 DFMFWILUPRYOHH-GOSISDBHSA-N 418.538 0.771 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)cc2F)CC1 1543071065 XGQJPNILJNWWNJ-UHFFFAOYSA-N 413.461 0.905 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(N4CCOCC4)ncn3)cc2)CC1 1638489170 TXQQERRMMXZSTD-UHFFFAOYSA-N 424.505 0.945 10 10 HCCE CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683195440 AIODZQLBXABRJM-ZDUSSCGKSA-N 418.466 0.635 10 10 HCCE CCN1C[C@@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 1683825765 BLHISCRZISYVNE-MRXNPFEDSA-N 408.524 0.589 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCCn3ccc(O)nc3=O)CC2)c(OC)c1 1685606343 BEPIPNLYGZDWML-UHFFFAOYSA-N 417.466 0.888 10 10 HCCE Cc1cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 774181174 TVNNAELFWVWVBB-MRXNPFEDSA-N 413.478 0.960 10 10 HCCE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCc1cccc(O)c1O 1153792969 WTOPLDGUJLVTSX-KFWWJZLASA-N 410.492 0.824 10 10 HCCE COC(=O)CCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1538445787 WHANIZNHJCMUNZ-UHFFFAOYSA-N 413.496 0.216 10 10 HCCE CN(C)C(=O)NCCN(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1687632807 ULRXUZBOJLZURG-UHFFFAOYSA-N 404.515 0.801 10 10 HCCE COc1cc2c(c(OC)c1)N(CC(=O)NC1CCN(S(C)(=O)=O)CC1)CCC2 1171189936 OZUWFNJXXJUEDI-UHFFFAOYSA-N 411.524 0.997 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1557640693 SLUDXFBFVJOZFV-LJQANCHMSA-N 402.495 0.391 10 10 HCCE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c1 732064266 FBEGZHSAKNDOKJ-ZZXKWVIFSA-N 400.460 0.952 10 10 HCCE COCCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)c(OC)c1 742186399 JTRSCTSPTPVFRC-RMKNXTFCSA-N 403.435 0.794 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)cc1 1127277197 WHMULWHJOCJOKC-UHFFFAOYSA-N 405.480 0.488 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccnc(N4CCOCC4)n3)cc2)CC1 1584506733 HONJYVDTFYLIJP-UHFFFAOYSA-N 424.505 0.945 10 10 HCCE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc2cc(O)c(O)cc2s1 1627714172 XACSNVSLWBSWJB-VXGBXAGGSA-N 412.489 0.540 10 10 HCCE CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1313212963 WILOPFLFOPZIJJ-UHFFFAOYSA-N 404.559 0.600 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1478944446 BVQCCDJJNRESEG-NXHRZFHOSA-N 409.508 0.525 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H](CO)[C@H]1CCCOC1 1478945774 XSYNPEFFUDVPNI-FUHWJXTLSA-N 411.524 0.508 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)cc2)CC1 1479185274 FCKZOOHOHDVRRV-SFHVURJKSA-N 410.540 0.393 10 10 HCCE CCCONC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1564982660 YBIHOIRXNBYSIE-UHFFFAOYSA-N 400.501 0.788 10 10 HCCE CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1683195439 AIODZQLBXABRJM-CYBMUJFWSA-N 418.466 0.635 10 10 HCCE CC1(C)OC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)C(=O)O1 10213489 RXFUKMLNMSSBCA-INIZCTEOSA-N 416.430 0.683 10 10 HCCE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C[C@H](O)C[C@H]1C(N)=O 1196114694 ZCNUZEHAZCBRIA-BVRBVLIYSA-N 407.426 0.710 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1299698899 LUALSUZIFKFUJZ-ZDUSSCGKSA-N 424.479 0.384 10 10 HCCE CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 1312954300 PATPPKLFMXTKKG-QGZVFWFLSA-N 410.540 0.728 10 10 HCCE Cn1cc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cn1 1355064986 MCYMZEVQYWTGFV-IAGOWNOFSA-N 424.505 0.791 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1463779217 QCOULSNFFVMADE-UHFFFAOYSA-N 419.507 0.626 10 10 HCCE COC(=O)[C@@H]1CSCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620586242 PMHCJPGOYSXHOO-KRWDZBQOSA-N 411.499 0.869 10 10 HCCE CN=[S@](C)(=O)CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1647768230 XRQXHAJXQRYEHM-PWXGBJBYSA-N 408.524 0.744 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@](C)(CO)[C@@](C)(CO)C3)CC2)cc1 1648006598 OVCZAPBAIHIQKG-ILWGZMRPSA-N 407.555 0.491 10 10 HCCE Cn1nccc1[C@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674276451 GDJKHJIDFKZBPR-QGZVFWFLSA-N 407.496 0.188 10 10 HCCE CN1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2S1(=O)=O 1142235001 HXAQTNZUDOIOAT-UHFFFAOYSA-N 405.480 0.284 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(N)ccn3)CC2)cc1 1165639503 VFAURHZQLPRGOK-UHFFFAOYSA-N 419.507 0.554 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C34CCN(CC3)C4)CC2)cc1 1469900526 NATGKELTYVVBOL-UHFFFAOYSA-N 422.551 0.359 10 10 HCCE COCCCS(=O)(=O)NCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1629484055 GRYXINYARDYYLI-UHFFFAOYSA-N 421.466 0.374 10 10 HCCE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 746093038 ASNIBTWKWMFDIA-UHFFFAOYSA-N 422.507 0.910 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCOC[C@H]3C[C@@H](C)O)CC2)cc1 768293086 FPFHTJXABDSHHJ-IEBWSBKVSA-N 406.527 0.999 10 10 HCCE CCNC(=O)C1CN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 778306737 SGHYJBHSQOULCG-HJWRWDBZSA-N 400.479 0.495 10 10 HCCE CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252761167 QSISBZQCTJNWSE-OAHLLOKOSA-N 414.528 0.217 10 10 HCCE COC[C@@]1(C(=O)OC)CCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1559997456 WTMIXSFATNLYFK-DENIHFKCSA-N 421.538 0.832 10 10 HCCE CO[C@]1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCS(=O)(=O)C1 1638007768 VQYZKKIFZZRTRC-IBGZPJMESA-N 410.540 0.441 10 10 HCCE Cc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1640801028 ZZQUGJPRSRYHDS-UHFFFAOYSA-N 412.489 0.699 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3C[C@H](C)OC(C)(C)C3)CC2)cc1 803746126 AIPVSQWZIDLVSO-KRWDZBQOSA-N 418.538 0.959 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC4(CNC(=O)O4)C3)CC2)cc1 1142625192 DOJKHTZLUSYPJJ-SREVYHEPSA-N 400.435 0.221 10 10 HCCE O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]2CCCC[C@H]2N1 1683731334 OUGJAHWADNQXFB-QZTJIDSGSA-N 420.535 0.874 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H](NC(C)=O)C(N)=O 1297228634 RCXJCELNNUUZSG-KRWDZBQOSA-N 406.483 0.755 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1617941307 WEWJYBYNELIWJA-BEFAXECRSA-N 422.507 0.674 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)cc1F 1622564295 XFYXUQQLCWJUIR-INIZCTEOSA-N 420.416 0.808 10 10 HCCE CC(=O)OC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616582621 DPAXDKFCBLGMIZ-YIDVYQOGSA-N 417.371 0.396 10 10 HCCE CCS(=O)(=O)CCCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1142233037 BTWYZGWJXYLXDH-KTKRTIGZSA-N 423.535 0.841 10 10 HCCE O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)N1 1361063591 QJTMSFBROAZARZ-FZMZJTMJSA-N 417.434 0.286 10 10 HCCE O=C1CN(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)N1 732357169 MQMGVBAFHOOVIA-UHFFFAOYSA-N 421.365 0.496 10 10 HCCE O=C1CO[C@@H]2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@H]2N1 1478785914 ASCZYHNLWQRULP-HZPDHXFCSA-N 410.421 0.600 10 10 HCCE CN1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C1 1618466200 KWHZFRHCLAYIDJ-MGPUTAFESA-N 400.483 0.638 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCN3CCOC3=O)CC2)cc1 778257765 KJRGQMXLSOGMME-BQYQJAHWSA-N 416.478 0.859 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCn4c(O)nnc4C3)CC2)cc1 783710713 TVORYOJWAHXWEW-VOTSOKGWSA-N 412.450 0.240 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@H]3C(=O)NN=C3C)CC2)cc1 1136653713 FIBZZNSLWMROAU-LKGOPFMKSA-N 413.478 0.528 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H](S(C)(=O)=O)C1 2192653805 AGEKJIIIHFUEMF-SMDDNHRTSA-N 400.453 0.860 10 10 HCCE CCN1CCCN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 803746404 FRLJKXWWNBVQBE-UHFFFAOYSA-N 417.554 0.488 10 10 HCCE Cn1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cn1 1355064989 MCYMZEVQYWTGFV-SJORKVTESA-N 424.505 0.791 10 10 HCCE CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)co1 1538662215 QTBNKRCICZLSIS-UHFFFAOYSA-N 412.489 0.848 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 804735553 DPLRMWPCZSYLAW-UHFFFAOYSA-N 406.302 0.947 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1cccc(C(=O)OC)c1=O 1142691066 UPXFZGNKVRUPGI-UHFFFAOYSA-N 402.403 0.932 10 10 HCCE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1=O 1465931603 JIFNOASMVBRMFF-OAHLLOKOSA-N 407.442 0.895 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)CN1CCO 1470752698 JHBPTMBBPILLRA-IAGOWNOFSA-N 424.567 0.518 10 10 HCCE COC(=O)/C=C/c1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 771176369 MNWSFXJXBVYICT-BPJJOFIESA-N 411.436 0.521 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)S(N)(=O)=O)cc2F)C[C@@H](C)O1 799886858 FFMQGQQASSBDGM-JHJVBQTASA-N 402.492 0.916 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(-n4[nH]nnc4=N)c3)cc2)CC1 1138230489 UYBRKFVRWMRFLY-UHFFFAOYSA-N 420.477 0.673 10 10 HCCE CO[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)OC(C)(C)C 1461458137 BMAZTCVFLBXYEU-MRXNPFEDSA-N 412.508 0.894 10 10 HCCE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O 248227719 JTWUKKWBRBMKGC-ZDOLIQQPSA-N 406.435 0.649 10 10 HCCE COC(=O)/C=C\c1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 771176365 MNWSFXJXBVYICT-AGLBCWCQSA-N 411.436 0.521 10 10 HCCE COC/C(C)=C/C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1130865536 OZTNIHVEQSWNQR-JQIJEIRASA-N 411.524 0.856 10 10 HCCE COC(=O)[C@@]1(C)C[C@H](OC)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1644112484 JNRAHKAFDQRAAP-HRAATJIYSA-N 423.485 0.931 10 10 HCCE CNC(=O)N[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1676125456 IFTRCCRUWFKTHD-INIZCTEOSA-N 402.499 0.601 10 10 HCCE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1768682048 QZSNPUMNIMLRKM-UHFFFAOYSA-N 409.450 0.936 10 10 HCCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2086866059 MYQWQUNUOAHAGW-LBPRGKRZSA-N 406.424 0.378 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)Cn1ccccc1=O 1116852360 UAJIESJASFTZNX-VBKZILBWSA-N 404.419 0.301 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1139584895 LHMJUWDRJNTHPT-QWFCFKBJSA-N 406.479 0.788 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCN3C)CC2)cc1 1632295637 NYDYSXFROGXTLQ-GOSISDBHSA-N 410.540 0.357 10 10 HCCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1641201113 QTCFWCBQOVVMQW-AWEZNQCLSA-N 421.523 0.364 10 10 HCCE Cc1nnc(CN(C)CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1C 746147809 QCFQHDDBNKURPT-QGZVFWFLSA-N 413.526 0.573 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cnn(C)c3)C2)cc1 1142797644 FJSFGMUSYNGZIS-AWEZNQCLSA-N 407.496 0.350 10 10 HCCE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 1565043697 CJMPRWFUJYGEOH-HNNXBMFYSA-N 408.524 0.684 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(Cc4nc[nH]n4)CC3)CC2)cc1 1654926797 GQZNSXQTIJGVSS-IBGZPJMESA-N 415.542 0.114 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1136281750 NZQMZNCJIAEWPU-UHFFFAOYSA-N 401.444 0.934 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H](O)CN1c1ccncn1 1147838419 VVTXRHXULCQZSF-UXHICEINSA-N 411.506 0.941 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=CCCCO3)CC2)cc1 1583892031 PUNBSYHMLSARJM-UHFFFAOYSA-N 409.508 0.958 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN3CCNC3=O)CC2)cc1 1638488558 KGZRZNZWQFMKEY-VOTSOKGWSA-N 401.467 0.041 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)N(C)C)cc1 1685686386 MCWPYBWNEBTJMF-ZWKOTPCHSA-N 412.556 0.810 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 754041461 ASXTYHYKFJUTER-HKUYNNGSSA-N 411.568 0.545 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)N3CC[C@@H](NC(N)=O)C3)CC2)cc1 763001708 MLHPOIOAQDFINQ-MRXNPFEDSA-N 404.515 0.660 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)CC)cc2F)CC1 1456127167 HKQRAJYYWKMZAM-UHFFFAOYSA-N 400.520 0.865 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)C2)cc1 1470593144 JQIXHNPAKIDFFA-ZDUSSCGKSA-N 422.511 0.684 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N=S3(=O)CCOCC3)CC2)cc1 1558717590 PQDZTQNXTDGCEP-VOTSOKGWSA-N 407.492 0.925 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1643244982 IAZAJZAYQYFTNT-LTDCPUDJSA-N 416.430 0.446 10 10 HCCE O=C(CN1CCC[C@@H]2OCCNC(=O)[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1644267267 DBEABRVECQICBR-ICSRJNTNSA-N 420.485 0.258 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4ncc[nH]4)CC3)CC2)cc1 1460043871 FFNYSNKOWMKBJT-LJQANCHMSA-N 400.527 0.723 10 10 HCCE CN(C)C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1470905868 XRHKBKWJYSZIOV-UHFFFAOYSA-N 403.527 0.563 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1F 1566347732 SERZJOBXEUMMAR-CYBMUJFWSA-N 404.402 0.497 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 1585653881 JIPLHFAIPTZSBN-CEXWTWQISA-N 423.535 0.831 10 10 HCCE CN(CCN1CCOCC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471369225 HYSJKSVWIUSWDM-UHFFFAOYSA-N 403.527 0.862 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](c4ccnn4C)C3)CC2)cc1 1660377783 MDCYTALTSFISFG-UGKGYDQZSA-N 415.538 0.985 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C(=O)OC 1687443490 IQBKSISWVDTWNX-QZTJIDSGSA-N 418.494 0.542 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nnc(O)n3C)CC2)cc1 1163566906 JNXJIEBHIBQCDL-FPLPWBNLSA-N 400.439 0.051 10 10 HCCE COC[C@@H]1C[C@@H](O)CN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1300246832 OFOJPZPPZIVZQN-MZIIKBMYSA-N 403.479 0.508 10 10 HCCE O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCc1ccc(N2CCOCC2)cc1 1543808914 ANAUOBIYHNWMEN-FQEVSTJZSA-N 415.465 0.998 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)cc2)CC1 1625198355 FKEOCTQZNJAGTQ-PMACEKPBSA-N 424.505 0.401 10 10 HCCE COCc1noc(CN2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)n1 780622027 KDCBUMWFWFMOKU-UHFFFAOYSA-N 404.383 0.777 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H](C)CCO)CC2)cc1 1252762092 ZEMLRKSMPPZEOP-HNNXBMFYSA-N 414.528 0.217 10 10 HCCE Cc1c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nnn1-c1cnn(C)c1 1616601263 YCUPFPARBVQIDT-UHFFFAOYSA-N 422.493 0.941 10 10 HCCE Cn1c(S)nnc1CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1682339882 BCLXOMFGFYCFPR-UHFFFAOYSA-N 417.539 0.847 10 10 HCCE Cc1nccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 793718268 IEUYJTIRJCRGIU-MRXNPFEDSA-N 410.478 0.419 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]cc3F)CC2)cc1 1165639775 XFTRUHWMYJNGOM-UHFFFAOYSA-N 411.459 0.439 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)Cn3nc4n(c3=O)CCCC4)CC2)cc1 1442465527 DFTZFEFZGCVOMS-UHFFFAOYSA-N 414.510 0.328 10 10 HCCE CN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CCC[C@H](N2CCOCC2)[C@H]1O 1615077489 YBUWAHLTEXMYCM-HBFSDRIKSA-N 400.479 0.852 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(OC)(OC)[C@@H](O)C3)CC2)cc1 1654636856 FWSSESVVTKKQCX-QUCCMNQESA-N 409.527 0.234 10 10 HCCE COC[C@@](C)(CCO)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 778434869 WZXUQICXIJDGHD-MHNQQFQPSA-N 405.495 0.804 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@]12CCOC2=O 1230798930 LBGFJCDAQKOZET-IBGZPJMESA-N 407.492 0.913 10 10 HCCE CCOC(=O)COCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1251194706 HAMLFVBASUSBCV-MRXNPFEDSA-N 406.483 0.767 10 10 HCCE COc1ccc(N2CCC(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)cc1 1264934001 UAGRMZFCQBMERD-UHFFFAOYSA-N 419.507 0.925 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3nnn4cc(C)nc(O)c34)CC2)cc1 1583758019 CFTQSQHHOUAAQX-UHFFFAOYSA-N 411.466 0.699 10 10 HCCE CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)[C@@H](C)C1 803301767 YGJCUCOKJQWSMY-JKSUJKDBSA-N 402.495 0.780 10 10 HCCE COC(=O)c1ccc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1130779897 CUAUWBLFILOPCU-UHFFFAOYSA-N 417.487 0.962 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1COCCN1CC(F)(F)F 1153663808 QMQNCPHZYBPURX-QWHCGFSZSA-N 420.384 0.951 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCN3C(=O)CNC(C)=O)C2)cc1 1436971629 OBRZTKCTHXSXON-VQIMIIECSA-N 402.495 0.765 10 10 HCCE CN1C[C@@H](NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C(=O)N1 1466410891 UMUHWCHMYQTTNH-FMNNIJNLSA-N 408.480 0.878 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCS(=O)(=O)CCO3)cc2)CC1 1676130889 WGUPVXQHVKZSJT-UHFFFAOYSA-N 410.496 0.260 10 10 HCCE CNC(=O)[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1 1729676494 CIUJDZNRNPZRIQ-SFHVURJKSA-N 400.483 0.423 10 10 HCCE Cn1nnnc1CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 772877742 SNTYPTXKSGXKDF-UHFFFAOYSA-N 408.465 0.751 10 10 HCCE COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1307903950 BDOMQUPXMORAIY-HZPDHXFCSA-N 409.458 0.134 10 10 HCCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1444988333 OYTCGYZOPIFTSW-CHWSQXEVSA-N 423.424 0.564 10 10 HCCE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1473678641 APQOCQCOQLIJQZ-QGZVFWFLSA-N 421.517 0.966 10 10 HCCE COC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CS(=O)(=O)C1 1354658765 RGMFTDSYPSDNKO-CHWSQXEVSA-N 400.472 0.869 10 10 HCCE C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1565363828 ZDUJTGHYZYRXSL-AWEZNQCLSA-N 410.540 0.963 10 10 HCCE CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1595583445 IZHHFGFHPRSGGF-OAHLLOKOSA-N 418.947 0.864 10 10 HCCE Cn1cc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(=O)n(C)c1=O 746010340 GFEZMGRMOCNHLQ-GQCTYLIASA-N 416.453 0.514 10 10 HCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 919849070 FSHFLTLFVJCJHW-UHFFFAOYSA-N 417.553 0.256 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)C3CN(S(C)(=O)=O)C3)CC2)cc1 1183025014 ISEKKZXNBBKMIP-UHFFFAOYSA-N 410.540 0.215 10 10 HCCE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nnnn1C1CC1 1252850381 DZSPPSCGBFODMP-ZDUSSCGKSA-N 419.511 0.803 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC4(CCNC(=O)O4)C3)CC2)cc1 1648100944 IEYPREUBRGJKAA-SREVYHEPSA-N 414.462 0.611 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2O)[C@H](S(C)(=O)=O)C1 2192665053 RHVNTCQOOMXTJJ-DGCLKSJQSA-N 402.469 0.926 10 10 HCCE Cn1cc(C(N)=O)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 756682958 KPEMMSRDBQFSOP-UHFFFAOYSA-N 418.425 0.573 10 10 HCCE COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1197113610 AKYFXMDVHMUSLC-NPNMTCQASA-N 423.485 0.664 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)NCCCS(N)(=O)=O)CC2)cc1 1312933051 QKEVLJQCUVDQIP-UHFFFAOYSA-N 413.544 0.185 10 10 HCCE O=C1NC[C@H](Cn2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)nn2)O1 1535345751 NCLBZRSBFYCBNO-GFCCVEGCSA-N 422.392 0.431 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)cc2)CC1 1558397262 NSZQOPQMSRLUIM-OALUTQOASA-N 424.505 0.434 10 10 HCCE CN1CCn2nc(C(=O)NCc3cccc(Br)c3O)cc2S1(=O)=O 1634724940 LHUKULUKNHGEPK-UHFFFAOYSA-N 415.269 0.915 10 10 HCCE O=C1CC[C@H](N2C(=O)c3cccc(OCC(=O)c4ccc(O)c(O)c4)c3C2=O)C(=O)N1 1865751486 UVMIQUSVBOWBQL-LBPRGKRZSA-N 424.365 0.761 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@H]([C@@H](C)O)C3)CC2)cc1 803746287 DORTUIIPAUXILL-QZTJIDSGSA-N 418.538 0.553 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CCc3cnccn3)CC2)c1 1302863994 YOYBKPCQOCUXIN-UHFFFAOYSA-N 405.480 0.554 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1643242480 REXSDLKPJYYLQR-UHFFFAOYSA-N 419.459 0.782 10 10 HCCE Nc1n[nH]c(C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)n1 1645955572 FKDLQATYIUSAAO-UHFFFAOYSA-N 417.489 0.858 10 10 HCCE CCOc1ccc(N2C(=O)C(=CNCCN3CCNCC3)C(=O)NC2=S)cc1 2296563799 VBZFVTIZRIDPRP-UHFFFAOYSA-N 403.508 0.212 10 10 HCCE CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O 769123245 XDRQGNWFQGEMRF-UHFFFAOYSA-N 413.478 0.255 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](NC(N)=O)C3)CC2)cc1 778410280 LNJJIEUOXVPZPK-XHPSBEMXSA-N 401.467 0.169 10 10 HCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 790557338 AASVOYIJVJHPJT-HXUWFJFHSA-N 419.503 0.151 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1142728602 YCEUTIFELHZPPC-AWEZNQCLSA-N 416.459 0.722 10 10 HCCE COc1ccc(N2CCC(NC(=O)CCn3cc(C(N)=O)c(O)nc3=O)CC2)cc1 1464708853 ZECPJPJFSWCJIS-UHFFFAOYSA-N 415.450 0.232 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033190 UITUJASEBHLAFH-HNNXBMFYSA-N 400.435 0.947 10 10 HCCE CCOc1ccc(N2C(=O)C(=CNCCN3CCOCC3)C(=O)NC2=S)cc1 2296567560 OPECBINTGNTFSH-UHFFFAOYSA-N 404.492 0.639 10 10 HCCE COc1ccc(N2CCN(CCNS(=O)(=O)c3cnc4n3CCC4)CC2)cc1 772663198 PKEXHXOQQRHQDG-UHFFFAOYSA-N 405.524 0.938 10 10 HCCE C[C@@H](NC(=O)C(=O)N1CCN2CCOC[C@H]2C1)c1ccc(N2CCOCC2)cc1 803311255 NUGFBDRUBHKDNC-VQIMIIECSA-N 402.495 0.243 10 10 HCCE C[C@H]1c2nncn2CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1687006652 OBTXKGWYMLAXFJ-AWEZNQCLSA-N 404.496 0.799 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(NC4COC4)C3)CC2)cc1 1179456944 CNMIHAGIZWLRFM-VOTSOKGWSA-N 400.479 0.099 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)on3)CC2)cc1 1437449653 FZOHXKSOONRBPA-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@@H]2c1ccc(O)c(O)c1 1865026325 MATCQULKWJJRPE-MRXNPFEDSA-N 415.450 0.651 10 10 HCCE Cn1nnc(NC(=S)NC(=O)/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 207328535 JDIYCDZADXGUGS-HYXAFXHYSA-N 418.439 0.481 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)c3nnc(O)n3C)CC2)cc1 1163836032 NXFUQRSUHHSOOZ-CKXPSTMWSA-N 414.466 0.612 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC4(CN(C)C(=O)O4)C3)CC2)cc1 1469125029 RSSYLTXUXYQTSL-FPLPWBNLSA-N 414.462 0.563 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)CC1 1535157674 XTKRBXCBRPBQKD-KDURUIRLSA-N 424.501 0.956 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCS(=O)(=O)C[C@H]1CCO 1637228455 KTJUFUHJGBMGHH-QGZVFWFLSA-N 411.524 0.339 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864019355 JJNSZULGXAQBJG-OAHLLOKOSA-N 415.450 0.341 10 10 HCCE COC(=O)N1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 743362657 HBKNPVFBNCPSDO-UHFFFAOYSA-N 405.499 0.911 10 10 HCCE Cn1cnc2c1c(=O)n(CCCOC(=O)/C=C\c1ccc(O)c(O)c1)c(=O)n2C 772769413 OLKKTIUPVWAOBY-ALCCZGGFSA-N 400.391 0.492 10 10 HCCE Cn1cc(/C=C\C(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)n(C)c1=O 918617134 JJQHCURNZOHZHE-YVMONPNESA-N 400.504 0.967 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC(CF)CF)CC2)cc1 1565033831 FQJIURDSHWEANQ-UHFFFAOYSA-N 420.482 0.754 10 10 HCCE CN1CCn2nc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2S1(=O)=O 1585539316 CRSJZNBRJLDBGJ-UHFFFAOYSA-N 419.507 0.408 10 10 HCCE CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1O 1643094091 UGKCUXKFRCBESO-UHFFFAOYSA-N 407.489 0.824 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 802286063 LMLMSRNNTVXIBQ-UHFFFAOYSA-N 417.509 0.404 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)cc2)CC1 1478504214 FDYICRNYTASZFP-MJGOQNOKSA-N 423.583 0.956 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)CN3CCCC3)CC2)cc1 1556855188 UFYLEIQRFHDCLP-BLGFXRMMSA-N 416.522 0.473 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)c(OC)c1 1631372598 UDWBCVDPUDKDGG-CQSZACIVSA-N 412.512 0.268 10 10 HCCE CCOC(=O)COCCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1686509546 RIRJMGUFLUOYGJ-UHFFFAOYSA-N 406.483 0.767 10 10 HCCE C[C@H](C(N)=O)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945040 QPMAWGGGWUWFRR-MRVPVSSYSA-N 405.457 0.953 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3[nH]cnc3C)CC2)cc1 1557398484 BXCNECPHHNWISO-UHFFFAOYSA-N 421.523 0.537 10 10 HCCE CCOC(=O)[C@]1(C)CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCO1 1620516587 SFTWYKQDGUWCED-KNQAVFIVSA-N 421.538 0.832 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN3CC[C@H](C)C3)CC2)cc1 1644651899 DDXTWNFSYTVKRW-KRWDZBQOSA-N 424.567 0.605 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@](O)(C(F)F)C1 1687007006 TYKZWZKGWMBKCF-KRWDZBQOSA-N 403.451 0.833 10 10 HCCE COCCN1CC[C@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 736656144 CYOZNULOPHYRFN-SFHVURJKSA-N 405.543 0.837 10 10 HCCE CC[C@@H](CO)N1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779222181 IQMZZESIWCAVTE-PZJWPPBQSA-N 406.571 0.567 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cc[nH]n3)CC2)cc1 1469900794 QJOYSWOVICLPKU-UHFFFAOYSA-N 407.496 0.229 10 10 HCCE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)c(OC)c1 1557822765 JFLQDOBSIIMRJL-UHFFFAOYSA-N 420.491 0.726 10 10 HCCE O=C(NCCN1CCC(O)CC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636797015 VNTAKCDAHQTGGV-UHFFFAOYSA-N 410.540 0.177 10 10 HCCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011789 YJEUJZHQYZETPN-BONVTDFDSA-N 402.451 0.975 10 10 HCCE C[C@@](Cn1cccn1)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(N)=O 1176860630 NWQQTSRXGSQGEF-FQEVSTJZSA-N 418.473 0.009 10 10 HCCE CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1296155047 APPZCSZANGLDAT-CYBMUJFWSA-N 415.512 0.689 10 10 HCCE Cn1nc(O)c2c1CN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2 1473719987 ZEKVLNCXQWHIAO-UHFFFAOYSA-N 403.458 0.776 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)CC2)cc1 1620560443 UMERAHZBKGJKLP-BJLQDIEVSA-N 423.579 0.545 10 10 HCCE COCCN1C(=O)C(=Cc2c(N(C)CCO)nc3ccccn3c2=O)SC1=S 2040470085 CTNFWOASBASMOX-UHFFFAOYSA-N 420.516 0.971 10 10 HCCE Cn1cc(/C=C\C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(=O)n(C)c1=O 805259541 IXJVORANEIPBBB-YVDRWBGASA-N 424.457 0.133 10 10 HCCE COc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c(O)c1 1617752665 HBYQIBGPSXDMQJ-INIZCTEOSA-N 403.410 0.759 10 10 HCCE COC[C@]1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 1683897316 YGWSIZJZNQDPEF-IBGZPJMESA-N 411.524 0.868 10 10 HCCE CCS(=O)(=O)C1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685330988 JCQFVHAYPWUPMC-UHFFFAOYSA-N 408.524 0.717 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 758416380 ZAGDAHGNXUNFJO-LJQANCHMSA-N 403.527 0.543 10 10 HCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 1540567268 GMOKTIGENAGEBO-UHFFFAOYSA-N 419.507 0.651 10 10 HCCE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2162933643 SHYNOSYTKZOCGB-UHFFFAOYSA-N 401.485 0.549 10 10 HCCE COC(=O)/C=C\c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 206253126 TXMMVGVUJIOILW-HYXAFXHYSA-N 418.450 0.762 10 10 HCCE COc1cc(N2CCN(C(=O)c3cnc(O)n(C)c3=O)CC2)cc(OC)c1OC 760086268 SRXPSZSZSVZXRQ-UHFFFAOYSA-N 404.423 0.474 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)CC2)cc1 787329383 DAWRKXJOSHXUBB-XIGKFDRGSA-N 402.539 0.764 10 10 HCCE C[C@]1(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCS(=O)(=O)N1 1130980256 MVPUMTPERUEAAB-QGZVFWFLSA-N 415.537 0.010 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CNS(=O)(=O)NC 1139585608 SUWFXUVVDYJDGW-UHFFFAOYSA-N 400.501 0.429 10 10 HCCE CS(=O)(=O)C[C@H](O)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1312834252 URYXZXUEFCTDQM-GFCCVEGCSA-N 407.439 0.006 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCC3CCN(S(C)(=O)=O)CC3)cc2)CC1 1633936930 LRIFGSKMOWUHNZ-UHFFFAOYSA-N 423.583 0.909 10 10 HCCE COC1(CO)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1636796326 CFBLUCFWKMRCPW-UHFFFAOYSA-N 411.524 0.604 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729420299 LYTCXEPZRNHNDD-KXBFYZLASA-N 422.507 0.674 10 10 HCCE CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCN2C1=O 757634129 HRYSUAKTWHAGPU-KRWDZBQOSA-N 419.457 0.840 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H](C)O1 1479344377 RLTUDFBYYMXOLE-KDOFPFPSSA-N 418.494 0.860 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CC(CO)(CO)C3)CC2)cc1 1557742926 XRRQKLZZAWMXOS-SREVYHEPSA-N 403.479 0.150 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3ccnc3)CC2)cc1 1632291277 LZWAJFMQFNWXFC-UHFFFAOYSA-N 407.496 0.160 10 10 HCCE CS(=O)(=O)C1(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1634944718 JOJPPFWUKVJQCS-UHFFFAOYSA-N 408.524 0.765 10 10 HCCE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)c1 741733993 VKHKYZXXEBBOEO-ZZXKWVIFSA-N 400.460 0.952 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CCCS1(=O)=O 1248737881 HCMMCINSCAHHSH-MRXNPFEDSA-N 415.537 0.298 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)Cc3nc(=O)o[nH]3)CC2)cc1 1557204845 MTPPKPQKMLOSOH-FPLPWBNLSA-N 401.423 0.235 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1289423199 HMLAIHPUXJKUBJ-QGZVFWFLSA-N 411.510 0.930 10 10 HCCE O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2cc(O)c(O)cc2s1 1293902313 CWEAYYGIEARPKQ-ZDUSSCGKSA-N 405.476 0.975 10 10 HCCE C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565044155 JELFGRQUEDQSIT-CQSZACIVSA-N 417.553 0.496 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(=O)N=S(C)(C)=O)CC2)cc1 1570546211 NZQUNOVDZAPXSH-HJWRWDBZSA-N 422.507 0.270 10 10 HCCE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1597922630 ZVBOQCDULSOQKJ-UHFFFAOYSA-N 411.505 0.545 10 10 HCCE Cc1c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nnn1-c1ccn(C)n1 1616601496 ZDNDEXUURJIUJG-UHFFFAOYSA-N 422.493 0.941 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(N4CCOCC4)ncn3)cc2)C1 1625271941 UYZWGEBRBYDUCB-KRWDZBQOSA-N 424.505 0.945 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)C2)cc1 1683946014 YJLXCKZXKAZLBW-ZBFHGGJFSA-N 412.512 0.234 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)NCc2nnc3c(=O)n(C)ccn23)N(C)C)cc1 1479180389 ALRNYZUQZRIEPW-INIZCTEOSA-N 412.498 0.596 10 10 HCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 767778471 KJMDCMNBMAPFJQ-ARFHVFGLSA-N 424.519 0.866 10 10 HCCE Cn1cc(C2=NO[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cn1 1517371452 BHVFVVZWDQAFEI-BEFAXECRSA-N 410.478 0.931 10 10 HCCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1557640692 SLUDXFBFVJOZFV-IBGZPJMESA-N 402.495 0.391 10 10 HCCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H](S(C)(=O)=O)C1 2192653802 AGEKJIIIHFUEMF-BXUZGUMPSA-N 400.453 0.860 10 10 HCCE NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 733998326 SNWYFVFGMJBWBG-HNNXBMFYSA-N 414.503 0.031 10 10 HCCE COC(=O)c1cn(CCNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 1470145615 HPMYKRVEYFNQKN-AWEZNQCLSA-N 402.455 0.899 10 10 HCCE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1544675940 FPASVBFREJGZJD-MRXNPFEDSA-N 408.474 0.685 10 10 HCCE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 1565043698 CJMPRWFUJYGEOH-OAHLLOKOSA-N 408.524 0.684 10 10 HCCE CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 1565453340 XSEOQIXQCRBQJP-MSOLQXFVSA-N 406.531 0.695 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCCN3CCC4(C3)OCCO4)cc2)CC1 1685411988 BEUAEIYXUQNZCZ-UHFFFAOYSA-N 403.527 0.686 10 10 HCCE CCc1ccc(N2C(=O)[C@@H]3ON(CC(N)=O)[C@@H](c4ccc(O)c(O)c4)[C@H]3C2=O)cc1 251922282 BEXVEHDPURURQN-CEXWTWQISA-N 411.414 0.992 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@]12COCCN1C(=O)OC2 1253510462 FIAPFJTXEDXEER-FQEVSTJZSA-N 404.467 0.668 10 10 HCCE CN1CCN(c2ccc(CNC(=O)c3cc(N4CCNC(=O)C4)ccn3)cc2)CC1 1303085090 NBYOIQOXKZBXTC-UHFFFAOYSA-N 408.506 0.700 10 10 HCCE NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 787330087 HIRLEAWRCWLBAY-QINHECLXSA-N 404.486 0.864 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CCNC(=O)CO)NC(=O)OC(C)(C)C)cc1 1618254075 WLIDQEHGILVAOC-MRXNPFEDSA-N 408.499 0.933 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)[C@@H]3CCC(=O)N(C)C3)CC2)cc1 1636802622 UFPRSGVBWFHGCN-RXQFDZFGSA-N 414.506 0.979 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC(S(N)(=O)=O)C3)cc2F)C[C@H](C)O1 1643384817 HFAXXJYVOUNKBG-STQMWFEESA-N 414.503 0.028 10 10 HCCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864008309 HXSIJTSTIUJBFQ-MRXNPFEDSA-N 401.467 0.902 10 10 HCCE COCCNC(=O)NCCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 585203463 UUFBBEAPNAYAFM-UHFFFAOYSA-N 414.528 0.483 10 10 HCCE Cn1nnnc1SCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1439329969 ONIWFIIOLCFKLZ-UHFFFAOYSA-N 403.512 0.710 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 1622026447 CIPKDWFLHHFYJC-AREMUKBSSA-N 417.557 0.264 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC([C@@H]4COC(=O)N4)CC3)CC2)cc1 1655760184 AESFGYSYAMYRHZ-FPOVZHCZSA-N 418.538 0.999 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(O)c2O)[C@@H](S(C)(=O)=O)C1 2192659804 NZWYDUHJBQAZOY-AAEUAGOBSA-N 400.453 0.860 10 10 HCCE COC(=O)/C=C/c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 727431935 ZMABLSWGCPFELS-HWKANZROSA-N 401.383 0.116 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(C(N)=O)co3)CC2)cc1 779240212 OWCBKPRNQMKAGY-VOTSOKGWSA-N 412.446 0.908 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(n4cnnc4O)CC3)CC2)cc1 1307740341 FVJGDYMIKZMRLH-IBGZPJMESA-N 416.526 0.812 10 10 HCCE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3c(O)cccc3O)cnc21 1472063435 KJTSNVTVCMEHHW-UHFFFAOYSA-N 408.212 0.620 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCc2nnc3c(=O)n(C)ccn23)N(C)C)cc1 1479180390 ALRNYZUQZRIEPW-MRXNPFEDSA-N 412.498 0.596 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(S(C)(=O)=O)C3)CC2)cc1 1557029019 DUKUJJGUAQBDRB-FPLPWBNLSA-N 407.492 0.155 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)Cc3cc(C)on3)CC2)cc1 774180578 QAHLJWOOWZBHOB-UHFFFAOYSA-N 415.494 0.888 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)CCS(=O)(=O)N(C)C)cc2F)CC1 1144592899 VTPAYBVWYHPASM-UHFFFAOYSA-N 400.520 0.865 10 10 HCCE CCOC(=O)C1(O)CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 746462473 INICXPNHPBMHSO-UHFFFAOYSA-N 405.495 0.734 10 10 HCCE O=C(NCc1c(O)cccc1O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1156885480 GPGCSAOCQPWJLO-ZDUSSCGKSA-N 400.840 0.707 10 10 HCCE CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1478667209 VBMWJEPJHLOWOW-CYBMUJFWSA-N 420.482 0.928 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCCO3)CC2)cc1 1586837154 VLAHTFBTNNKWAS-SFHVURJKSA-N 411.524 0.832 10 10 HCCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2233978617 VBUMMMHXIFLRQY-ILXRZTDVSA-N 401.485 0.029 10 10 HCCE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1296245990 ISIJZOFTWBXDFZ-OHUAYANFSA-N 414.505 0.934 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1F 1631377420 MYFNNMHORZZOIA-NVXWUHKLSA-N 401.442 0.913 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN(CC(N)=O)C3CCOCC3)CC2)cc1 1654662057 MQAQMXBCWXLHPN-IBGZPJMESA-N 406.527 0.144 10 10 HCCE CCOC(=O)[C@@]1(C)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 1655381020 IJIAOIHGKYPMQB-OAQYLSRUSA-N 423.485 0.933 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCCN3C(=O)CCC3=O)CC2)cc1 733801117 CFSDGDVHMMPCLI-UHFFFAOYSA-N 403.483 0.265 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)cc1 1460861597 BWOZXVWBGFPKFS-SCTDSRPQSA-N 409.552 0.155 10 10 HCCE CC1CCN(c2ccc(CNC(=O)CCn3cc(C(N)=O)c(O)nc3=O)cc2)CC1 1565664077 UXYINFAHQMDRBL-UHFFFAOYSA-N 413.478 0.991 10 10 HCCE C[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C)CC1 1683734197 HDIROHBDKGRGSW-QGZVFWFLSA-N 423.583 0.357 10 10 HCCE C[C@H](NC(=O)CCn1cc(C(N)=O)c(O)nc1=O)c1ccc(N2CCOCC2)cc1 1136442709 AJPKBRFPVGFGST-ZDUSSCGKSA-N 415.450 0.152 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCOCCS(N)(=O)=O)cc1 1467851804 KZSKLXLCIXNGPZ-UHFFFAOYSA-N 407.492 0.870 10 10 HCCE CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1O 1503831163 QVXBKQCRSSUCHI-UHFFFAOYSA-N 410.500 0.308 10 10 HCCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1611174887 GVJPNWLVFYNCPY-UHFFFAOYSA-N 405.476 0.897 10 10 HCCE CCN(CC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865730783 FWYQSDPNUKRZLV-CYBMUJFWSA-N 416.434 0.058 10 10 HCCE CC1(C)OCC([N+](=O)[O-])(/[N+]([O-])=N/CCNS(=O)(=O)c2ccc(F)cc2)CO1 22636815 XYZYJDDHKPZYKK-VLGSPTGOSA-N 406.392 0.822 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)Cc3c(C)nc(O)nc3O)CC2)cc1 1142565941 QJILXGODRFZINY-UHFFFAOYSA-N 401.467 0.686 10 10 HCCE O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1153792970 WTOPLDGUJLVTSX-RBSFLKMASA-N 410.492 0.824 10 10 HCCE COC(=O)[C@@H]1[C@H]2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@H]21 1312982460 KUFRWJPRBJWOAN-FVQHAEBGSA-N 407.492 0.482 10 10 HCCE C/C(=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CN1CCOCC1 1584064484 SJHBLOQBFBJVRI-SAPNQHFASA-N 407.536 0.816 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 1585883870 JQKMJURGRAWWIN-IRXDYDNUSA-N 411.506 0.453 10 10 HCCE NC(=O)c1cn(CCCCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nn1 1636094765 NOYPXCJKPOLENC-UHFFFAOYSA-N 415.498 0.618 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@H](C)CCO)CC2)cc1 1252762094 ZEMLRKSMPPZEOP-OAHLLOKOSA-N 414.528 0.217 10 10 HCCE CS(=O)(=O)Cc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)co1 1464360106 IEPMYUPLWNYVJV-CQSZACIVSA-N 420.491 0.851 10 10 HCCE COC[C@]1(C(=O)OC)CCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1559997457 WTMIXSFATNLYFK-KNQAVFIVSA-N 421.538 0.832 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@]3(OCCO)CCOC3)cc2)CC1 1684174518 FUAPYKXCUNKGSN-OAQYLSRUSA-N 420.510 0.356 10 10 HCCE CO[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@](C)(CO)C1 1565044739 RKRDUHGFBUHQKG-PKOBYXMFSA-N 411.524 0.603 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4nc[nH]n4)CC3)CC2)cc1 1659223280 JPLFUZSYUKVZJI-SFHVURJKSA-N 401.515 0.118 10 10 HCCE COc1cc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 1858596524 VOMZCQXIHPEWJN-JVVDXDAESA-N 400.390 0.956 10 10 HCCE COC(=O)c1ccc(=O)n(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)n1 758227495 VLAPUEZMISRQDB-MRXNPFEDSA-N 402.451 0.222 10 10 HCCE NC(=O)COC1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1229782154 SYLGUIZEURXGQV-UHFFFAOYSA-N 412.437 0.977 10 10 HCCE O=C(CN1CCC(Cc2nn[nH]n2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1655485642 DWDSPLDSVPDOST-UHFFFAOYSA-N 417.489 0.746 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCN3CCCS3(=O)=O)cc2)CC1 1288913404 VHQPAKBMSWDCNP-UHFFFAOYSA-N 408.524 0.430 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 787044932 WXZRBQFXAVORJM-HUUCEWRRSA-N 406.483 0.779 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccnn3)CC2)cc1 1437457836 ASDLDLDGNGHEOS-UHFFFAOYSA-N 405.480 0.367 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(O)(CO)CC3)CC2)cc1 1452996179 HSVBAOCGFGVYDH-SREVYHEPSA-N 403.479 0.246 10 10 HCCE COc1cc(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c([N+](=O)[O-])cc1OC 1651848706 OQNBCJOEHLBRLD-UHFFFAOYSA-N 422.485 0.706 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)N(C)C)cc1 1463279526 IYXUGTCXNDDGEQ-GOSISDBHSA-N 424.505 0.731 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](n2cncn2)C1 1683897306 XZYDKKOJJOXNLW-KRWDZBQOSA-N 404.496 0.670 10 10 HCCE COc1cc(Cl)cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 761190457 AITIJIVUUVIDGE-UHFFFAOYSA-N 405.904 0.749 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N[C@H](CO)C3CCOCC3)CC2)cc1 782502542 HNLZXXBAZSYLGE-HXUWFJFHSA-N 406.527 0.904 10 10 HCCE COc1ccc(N(CC(=O)N2CCO[C@H](C)C2)CC(=O)N2CCO[C@H](C)C2)cc1 914868909 RPSUBNABIYVGGM-IAGOWNOFSA-N 405.495 0.996 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(O)ncn3)CC2)cc1 1165638915 MCFBDQRBNAHHLU-UHFFFAOYSA-N 421.479 0.073 10 10 HCCE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=CN1CCN(C(=O)c2ccco2)CC1 2297559175 ZAHNUPHJOFRXHK-UHFFFAOYSA-N 414.443 0.958 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)c3cc(C(N)=O)cn3C)CC2)cc1 756684581 ONTWGEYLVMEDNR-UHFFFAOYSA-N 400.435 0.638 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)cc1 1312993394 AESPYFKOJDUMDX-KXBFYZLASA-N 409.508 0.873 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnsn3)CC2)cc1 1586835208 GGISGZBWSVEWMJ-UHFFFAOYSA-N 411.509 0.429 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC(CN4CCNC4=O)CC3)nc12 1660381793 KRISEZIJALKKSP-UHFFFAOYSA-N 402.455 0.849 10 10 HCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 789800162 MJIPXEGFNOSTLV-KRWDZBQOSA-N 419.375 0.804 10 10 HCCE Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nnn1-c1cnn(C)c1 1125258196 VPPQEQALMKAQPX-MRXNPFEDSA-N 422.493 0.941 10 10 HCCE O=C(Cc1ccc(O)c(O)c1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1295813345 SWRQZZBCMUBSGO-UHFFFAOYSA-N 420.443 0.601 10 10 HCCE CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C1 1618466199 KWHZFRHCLAYIDJ-FOIQADDNSA-N 400.483 0.638 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1639621389 CDNDWLDNLCBIRK-HUUCEWRRSA-N 403.460 0.592 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3[C@H](CO)CC[C@H]3CO)cc2F)C[C@@H](C)O1 1646468626 IFDIMUUILCFYCV-LMSBXDPUSA-N 409.502 0.873 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N=S3(=O)CCCC3)cc2)CC1 1211512273 GPCFADXEELYZOG-UHFFFAOYSA-N 414.553 0.951 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C2)cc1 1234084599 WFWSIDLWUOKTPN-OAHLLOKOSA-N 413.544 0.653 10 10 HCCE C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1CS(N)(=O)=O 1246382122 NXANMBKEMBKISH-WBVHZDCISA-N 409.556 0.504 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CSCC(=O)N1CCOCC1 1630480794 HUSQRGFUBYWLJZ-UHFFFAOYSA-N 410.492 0.876 10 10 HCCE COC[C@H]1C[C@@H](O)CN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1632069910 OFOJPZPPZIVZQN-HNGSOEQISA-N 403.479 0.508 10 10 HCCE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O 1767850273 UQFVEKCGHVYPIR-UHFFFAOYSA-N 403.468 0.626 10 10 HCCE Cn1cc(/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(=O)n(C)c1=O 746010341 GFEZMGRMOCNHLQ-XQRVVYSFSA-N 416.453 0.514 10 10 HCCE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NCc1ccc(N(C)C)cc1 749557216 FLBQXYMLQJKOGE-RWQQGDIJSA-N 403.479 0.794 10 10 HCCE COCCN(C)S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 759437402 PGRLMDPVXSEIQL-UHFFFAOYSA-N 411.505 0.764 10 10 HCCE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCC(=O)C(C)=O 808655179 YEYJIDRSNVCUAD-UHFFFAOYSA-N 412.464 0.336 10 10 HCCE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(O)c(O)c1 1150488304 OQOSUOSIMFCPRO-ZUZCIYMTSA-N 400.478 0.546 10 10 HCCE CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1251104243 LUPDLAFPIVUAFY-QGZVFWFLSA-N 423.539 0.221 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CN3CCCCS3(=O)=O)CC2)cc1 1292283688 YRQMVLBFRLTOEI-UHFFFAOYSA-N 410.540 0.359 10 10 HCCE CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 1471912489 OKGJZLDGNBTPEC-UHFFFAOYSA-N 420.491 0.819 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1F 1631377422 MYFNNMHORZZOIA-WBVHZDCISA-N 401.442 0.913 10 10 HCCE Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCSc1nccs1 1751935539 UZSUMWQNSVWUJN-LBPRGKRZSA-N 407.525 0.372 10 10 HCCE Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n(C)c1=O 1890560451 FLDQWZXVNZUNBM-RDJZCZTQSA-N 422.489 0.739 10 10 HCCE Cc1nc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)n[nH]1 1560103770 YVJRCDWSYPKSKK-UHFFFAOYSA-N 417.489 0.527 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 1673826220 KQPAMAHVZGAJCP-AWEZNQCLSA-N 411.466 0.762 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCCS(=O)(=O)C[C@@H]3C)CC2)cc1 1176380640 FCSYMOWYHDUJHQ-HKUYNNGSSA-N 411.568 0.687 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2c(c1)COB2O 1469958137 VIEHQUIFZYFHET-UHFFFAOYSA-N 400.265 0.069 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1cnc2n1CCOC2 1470754686 STJPIKLFBHDJFC-UHFFFAOYSA-N 419.507 0.648 10 10 HCCE CN1CCC(O)(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1685243791 BJTMJJWIQUAYAV-UHFFFAOYSA-N 403.527 0.644 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](CO)C3CCOCC3)CC2)cc1 782502539 HNLZXXBAZSYLGE-FQEVSTJZSA-N 406.527 0.904 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H]4COC[C@@H](C3)O4)CC2)cc1 801541997 XBMAIHOOFRXLEW-SMJNTDKHSA-N 401.463 0.526 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(C(N)=O)c3)C2=O)cc1 1559368433 RLUNMNIKELKRTN-QFIPXVFZSA-N 423.473 0.935 10 10 HCCE Cn1cc(/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(=O)n(C)c1=O 735828675 KCJDBBWKYJIYLV-VMPITWQZSA-N 412.490 0.622 10 10 HCCE NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 770498977 KEMVYHPEXSTFHO-UHFFFAOYSA-N 408.455 0.759 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)CC3(C)C)CC2)cc1 1193703113 CBPWMPVTAOVISB-SFHVURJKSA-N 411.568 0.687 10 10 HCCE CN(CCS(N)(=O)=O)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1460716048 FVXMZLYCYXSEOV-UHFFFAOYSA-N 401.444 0.621 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 1526246735 OZHFQKDAHJMLRO-CQSZACIVSA-N 419.507 0.782 10 10 HCCE O=C(CO)NCCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1543567826 MGXLHKSEPDYNFS-UHFFFAOYSA-N 416.457 0.057 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCn4nncc4C3)CC2)cc1 1596350370 YRPATMMQKNVWES-BQYQJAHWSA-N 410.478 0.924 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=C(C)OCCS3(=O)=O)cc2)CC1 1634074736 SFUWLWHJQCGCNM-UHFFFAOYSA-N 407.492 0.648 10 10 HCCE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)Cc2ccc(O)c(O)c2)C1 1634386101 GTJBTNVTYPGXKB-UHFFFAOYSA-N 405.451 0.978 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CO)C(F)(F)F)CC2)cc1 1636756470 MFXGCGDTMJUAFH-LFAOLKIESA-N 401.385 0.939 10 10 HCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652067788 AFLBDUPYXWMJMI-JOCHJYFZSA-N 412.490 0.617 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)CN1CCO 1470752700 JHBPTMBBPILLRA-IRXDYDNUSA-N 424.567 0.518 10 10 HCCE NC(=O)NC1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1471370837 YDELXESFEHBQFD-UHFFFAOYSA-N 402.499 0.731 10 10 HCCE NC(=O)CN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2293034921 SILHPMXJQCPTBA-UHFFFAOYSA-N 405.457 0.955 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CN(C)Cc3nnc(C)n3C)cc2)CC1 787327887 OWHURDPQMOFCNG-UHFFFAOYSA-N 413.526 0.540 10 10 HCCE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1233604504 ODVOMKUGLOPOPM-UHFFFAOYSA-N 411.466 0.720 10 10 HCCE COC(=O)[C@@]1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 1648148998 RYSSPJWSLITLFK-LRAJWGHMSA-N 423.485 0.665 10 10 HCCE COc1cc(N2CCN(C(=O)N[C@@H](C)C(=O)N(C)OC)CC2)cc(OC)c1OC 1684294619 GIRYVQRPTWLPAH-ZDUSSCGKSA-N 410.471 0.952 10 10 HCCE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1865027915 NMUXVXYNJQIRQQ-OAHLLOKOSA-N 401.423 0.168 10 10 HCCE CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 740891082 GERRUDANBRXSKP-OAHLLOKOSA-N 417.553 0.242 10 10 HCCE CS(=O)(=O)NCC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 804329553 ODARCPGJDGKDLN-UHFFFAOYSA-N 405.498 0.165 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC[C@@]3(O)CCCOC3)CC2)cc1 1164440941 RPBLSWHJOGXHPP-DORXLWPQSA-N 417.506 0.948 10 10 HCCE O=C(CN1CCN(c2nc[nH]n2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1659224875 VCSXRGZUXCAWJN-UHFFFAOYSA-N 403.462 0.219 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)cc2)CC1 1683701830 MUGAOQRCZLSJSP-UHFFFAOYSA-N 421.527 0.101 10 10 HCCE COc1ccc(N2CCN(C(=O)CN(C)CCN3CCCS3(=O)=O)CC2)cc1 752084484 QNCHAWBNZMHUBK-UHFFFAOYSA-N 410.540 0.311 10 10 HCCE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cn1C 774606723 ZZASJHWMWFEKDI-UHFFFAOYSA-N 400.482 0.899 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 1296055241 RIAXACPBTUKPIM-YOEHRIQHSA-N 422.478 0.962 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCC3=NNC(=O)C3)CC2)cc1 1625583611 ARZSUHGITSBXCP-HJWRWDBZSA-N 413.478 0.672 10 10 HCCE NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827146 TVYIQBBQSBAAIX-YPKPFQOOSA-N 405.457 0.955 10 10 HCCE NC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O 40953273 NCOSLLNHKCFPFO-ZDUSSCGKSA-N 417.418 0.693 10 10 HCCE in-vitro COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C(=O)OC 1253512839 ZLXYIZDEMQJPDN-ROUUACIJSA-N 419.478 0.751 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCO[C@@H]3C)CC2)cc1 1461397866 OHKPKIFOFSJXRO-QAPCUYQASA-N 411.524 0.688 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@H]3CCCO3)CC2)cc1 1130865082 JDOWKSCJSXULDV-GOSISDBHSA-N 411.524 0.832 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCCS(=O)(=O)C[C@@H]3C)CC2)cc1 1176380643 FCSYMOWYHDUJHQ-PKOBYXMFSA-N 411.568 0.687 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3CC(N)=O)cc2F)C[C@@H](C)O1 1195233491 JJGKEKANKQMVEB-INMHGKMJSA-N 422.501 0.632 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cn(C)nc3OC)CC2)cc1 1456990663 FIVYRWYGYPESLF-HJWRWDBZSA-N 413.478 0.959 10 10 HCCE C[C@]1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1(=O)=O 1587035389 PVTRYVXNPUQDLB-QGZVFWFLSA-N 400.522 0.505 10 10 HCCE CO[C@]1(CO)CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1674276893 VQGLELWVMBCNOQ-LJQANCHMSA-N 411.524 0.604 10 10 HCCE CN(C)CCCN(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793722703 VYDSLYQWHYPUTQ-QGZVFWFLSA-N 403.527 0.415 10 10 HCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1303720375 DFXIAYLBKSLYCJ-QGZVFWFLSA-N 410.540 0.578 10 10 HCCE CN1CCN(C)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1479343826 MDFIPAFQJFAJIO-UHFFFAOYSA-N 416.570 0.777 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@H](CC(N)=O)C3)cc2F)C[C@@H](C)O1 1654418956 SWCJWVVQGZKURF-BFYDXBDKSA-N 422.501 0.632 10 10 HCCE COC(=O)N1CCC(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1672141974 KVKOLLOQCFZZEV-UHFFFAOYSA-N 424.523 0.951 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NCC3(CO)CCOCC3)CC2)cc1 749184825 AMVXDLSAXQSGBP-UHFFFAOYSA-N 406.527 0.906 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3cccn3)CC2)cc1 1531665135 MJPXXCQAVOTXAF-UHFFFAOYSA-N 407.496 0.160 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)cc2F)C[C@@H](C)O1 1630554231 AEFRCYAUJLPFCL-MJBXVCDLSA-N 419.461 0.247 10 10 HCCE CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 760863388 CUNWPYHEOFOFGC-IRXDYDNUSA-N 416.526 0.991 10 10 HCCE COc1cc(N2CCN(C(=O)CN3CCCCC(=O)C3=O)CC2)cc(OC)c1OC 1458763871 RCNXNHYWQWBWGI-UHFFFAOYSA-N 419.478 0.943 10 10 HCCE CCOC(=O)[C@H](COC)NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1558358165 YHUFLJAVNROZSR-LPADLIQXSA-N 419.478 0.594 10 10 HCCE COc1cc(N2CCN(C(=O)NCc3nc(N(C)C)n[nH]3)CC2)cc(OC)c1OC 1675685154 ACYDMFVPTDVGTA-UHFFFAOYSA-N 419.486 0.928 10 10 HCCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCS(C)(=O)=O)CC2)cc1 1868886663 UVEWNANFHBEJGS-UHFFFAOYSA-N 411.524 0.673 10 10 HCCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCNC(=O)C2)C1 769662459 CNPMXWVKZXANBY-UHFFFAOYSA-N 412.490 0.909 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3cncc(C)c3)CC2)cc1 803746278 DKCJAMBVRCPLNT-UHFFFAOYSA-N 411.506 0.953 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 1461340687 YJRPZPVAYRLUJS-RWQQGDIJSA-N 401.463 0.752 10 10 HCCE Cn1cc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(O)nc1=O 1256557068 JHSUZGXEXAHKBB-UHFFFAOYSA-N 401.467 0.694 10 10 HCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@]12COCCN1C(=O)OC2 1675403290 ZBQXWUYOEMKDBC-OAQYLSRUSA-N 418.494 0.916 10 10 HCCE CC(C)N1C[C@H](C(=O)NC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169862658 LQSBZBYCSWJUDT-CYBMUJFWSA-N 405.451 0.781 10 10 HCCE CC[C@@H](CO)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 743859534 XSKITIXRQFUNQM-SFHVURJKSA-N 408.518 0.667 10 10 HCCE C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C[C@H](O)C[C@H]1C(N)=O 1196113705 GSGUERZOJGGMJY-QFSBIZTOSA-N 407.426 0.710 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCn1cc(C(N)=O)nn1 1229970589 MZMNOABSUNZQNI-UHFFFAOYSA-N 415.498 0.835 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCS(=O)(=O)C3CC3)CC2)cc1 1638066106 CRRIIUQVBKUGRM-HJWRWDBZSA-N 421.519 0.593 10 10 HCCE CCOC(=O)COCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682464179 DRVXFVWZWLYLEI-UHFFFAOYSA-N 413.496 0.300 10 10 HCCE CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(N(C)C)cc1C 1764940159 QSGOKGNIRYWODF-QGZVFWFLSA-N 411.510 0.410 10 10 HCCE C[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 726977071 WYVKUNKWGKGFHT-HNNXBMFYSA-N 401.554 0.988 10 10 HCCE Cc1cc(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(C)n1-c1ccc2c(c1)OCO2 766912118 BCXWHQXGGIBTKV-INIZCTEOSA-N 424.457 0.648 10 10 HCCE COc1ccc(N2CCN(C(=O)COC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 772050702 GWIANONCIKIONX-UHFFFAOYSA-N 403.395 0.843 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)C2)cc1 1436971622 OBRZTKCTHXSXON-LPHOPBHVSA-N 402.495 0.765 10 10 HCCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1=O 1462486941 OIIIBUPTPQODMA-SFHVURJKSA-N 402.495 0.466 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)cc2)CC1 1558397260 NSZQOPQMSRLUIM-MOPGFXCFSA-N 424.505 0.434 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)N(C)C)cc1 1685608599 DVTDPVCEETXKAE-UYAOXDASSA-N 424.567 0.954 10 10 HCCE COCCn1cc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1686255323 JGUUCEVXPSBZTA-UHFFFAOYSA-N 421.523 0.764 10 10 HCCE COc1ccc(N2CCCN(C(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)cc1 1625249068 PJUCZYLJMVDHJM-UHFFFAOYSA-N 419.507 0.878 10 10 HCCE CCCNC(=O)COc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1872674267 JIUVINBGHQPZSR-UHFFFAOYSA-N 403.439 0.946 10 10 HCCE CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1256237276 VYAPPXBKHRKJNM-VQTJNVASSA-N 407.559 0.690 10 10 HCCE NS(=O)(=O)C1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 1470448912 DMJOMHPHDYNPQY-UHFFFAOYSA-N 418.466 0.812 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3S(N)(=O)=O)cc2F)C[C@H](C)O1 1542113501 ZXEGLYDJSLHJMB-QWRGUYRKSA-N 411.459 0.740 10 10 HCCE CCO[C@@H]1COC[C@H]1NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1556614808 BTYULUJIKVBJLO-TYFAACHXSA-N 403.479 0.820 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)n3cncn3)CC2)cc1 1586837189 VOOPXEWYZNOCLM-OAHLLOKOSA-N 422.511 0.116 10 10 HCCE CO[C@@]1(CO)CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1674276892 VQGLELWVMBCNOQ-IBGZPJMESA-N 411.524 0.604 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3OC)CC2)c(OC)c1 1682617886 JHEHNPUNYNWXMS-WMLDXEAASA-N 413.496 0.347 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)C2)cc1 1683944949 NPKVYBKXRKGEBE-ZDUSSCGKSA-N 418.541 0.631 10 10 HCCE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)nc12 919804368 MBVYVYHRJLBTEX-CQSZACIVSA-N 417.466 0.682 10 10 HCCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc(N2CCCC2)cc1 1136190122 SDGVCMJSYHMQMO-UHFFFAOYSA-N 410.540 0.737 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)N(C)C)cc1 1685495699 BPYQYQHXZUWYRY-OAHLLOKOSA-N 423.543 0.517 10 10 HCCE [N-]=[N+]=NCCN(CCC(=O)O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086865128 NSYJLDVYKNFBMS-ZDUSSCGKSA-N 414.378 0.679 10 10 HCCE CC1(C)OC(=O)C(=CN2CCNC(=O)[C@H]2CC(=O)OCCc2ccccc2)C(=O)O1 10213553 RXFUKMLNMSSBCA-MRXNPFEDSA-N 416.430 0.683 10 10 HCCE CCN1C[C@@H](CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1165357720 XBOOITASBLFWPG-KBOKABMXSA-N 414.506 0.885 10 10 HCCE O=C(NCCC1CS(=O)(=O)C1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1234316545 HZMGEZLETMHBLP-UHFFFAOYSA-N 415.537 0.155 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2)cc1F 1251277242 HTRNGPDFUYKVFB-UHFFFAOYSA-N 403.480 0.062 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C(=O)C4CC4)C3)CC2)cc1 1299536112 SXSTZZVIAUDFMY-CMDGGOBGSA-N 412.490 0.938 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)CC2)cc1 1300220594 ARFMIWHKMTVULY-MEFIRYAYSA-N 403.504 0.632 10 10 HCCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1640232213 LBGAKMQPYLVSDS-KSSFIOAISA-N 422.555 0.572 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)cc2)CC1 1687441556 QRZNSCRJYAPZAM-IBGZPJMESA-N 415.538 0.611 10 10 HCCE Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1301348948 BSXUTICPKSYXRS-UHFFFAOYSA-N 418.519 0.825 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)N(C)C)cc1 1586060051 AWPNKHAREZBDQB-RDJZCZTQSA-N 401.471 0.485 10 10 HCCE CN(C)c1ccc(CNC(=O)CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1620622933 GRFYDFQTONJQRI-UHFFFAOYSA-N 410.526 0.836 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](O)C(C)(C)C)CC2)cc1 1632291446 USXKWGSVEUUFPP-QGZVFWFLSA-N 413.540 0.670 10 10 HCCE O=C(CNS(=O)(=O)c1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1 1641204011 OINFWHAFPAXNEI-UHFFFAOYSA-N 404.492 0.637 10 10 HCCE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 728748121 UMIHEWXXQIHHRO-WBVHZDCISA-N 404.467 0.472 10 10 HCCE COC/C(C)=C\C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1130865537 OZTNIHVEQSWNQR-PEZBUJJGSA-N 411.524 0.856 10 10 HCCE CN1CCN(c2ccc(CNC(=O)NCC3(S(=O)(=O)N(C)C)CC3)cc2)CC1 1565272943 HTLGZUKTWXMCAN-UHFFFAOYSA-N 409.556 0.662 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3COCCN3CC(F)F)cc2)C1 1625271936 UXSLNMIXWIZINH-DOTOQJQBSA-N 410.465 0.970 10 10 HCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CS(N)(=O)=O)cc2)C1 785864913 PVQKJWWYVYQNPR-NVXWUHKLSA-N 423.539 0.351 10 10 HCCE CCN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCCN(C)C)cc2F)CC1 805008023 YBNNGYODWXEINT-UHFFFAOYSA-N 407.534 0.994 10 10 HCCE NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cn1 1141926518 IHQRAJXBELBJMF-UHFFFAOYSA-N 412.418 0.774 10 10 HCCE COc1ccc(C(=O)NC2=S=C(C(=O)NCC(=O)N=S(C)(C)=O)C=C2)cc1 1469262278 PWGRXOFYCLRFHF-UHFFFAOYSA-N 409.489 0.401 10 10 HCCE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1510674806 QWOLWTBJSARYCL-UHFFFAOYSA-N 424.513 0.345 10 10 HCCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCNS(=O)(=O)N(C)C)cc1 1556517664 LTSLSOPVWYMUAQ-UHFFFAOYSA-N 406.508 0.961 10 10 HCCE COC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1565363329 NAIRWGMARDDQOO-GOSISDBHSA-N 418.494 0.862 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(N4CC[C@@H](O)C4)CC3)CC2)cc1 1620437141 RFZVLRCILCLUAL-YADHBBJMSA-N 418.582 0.709 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@@H]3CCc4nnnn4CC3)CC2)c(OC)c1 1682111186 UZEJWGJZRKZGNM-CQSZACIVSA-N 401.471 0.927 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 729499185 AHAGPSQRAXHHNB-FPOVZHCZSA-N 417.554 0.980 10 10 HCCE CNC(=O)Cn1cnc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 782773720 KOTJIURXWHJRJH-UHFFFAOYSA-N 423.477 0.729 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)CC2)cc1 803746529 DHLPOKQUGATBDB-JOCHJYFZSA-N 416.522 0.572 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)cc1 1230857971 GRBJINZQPMZYHO-CQSZACIVSA-N 411.466 0.557 10 10 HCCE CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252761120 QSISBZQCTJNWSE-HNNXBMFYSA-N 414.528 0.217 10 10 HCCE O=S1(=O)CCC(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1318151403 NQWOOTGSAPODQP-UHFFFAOYSA-N 406.501 0.659 10 10 HCCE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CN1C(=O)C(=O)N(C)C1=O 1448686720 OBOXEFQUSMKVKY-UHFFFAOYSA-N 418.450 0.796 10 10 HCCE CCOc1ccc(N2CCN(C(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 1566562375 HZOYHXGWEVYARK-INIZCTEOSA-N 400.439 0.748 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)cc2)CC1 1567591528 HSWOGWHYYVINJI-UHFFFAOYSA-N 408.462 0.930 10 10 HCCE C/C(=C/C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CN1CCOCC1 1584064485 SJHBLOQBFBJVRI-VKAVYKQESA-N 407.536 0.816 10 10 HCCE CO[C@@]1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCS(=O)(=O)C1 1616253082 ZXMUHLKBJAPPON-IBGZPJMESA-N 409.508 0.175 10 10 HCCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865033007 PRHKXJJTQRRCJF-MRXNPFEDSA-N 413.478 0.862 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)cc1 803746127 AIPVSQWZIDLVSO-QGZVFWFLSA-N 418.538 0.959 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)nn2)O1 1136960859 GKUPEUNTFLXHMI-KRWDZBQOSA-N 414.466 0.525 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCS(=O)(=O)CC(F)(F)F)c1 1632288322 VYWLLQDKPVDNHP-UHFFFAOYSA-N 404.388 0.471 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)c3nc4ncc(CCO)cn4n3)cc2)CC1 1634974538 YLPUMEJYOOSPSN-UHFFFAOYSA-N 423.477 0.291 10 10 HCCE COc1ccc(N2CCN(C(=O)NCc3nnc4c(=O)n(C)ccn34)CC2)cc1F 1683683468 OYTQDFJHDAFWCY-UHFFFAOYSA-N 415.429 0.608 10 10 HCCE C[C@H](CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N1CCN(C)CC1 1687632340 PSZWPJSHMVXULA-QGZVFWFLSA-N 416.570 0.823 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)CC2)cc1 1303831798 ZUIVDHUXQIALKH-MXMYZGJZSA-N 417.506 0.681 10 10 HCCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-n4[nH]nnc4=N)c3)c2)CC1 1567652567 HAGJLXFTPQUWOT-UHFFFAOYSA-N 406.450 0.996 10 10 HCCE COc1cc(N2CCN(C(=O)[C@H]3CCc4nnc(O)n4C3)CC2)cc(OC)c1OC 1624804888 NIZNEBGOGYWZDU-ZDUSSCGKSA-N 417.466 0.921 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nc(O)cc(O)n3)CC2)cc1 1641493641 VUKHNMVLHPGHIL-SREVYHEPSA-N 413.434 0.418 10 10 HCCE CCS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312861630 DXIFOQMGFDXNPE-UHFFFAOYSA-N 417.553 0.545 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cc2)CC1 1683702047 VCKSGHVKXDWWHM-UHFFFAOYSA-N 411.510 0.730 10 10 HCCE NC(=O)CCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945045 TVYIQBBQSBAAIX-UHFFFAOYSA-N 405.457 0.955 10 10 HCCE COCCN1CC[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 736656143 CYOZNULOPHYRFN-GOSISDBHSA-N 405.543 0.837 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@]3(CCO)CCOC3)CC2)cc1 762270876 FXCJAEFOXSCVJA-NRFANRHFSA-N 406.527 0.906 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H](CO)[C@@H]3CCOC3)cc2)CC1 1255508905 IWMBZVFVYJIMEY-MSOLQXFVSA-N 404.511 0.833 10 10 HCCE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1534362695 SYASAIOKKHULTE-UHFFFAOYSA-N 416.415 0.256 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(C=O)CC4)ncn3)CC2)cc1 1858247853 TXQNAZKOVKOUQJ-UHFFFAOYSA-N 410.478 0.726 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)n3cnc4c(N)ncnc43)cc2)CC1 1447716429 WUKGIYVVOOSTSQ-CQSZACIVSA-N 422.493 0.954 10 10 HCCE CCCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1468853126 KCINUDFXRIRQBY-GOEBONIOSA-N 401.506 0.898 10 10 HCCE C[C@@H]1CN(c2ccc(CNC(=O)CN[C@]3(C(N)=O)CCOC3)cc2F)C[C@@H](C)O1 1559947541 VZVQWFLYJAPRKC-ARGWCVDVSA-N 408.474 0.290 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)N(C)C)cc1 1637004878 UYWWPUHCRKDDSE-GOSISDBHSA-N 411.572 0.049 10 10 HCCE COc1ccc(N2CCN([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c(OC)c1 1648084255 LSLSUXIIXYHEOP-HOTGVXAUSA-N 404.511 0.938 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN(c4nccnn4)CC3)cc2)CC1 1684175866 QZTXAVWXFKPXKZ-UHFFFAOYSA-N 424.509 0.605 10 10 HCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 790562654 ZPBZHSYGAYRGJI-VGOFRKELSA-N 412.490 0.617 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 804693475 VSHIXAHVRXBDHF-LBPRGKRZSA-N 405.498 0.308 10 10 HCCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccnc(N4CCOCC4)n3)cc2)C1 1351134890 LKILSTYFYATIMU-KRWDZBQOSA-N 424.505 0.945 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(CO)(CO)CC1 1565044557 OYULGSFYJLEJIA-UHFFFAOYSA-N 411.524 0.198 10 10 HCCE Nc1ccc(-n2nnc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 1857878908 NRKZUJIILBGXBJ-UHFFFAOYSA-N 407.434 0.931 10 10 HCCE COC(OC)C(=O)N1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1256236657 JMPBUIYLFDNHMW-GOSISDBHSA-N 421.542 0.828 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)nn2)O1 1535345752 NCLBZRSBFYCBNO-LBPRGKRZSA-N 422.392 0.431 10 10 HCCE C[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@]1=O 1636796348 DJXYIVVVHJITFP-PVPMGCCUSA-N 413.565 0.974 10 10 HCCE O=C(CN1CCC[C@H]2CCNC(=O)[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 1654617049 VDWLITXFPODHQU-JXFKEZNVSA-N 404.486 0.879 10 10 HCCE COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@H](O)CN3CCOCC3)C2)cc1 1682188478 RSXQOTJUVPCOED-MJGOQNOKSA-N 406.527 0.856 10 10 HCCE CO[C@H]1COCC[C@@H]1N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682582792 JHUSTHDSTQPLJD-ROUUACIJSA-N 411.524 0.867 10 10 HCCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864019354 JJNSZULGXAQBJG-HNNXBMFYSA-N 415.450 0.341 10 10 HCCE COc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CCN(C)C)c3)CC2)cc1F 768730081 ADNNQOGYVGZLCN-UHFFFAOYSA-N 418.473 0.880 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)CC1 1462806272 LOXFXPHSUGSHOE-UHFFFAOYSA-N 409.450 0.089 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@@H](c3cncn3C)N(C)C)CC2)cc1 1464537407 FJYCRTNDILXSBV-HXUWFJFHSA-N 400.527 0.970 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCOC(C)(C)[C@@H]3C)CC2)cc1 803746825 IEVJDPLCUQFBQQ-KRWDZBQOSA-N 418.538 0.959 10 10 HCCE O=C(CN1CCOC[C@@H]1c1ncno1)NCc1ccc(N2CCOCC2)c(F)c1 1170129678 XXRDGLHNQTUNCD-QGZVFWFLSA-N 405.430 0.735 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1noc2c1COCC2 1470752267 HPWWZFPFAFJAPN-UHFFFAOYSA-N 420.491 0.982 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=CCOCC3)CC2)cc1 1527892951 VYUPQTYJAOMUFZ-UHFFFAOYSA-N 409.508 0.610 10 10 HCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1C(=O)CCNC1=S 1632355891 GJHQMKFMFZVLJZ-LBPRGKRZSA-N 409.464 0.185 10 10 HCCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1639621390 CDNDWLDNLCBIRK-LSDHHAIUSA-N 403.460 0.592 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868589803 QHGLFVNJFJYCLU-HOTGVXAUSA-N 423.535 0.673 10 10 HCCE COc1cc(C=C2SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 2318684237 VOMZCQXIHPEWJN-QMMMGPOBSA-N 400.390 0.956 10 10 HCCE CC1=C(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)S(=O)(=O)CCO1 1644863823 UTSLMUMRWYSUAQ-UHFFFAOYSA-N 407.492 0.681 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H](O)C[C@]3(C)CO)CC2)cc1 1645960746 PFVZMDHELWGHCB-ILLWNSAZSA-N 403.479 0.244 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 1662777565 PTAFUEBBYOHJRM-IBGZPJMESA-N 420.535 0.538 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCC[C@H](S(=O)(=O)N(C)C)C3)CC2)cc1 796129799 UHEBVVVFBFRFCW-IBGZPJMESA-N 424.567 0.700 10 10 HCCE Cn1ncc2c(=O)n(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cnc21 917833986 FSISWRSYBGWEMK-OAHLLOKOSA-N 423.477 0.148 10 10 HCCE CC[C@H](O)[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1165639162 PMDBFXSLKXHHAR-QAPCUYQASA-N 413.540 0.670 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)N(C)C)cc1 1471542909 DWTYELURVZAOEJ-HXUWFJFHSA-N 416.570 0.961 10 10 HCCE CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1OC 1478472170 MTYYYNSYDIFCGM-RCCFBDPRSA-N 411.524 0.913 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@](CO)(OC)C3)CC2)cc1 1557410097 DBSQCTKOBLMCLP-HYGBKTPJSA-N 417.506 0.900 10 10 HCCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(C(N)=O)oc3C)cc2)CC1 1561468594 HYIXCZZVVARAAM-UHFFFAOYSA-N 420.491 0.834 10 10 HCCE COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)cc1 1687022592 CZNCVHIUCREJNL-AWEZNQCLSA-N 401.467 1.000 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1696701276 ZOMVSMHCRGMWLC-OAHLLOKOSA-N 417.495 0.814 10 10 HCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1313169134 VMNQXYNDVPCLRZ-SJLPKXTDSA-N 418.494 0.766 10 10 HCCE CN(C)CCN1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O 1313416919 PLFDQHXOXOBMJG-IBGZPJMESA-N 404.559 0.771 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 1461340640 YJRPZPVAYRLUJS-FPAYPSAMSA-N 401.463 0.752 10 10 HCCE CCCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1468853125 KCINUDFXRIRQBY-GDBMZVCRSA-N 401.506 0.898 10 10 HCCE CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1674712082 HPWMGRPSEDWNHR-FQEVSTJZSA-N 406.527 0.482 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)CN1CCO 1685330948 IMRFLXQJZFZPRQ-DLBZAZTESA-N 417.554 0.985 10 10 HCCE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)CCOc1ccc(N)cc1 2163011130 VAWKPOXGYUVCJE-AWEZNQCLSA-N 403.501 0.795 10 10 HCCE COc1cc(C=C2SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)cc(OC)c1O 2314540910 AYZSVNMLMOKKHN-MRVPVSSYSA-N 412.445 0.939 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C(=O)C2CC2)CC1 1478944486 DEAGHVSTTQWDDR-UHFFFAOYSA-N 420.535 0.685 10 10 HCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856612060 RTIAOYUQHBDORF-LSDHHAIUSA-N 418.475 0.754 10 10 HCCE C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O 1641200377 ISIYGDGRMGXBOG-NRFANRHFSA-N 400.479 0.984 10 10 HCCE NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 785864746 QAMQRVBWEXXMMV-AWEZNQCLSA-N 414.503 0.749 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@@H](F)C3)CC2)cc1 1252760538 MZCXAEPHUPHULQ-OAHLLOKOSA-N 414.503 0.900 10 10 HCCE COCc1n[nH]c(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1469878839 KMUNQEGCBSHDFD-BQYQJAHWSA-N 414.466 0.481 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)NCc2nnc3n2CCNC3=O)N(C)C)cc1 1565277977 GEVROCSAZJOVFS-OAHLLOKOSA-N 400.487 0.190 10 10 HCCE CS(=O)(=O)NC1CC(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1634582673 LMILQRIPLONOQQ-UHFFFAOYSA-N 418.466 0.681 10 10 HCCE COc1ccc(N2CCN(CC(=O)N3CCC[C@H](NC(C)=O)C3)CC2)c(OC)c1 1659857169 HGBGLPGWUCOHFC-KRWDZBQOSA-N 404.511 0.953 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3OC)CC2)c(OC)c1 1682617887 JHEHNPUNYNWXMS-YOEHRIQHSA-N 413.496 0.347 10 10 HCCE COCCNC(=O)COc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1872686600 SMEWJPYXBVXCFO-UHFFFAOYSA-N 419.438 0.182 10 10 HCCE O=C1Nc2ccc(F)cc2C1=c1sc2n(c1=O)CN(c1ccc3c(c1)OCO3)CN=2 254443366 ZDQPADFFKIIHPG-UHFFFAOYSA-N 424.413 0.984 10 10 HCCE COc1ccc(N2CCN(C(=O)c3c4c(nn3C)CCS(=O)(=O)C4)CC2)cc1 1127276793 MIRCYLYMGNDQCI-UHFFFAOYSA-N 404.492 0.862 10 10 HCCE CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1303085323 OHOSGZWXSKBUCL-UHFFFAOYSA-N 409.556 0.231 10 10 HCCE CN(C)S(=O)(=O)C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1565127102 JMEZQRBPMNADQQ-UHFFFAOYSA-N 410.540 0.871 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCCN(C(=O)CNC(C)=O)CC3)C2)cc1 1674326646 KVRJRKSMADBIBP-QGZVFWFLSA-N 417.510 0.654 10 10 HCCE Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1O 775654456 KZPWBPRWPCBYRS-UHFFFAOYSA-N 402.948 0.964 10 10 HCCE CC[C@@H](O)[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1165639161 PMDBFXSLKXHHAR-MAUKXSAKSA-N 413.540 0.670 10 10 HCCE COC[C@@H]1C[C@@H](O)CN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1300246830 OFOJPZPPZIVZQN-KBSZCIAZSA-N 403.479 0.508 10 10 HCCE CC(=O)N1C(=O)C(=C2SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)c2ccccc21 2314541489 MNXBXMQPECEOTR-JTQLQIEISA-N 419.440 0.480 10 10 HCCE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCCc1ccc(O)c(O)c1 2360622987 WZWIEHQKDCLTEP-GFCCVEGCSA-N 402.469 0.694 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)cc2F)C[C@@H](C)O1 1141900937 AEFRCYAUJLPFCL-HZSPNIEDSA-N 419.461 0.247 10 10 HCCE CCN(CC)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1146355605 LWFZGSYZCSFLOU-UHFFFAOYSA-N 412.556 0.605 10 10 HCCE NS(=O)(=O)CCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1464230390 BSYIYYLNQCSOGS-FMIVXFBMSA-N 417.509 0.822 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCN3C)CC2)cc1 1628747722 NYDYSXFROGXTLQ-SFHVURJKSA-N 410.540 0.357 10 10 HCCE CCS(=O)(=O)C1CN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1635437844 IDDIEMNRUSSABH-HJWRWDBZSA-N 421.519 0.546 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](C2OCCO2)C1 1674276663 NJIZFOBPWNEDJJ-INIZCTEOSA-N 409.508 0.826 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)N(C)C)cc1 1687807090 NWPDIIUWTQJCMD-HXUWFJFHSA-N 407.559 0.691 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)OCC[C@H]4C3)CC2)cc1 754080319 FCXJXAHEOAFWPN-OALUTQOASA-N 404.511 0.705 10 10 HCCE CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)ccc1O 790405505 KFPUXVPLTGBLIV-UHFFFAOYSA-N 400.434 0.888 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3cc(C)ncn3)CC2)cc1 803746499 HMIWHBKLOHZNMR-UHFFFAOYSA-N 412.494 0.348 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C(=O)N(CC(C)(C)O)C3CC3)CC2)cc1 803746687 GUMQTTSLCUDCBD-UHFFFAOYSA-N 418.538 0.695 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CCN(C)C(=O)C3)CC2)cc1 1142748588 FDRJAIWGQGRPNW-OZSKJFCKSA-N 414.506 0.885 10 10 HCCE CS(C)(=O)=NC(=O)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1479083263 XIUYFYWQDLMIIJ-UHFFFAOYSA-N 409.512 0.442 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3ccc(S(N)(=O)=O)cn3)CC2)cc1 769737390 FCGUHQSFZYIUOC-UHFFFAOYSA-N 419.507 0.290 10 10 HCCE CNC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 918121500 HMDJCRLYIZAEIH-HNNXBMFYSA-N 413.482 0.653 10 10 HCCE CC(=O)N1CCCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1478944684 GQSBOVKHDKVLAC-UHFFFAOYSA-N 408.524 0.685 10 10 HCCE O=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1618648991 WCMCEWCLGVHUTA-UHFFFAOYSA-N 400.414 0.308 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)c3cncn3C)CC2)cc1 1630599688 QXEBERTUIVBNIC-JTHGQSKGSA-N 413.478 0.483 10 10 HCCE Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1C 1647080744 HTWRULQKTFCEKD-KRWDZBQOSA-N 422.555 0.492 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1767111678 BFLDECRJTODHHH-GFCCVEGCSA-N 408.409 0.953 10 10 HCCE O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 768264431 PATCYAAVQOBXBI-UHFFFAOYSA-N 410.540 0.218 10 10 HCCE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(O)c2O)CC3)CC1 790964564 YLYFQROJIHIUJW-CQSZACIVSA-N 413.478 0.674 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC[C@H]3C(=O)NN=C3C)CC2)cc1 1136653712 FIBZZNSLWMROAU-JTHGQSKGSA-N 413.478 0.528 10 10 HCCE CNC(=O)N[C@@H]1CCCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1560141973 IEMWCNIOLGKZNC-MJGOQNOKSA-N 405.543 0.572 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)n3cccn3)CC2)cc1 1616824994 UYAYJRKDIHSQLO-INIZCTEOSA-N 421.523 0.721 10 10 HCCE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248227889 JWWHULJRGLHMCL-KZDUYQQSSA-N 420.418 0.745 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3c4c(nn3C)CCS(=O)(=O)C4)C2)cc1 1278861906 QMKOUVCQAMEXPQ-CYBMUJFWSA-N 404.492 0.908 10 10 HCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1455866499 NBEVFZXSPKRLAU-UHFFFAOYSA-N 410.540 0.722 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCCn3c(O)nnc3O)CC2)cc1 1464536671 AORINWGCXBUMHT-UHFFFAOYSA-N 404.471 0.417 10 10 HCCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1545632199 FFQNYMOBWCQBFX-SWLSCSKDSA-N 421.889 0.318 10 10 HCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc1 1557356045 LSECZTMEQDQZMK-GUDVDZBRSA-N 415.494 0.514 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCCO3)CC2)cc1 1586837148 VLAHTFBTNNKWAS-GOSISDBHSA-N 411.524 0.832 10 10 HCCE Cn1cc(C[C@H](O)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 786866018 YWRRJNNUQSKBAX-SFHVURJKSA-N 420.441 0.159 10 10 HCCE CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1256237274 VYAPPXBKHRKJNM-PMACEKPBSA-N 407.559 0.690 10 10 HCCE C[C@@]1(CCCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)NC(=O)NC1=O 1558397859 SIAMXAZFWIRGLK-NRFANRHFSA-N 415.494 0.773 10 10 HCCE Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1626090639 PRABNHGTFTWNAA-UHFFFAOYSA-N 422.489 0.892 10 10 HCCE CCNC(=O)C(C)(C)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1629412902 SCPMWZMVZLQQCQ-ZHACJKMWSA-N 402.495 0.931 10 10 HCCE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 787044934 WXZRBQFXAVORJM-LSDHHAIUSA-N 406.483 0.779 10 10 HCCE COC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CS(=O)(=O)C1 1150353324 DFGFDBDFOHKNFF-CQSZACIVSA-N 402.900 0.940 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)CCC(=O)N3CCC(O)CC3)cc2)CC1 1178039526 XHOIQDUQBKLVCN-UHFFFAOYSA-N 416.522 0.768 10 10 HCCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)N(C)C)cc1 1586054637 KZNHPEGGCMOXIW-AZNNDXHDSA-N 414.506 0.634 10 10 HCCE C[C@@]1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1(=O)=O 1587035388 PVTRYVXNPUQDLB-KRWDZBQOSA-N 400.522 0.505 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CCCN1CCCO 1636796360 DZOJCTNUSOSKLC-LJQANCHMSA-N 424.567 0.567 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)c(OC)c1 1674396083 VEPHNYNDUILMER-SFHVURJKSA-N 419.526 0.875 10 10 HCCE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2c(O)cccc2O)c1 1178906045 YNUBXJGTMXKNNN-UHFFFAOYSA-N 407.448 0.394 10 10 HCCE CNC(=O)[C@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1 1729676493 CIUJDZNRNPZRIQ-GOSISDBHSA-N 400.483 0.423 10 10 HCCE C[C@H](Cc1ccc(O)c(O)c1)NCCCCn1cnc2c1c(=O)n(C)c(=O)n2C 33829327 QWRIAOHTPJETEM-CYBMUJFWSA-N 401.467 0.846 10 10 HCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C[C@@H]12 1470905701 SOROVUKVABKIKX-OTWHNJEPSA-N 423.535 0.601 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N=S3(=O)CCOCC3)CC2)cc1 1558717589 PQDZTQNXTDGCEP-SREVYHEPSA-N 407.492 0.925 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H](CO)C3CCOCC3)cc2)CC1 1565363837 ZJADWCKSTWRPFT-LJQANCHMSA-N 404.511 0.975 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 1598029069 QILXHXNPYIYQPE-KRWDZBQOSA-N 424.567 0.605 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 1683782542 PWQVKTLXDYAVCD-OAHLLOKOSA-N 411.528 0.408 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1CCC[C@@H](C(=O)OC)C1=O 1162540145 QSRGAOUGXVSGIL-OAHLLOKOSA-N 406.435 0.696 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COCC3CC3)CC2)cc1 1278549027 LSNCTYPOVJVHIB-UHFFFAOYSA-N 411.524 0.690 10 10 HCCE NC(=O)c1cn(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)nc1O 1543098927 PSTIFKJRIAQQCZ-UHFFFAOYSA-N 417.491 0.308 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NOCCN3CCCC3=O)CC2)cc1 1641575071 JYSHMLODHIXFJS-HJWRWDBZSA-N 416.478 0.570 10 10 HCCE COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3C(=O)NCC34CCOCC4)CC2)cc1 1654909376 JOBCRDHXXWCYRE-ICSRJNTNSA-N 418.538 0.063 10 10 HCCE COC(=O)COCCNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1687254974 CCOPAKMVEJHBKJ-UHFFFAOYSA-N 411.455 0.734 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)[C@@]3(F)CCS(=O)(=O)C3)CC2)cc1 1352408916 GGBKZJGUAANIHB-LJQANCHMSA-N 413.515 0.850 10 10 HCCE NS(=O)(=O)C1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1470449550 UYPHPCYXYWYBDQ-UHFFFAOYSA-N 418.466 0.764 10 10 HCCE O=C(CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC(F)F 1565044030 IFIBVHIEILQAMX-UHFFFAOYSA-N 404.439 0.102 10 10 HCCE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@@](=O)C1 1565044160 JHMHJNNEZDTDRD-QWXGXRTQSA-N 413.565 0.831 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CO)[C@H]3CCCOC3)CC2)cc1 1626480409 SAPLFKFOKYPTJK-XGKTYTASSA-N 417.506 0.804 10 10 HCCE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)O1 1646250866 LWTHDPPFEFOCRQ-JLJPHGGASA-N 414.480 0.799 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H](OCCO)C1 1683731752 WTOSXYMKBFYMKE-SFHVURJKSA-N 411.524 0.604 10 10 HCCE CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1312536515 GTMBQQPCOUPQOA-MRXNPFEDSA-N 424.523 0.951 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4[C@H](OC)CS(=O)(=O)[C@H]4C3)C2)cc1 1312995546 WWFQKMKIKKTVSV-RNJTYBCJSA-N 409.508 0.727 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H](O)CN1c1ccncn1 1566023386 SQDMWCSBZBPRIO-LPHOPBHVSA-N 415.469 0.833 10 10 HCCE COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c(O)c1 1635042779 SHJZCDIOUTVELX-BONVTDFDSA-N 400.478 0.806 10 10 HCCE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(=O)N1CCOCC1 1693459178 CCGWLNZBJWDAEU-UHFFFAOYSA-N 414.510 0.918 10 10 HCCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)nn2)O1 1125188529 RUFXEDKIFMOEQS-ZDUSSCGKSA-N 404.402 0.292 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)cc1 1142565713 HDBJLSRYKJAILX-LJQANCHMSA-N 410.540 0.405 10 10 HCCE COc1ccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c(O)c1 1255224217 HXKKTSDNTFXRDP-UHFFFAOYSA-N 414.462 0.975 10 10 HCCE CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCN(c4ccc(OC)cc4)C3)CCN2C1=O 1478955961 AZHALZRWZJWJBF-WMLDXEAASA-N 401.467 0.952 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)cc1 1564962135 GKLRDEFUKIKFLK-YJBOKZPZSA-N 411.524 0.977 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)cc1 1630618857 KNGQHPMZBCASJY-INIZCTEOSA-N 410.540 0.215 10 10 HCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1643244984 IAZAJZAYQYFTNT-RGCFKVTRSA-N 416.430 0.446 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](C2OCCO2)C1 1674276664 NJIZFOBPWNEDJJ-MRXNPFEDSA-N 409.508 0.826 10 10 HCCE COc1ccc(N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)cc1F 1686760593 WLAIZIVFISCMNP-UHFFFAOYSA-N 419.461 0.837 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C(F)(F)CO)nn3)cc2)CC1 1632950440 RZOLAKIADCUPSR-UHFFFAOYSA-N 408.409 0.418 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(=O)N(C)CC3)CC2)cc1 1641276514 SXCHXWSDIOVCRW-FPLPWBNLSA-N 400.479 0.591 10 10 HCCE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1660283976 NLUGWAOOWUGKFK-OAHLLOKOSA-N 413.515 0.788 10 10 HCCE COc1ccc(N2CCN(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)c(OC)c1 1683564787 ITVDKQXFSYZYIA-AWEZNQCLSA-N 412.512 0.569 10 10 HCCE COc1ccc(CCN2C(=O)NC(=O)C(=CNC[C@@H]3CCCO3)C2=O)cc1OC 2296940848 YEDWGNBVTLBRSG-AWEZNQCLSA-N 403.435 0.977 10 10 HCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 767778474 KJMDCMNBMAPFJQ-XHSDSOJGSA-N 424.519 0.866 10 10 HCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1564945319 NKSNRGGWRYHYMI-MRXNPFEDSA-N 414.514 0.533 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)N(C)C)cc1 1586060112 CSZHCTXCJSMVIJ-QGZVFWFLSA-N 420.539 0.616 10 10 HCCE COCC(COC)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1684973322 OVHJHSCWICIWJB-UHFFFAOYSA-N 419.570 0.927 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 762924884 HWDVQAJKQRCKQZ-IJEWVQPXSA-N 407.490 0.798 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)cc1 778286764 FDMYKRIPVFAHSI-DZZUKKPASA-N 400.479 0.637 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc2)CC1 1625198138 BSZZFWJTAIMGIF-SFHVURJKSA-N 420.510 0.857 10 10 HCCE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cc(O)ccc2O)cc1 1633594863 ASEYEZFLQQHUCD-UHFFFAOYSA-N 407.448 0.993 10 10 HCCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NN1CCN(C)CC1 2313682571 GFAMMCQGBRBFHZ-UHFFFAOYSA-N 416.438 0.887 10 10 HCCE CC(C)(C)N1C[C@@H](C(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1=O 169824292 VSCHCZZDTBAIJG-ZDUSSCGKSA-N 405.451 0.735 10 10 HCCE C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 918642993 HINOOOGBDIHSLC-QFBILLFUSA-N 423.560 0.992 10 10 HCCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1cc(C(N)=O)c(O)nc1=O 1136335382 XNIOWHIPSSSCKO-UHFFFAOYSA-N 401.467 0.941 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cncnc3C)CC2)cc1 1538445960 YAAIMORJHHYQHB-UHFFFAOYSA-N 419.507 0.675 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 1617262956 PRWNAQICDZMCML-CYBMUJFWSA-N 409.446 0.650 10 10 HCCE O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1cc(F)c(N2CCOCC2)c(F)c1 1436623732 HLEJDAKNDAUJTC-UHFFFAOYSA-N 404.377 0.502 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1nnc(O)n1C1CC1 1637903212 XXWCSUQDNWWCBY-UHFFFAOYSA-N 420.495 0.553 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@H](CC(N)=O)C3)cc2F)C[C@@H](C)O1 1654418957 SWCJWVVQGZKURF-HLLBOEOZSA-N 422.501 0.632 10 10 HCCE CS(=O)(=O)CC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)COC1 1638688483 VBOLSIAFQAYEAE-UHFFFAOYSA-N 404.435 0.479 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC(N4CC[C@@H](O)C4)C3)cc2)CC1 1685244947 ZAGHKXUZQBAJLD-LJQANCHMSA-N 401.511 0.349 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC[C@@H](C)O)CC2)cc1 1686983996 IYAJSGFRIRIDNA-OAHLLOKOSA-N 414.528 0.217 10 10 HCCE COc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc1F 1294823724 MIDURGAAOKZPCG-INIZCTEOSA-N 408.474 0.889 10 10 HCCE COc1ccc(N2CCN(C(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)cc1F 1294825542 YMEMQJLLHKEQQV-UHFFFAOYSA-N 423.470 0.627 10 10 HCCE Cn1nnc2c1CC[C@H](NC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1478945141 NHXKOWKLDXNZAY-HNNXBMFYSA-N 418.523 0.407 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3nccc3C)CC2)cc1 1538445751 VMEPNKFPXODHSM-UHFFFAOYSA-N 421.523 0.468 10 10 HCCE NC(=O)C[C@@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 1560043688 HRCCDRPIAQGKSC-CYBMUJFWSA-N 407.426 0.977 10 10 HCCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1638479372 PHGFABMQJINIQL-QGZVFWFLSA-N 404.467 0.472 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCc4c(nnn4C)C3)CC2)cc1 1640191218 HTICKLWAFQPETP-SCOAYWHSSA-N 424.505 0.702 10 10 HCCE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCCF 1687006621 NJZYEPPXZSNNSD-CYBMUJFWSA-N 400.476 0.195 10 10 HCCE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(O)c2O)CC3)CC1 790964563 YLYFQROJIHIUJW-AWEZNQCLSA-N 413.478 0.674 10 10 HCCE CCn1nc(C)c(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1312903410 ZBTMGMGFPDRSKC-UHFFFAOYSA-N 406.512 0.841 10 10 HCCE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@H](C)O1 1648445173 KPKXQBSIYULBIJ-RYUDHWBXSA-N 417.459 0.349 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)[C@H](C)C3)CC2)cc1 779311576 RTEFPRRKECKPCG-LKGOPFMKSA-N 416.522 0.425 10 10 HCCE CN(C)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1313306484 WBUDPEGNDPMSKO-UHFFFAOYSA-N 416.526 0.897 10 10 HCCE Cn1cc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cn1 1355064984 MCYMZEVQYWTGFV-DLBZAZTESA-N 424.505 0.791 10 10 HCCE CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1638918518 WTVLTOQHXRUGPX-IBGZPJMESA-N 404.559 0.819 10 10 HCCE CN(C)CCN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1=O 1674713344 VYACTVMEHGJBKQ-UHFFFAOYSA-N 403.527 0.563 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@H](O)CN3CCOCC3)C2)cc1 1682188476 RSXQOTJUVPCOED-HKUYNNGSSA-N 406.527 0.856 10 10 HCCE COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)C(C)(C)C3)CC2)cc1 754062443 UESYFQCJBZTWHF-SFHVURJKSA-N 411.568 0.687 10 10 HCCE C[C@H](NC(=O)C(=O)N1CCN2CCOC[C@H]2C1)c1ccc(N2CCOCC2)cc1 803311254 NUGFBDRUBHKDNC-QFBILLFUSA-N 402.495 0.243 10 10 HCCE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470905689 SEBKALUMTYMLSJ-INIZCTEOSA-N 403.527 0.909 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)CCn3cnc4c(N)ncnc43)cc2)CC1 1634074935 WFIIANYSPSISKH-UHFFFAOYSA-N 422.493 0.784 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)CCC[C@]3(C)NC(=O)NC3=O)CC2)cc1 1544314757 GLPCUYAWKIGSJA-NRFANRHFSA-N 417.510 0.702 10 10 HCCE CN1CCN(c2ccc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2)CC1 775648228 BBGRSOIOOZOAPA-UHFFFAOYSA-N 423.583 0.133 10 10 HCCE CCN1CC[C@H]2OCCN(C[C@@H](O)CN3CCN(c4ccc(OC)cc4)CC3)[C@H]2C1 815139197 BAVPKCSHMQAJOM-ACIOBRDBSA-N 418.582 0.973 10 10 HCCE COC[C@](C)(CC(=O)OC)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1307546927 OGNUPBQTSMRKHS-FQEVSTJZSA-N 411.474 0.836 10 10 HCCE CC(C)OC[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1565043891 GWCHOBUKSTVJLG-GOSISDBHSA-N 413.540 0.849 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)CNC3(C(N)=O)CCOCC3)cc2F)C[C@@H](C)O1 1643744915 WAYSSNMILVLWBF-GASCZTMLSA-N 422.501 0.680 10 10 HCCE CN(CC(=O)N1CCOCC1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1676125196 ALOZAJKCBKANFG-UHFFFAOYSA-N 417.510 0.389 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 729499183 AHAGPSQRAXHHNB-CTNGQTDRSA-N 417.554 0.980 10 10 HCCE CN1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)cc2)CC1 1478504212 FDYICRNYTASZFP-HKUYNNGSSA-N 423.583 0.956 10 10 HCCE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 1565362906 CCOUSKYJOWQELY-QGZVFWFLSA-N 400.483 0.307 10 10 HCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684369 KGVIBDMHWXFDAR-OAHLLOKOSA-N 403.451 0.842 10 10 HCCE CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728021996 JSXCDMQOVRIQJK-MRXNPFEDSA-N 411.549 0.849 10 10 HCCE O=C(CN1CCOC[C@H]1c1ncno1)NCc1ccc(N2CCOCC2)c(F)c1 1170129677 XXRDGLHNQTUNCD-KRWDZBQOSA-N 405.430 0.735 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C(=O)C(OC)OC)CC3)C2)cc1 1230859455 ZMMOKMBXUAPJDZ-OAHLLOKOSA-N 406.483 0.747 10 10 HCCE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnn(C[C@@H](O)CO)c1 1295116007 BLPYOROJUTYXSR-OAQYLSRUSA-N 413.522 0.698 10 10 HCCE CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1312834253 URYXZXUEFCTDQM-LBPRGKRZSA-N 407.439 0.006 10 10 HCCE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)CC2=O)C1 1558694258 MGEDCNNXLVVAEM-CYBMUJFWSA-N 405.451 0.977 10 10 HCCE CN(C)S(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1635485434 SXGSYRZIMJWYHS-UHFFFAOYSA-N 413.544 0.091 10 10 HCCE NS(=O)(=O)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccn1 1642297819 RVAMMDKBAHWYKS-UHFFFAOYSA-N 412.418 0.774 10 10 HCCE CN1C(=O)CC[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1683500334 PGOYYZWOWHDAOK-MRXNPFEDSA-N 401.467 0.335 10 10 HCCE COC(=O)C(C)(C)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 778188895 KMYKTEQOYUQBFP-UHFFFAOYSA-N 418.538 0.913 10 10 HCCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3CCCC3=O)CC2)cc1 1557374840 YSLNXPVVVKWNAU-HJWRWDBZSA-N 400.479 0.639 10 10 HCCE O=C1CN(S(=O)(=O)c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)CCN1 1632703338 HRKPTFRORNTEEM-UHFFFAOYSA-N 401.444 0.669 10 10 HCCE CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)NC)cc2)cn1C 797432728 POWUXKRBDYVRJQ-UHFFFAOYSA-N 401.470 0.062 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1 1130659631 IIWAONPYFUHQHI-HOTGVXAUSA-N 411.524 0.688 10 10 HCCE CN(C)S(=O)(=O)n1ccnc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1324209223 SXUWHKVJCBIGKS-MRXNPFEDSA-N 420.539 0.529 10 10 HCCE CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1503280845 DGSCSOUUOQUTNS-AWEZNQCLSA-N 422.511 0.511 10 10 HCCE CC(=O)OC[C@H]1O[C@H](OCCN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857777714 DPAXDKFCBLGMIZ-LEOABGAYSA-N 417.371 0.396 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)cc1 1464547435 VNYQYRJUOUVKGV-KRWDZBQOSA-N 414.510 0.875 10 10 HCCE CNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1471548988 ZJDJYZGHVWVWNX-QGZVFWFLSA-N 412.560 0.147 10 10 HCCE C[C@@H]1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[S@@]1=O 1636796346 DJXYIVVVHJITFP-WZQKQDCOSA-N 413.565 0.974 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@](C)(O)Cn3ccccc3=O)cc2)CC1 790957696 FQIVCJFGMMMIPJ-JOCHJYFZSA-N 412.490 0.584 10 10 HCCE O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 1125187437 FVZLYCNTXHKOEF-UHFFFAOYSA-N 404.446 0.861 10 10 HCCE CC[C@H](O)Cn1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nn1 1138230164 HZZDMEPXJQVPIX-SFHVURJKSA-N 400.483 0.648 10 10 HCCE COc1ccc(N2CC[C@@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 1617255122 FXNBURRVQDGUEC-OAHLLOKOSA-N 402.476 0.888 10 10 HCCE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 1617652751 FAGFPQRGYKFBRH-CQSZACIVSA-N 401.444 0.863 10 10 HCCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)CN3CCOCC3)CC2)cc1 743362559 FQQMYHDSVIOUKY-GOSISDBHSA-N 405.543 0.837 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn4cc(C)nc(O)c34)cc2)CC1 1138229970 APGCAYVXFGUYTK-UHFFFAOYSA-N 409.450 0.737 10 10 HCCE CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C(=O)NCCO)CC2)N(C)C)cc1 1256237328 XGPACUQERSYZIC-LJQANCHMSA-N 405.543 0.885 10 10 HCCE C[C@@]12CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@]1(C)C(=O)NC2=O 1307991786 APCMUYXIDKMDKO-OYRHEFFESA-N 418.469 0.263 10 10 HCCE COc1ccc(N2CCN(CCCNC(=O)c3c[nH]nc3S(N)(=O)=O)CC2)cc1 1440670898 AKBHFVNBODRLRU-UHFFFAOYSA-N 422.511 0.008 10 10 HCCE CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1634974520 XMTQLDVWVLHJNM-UHFFFAOYSA-N 410.540 0.676 10 10 HCCE CCOC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872627988 DVJGEKBEZURNBN-UHFFFAOYSA-N 404.423 0.911 10 10 HCCE CS(=O)(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1 1565127023 IBGFUGIAOAUBSG-SFHVURJKSA-N 411.524 0.603 10 10 HCCE COc1ccc(N2CCN(C(=O)CN3CCC(CNS(C)(=O)=O)CC3)CC2)cc1 796251912 CCUMQEWHBIQLMI-UHFFFAOYSA-N 424.567 0.605 10 10 HCCE COC(=O)CCNC(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1253512668 XLEXEHLCQJLJGJ-UHFFFAOYSA-N 406.483 0.516 10 10 HCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@]12COCCN1C(=O)OC2 1254433227 RRTJLFQVPATKGB-FQEVSTJZSA-N 404.467 0.886 10 10 HCCE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1298364229 WDHLRWBFHJMQGK-CQSZACIVSA-N 417.495 0.699 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nocc3C)CC2)cc1 1527890928 DXHNZYVACCTZMG-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE NC(=O)COC1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1255510154 VWXOMDBWCUYTCU-UHFFFAOYSA-N 417.510 0.564 10 10 HCCE C[C@H]1CN(c2ccc(CNC(=O)Cn3nc(C(N)=O)ccc3=O)cc2F)C[C@@H](C)O1 1341813215 BEPNOAURKRBBTM-BETUJISGSA-N 417.441 0.411 10 10 HCCE COC(=O)c1cn(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nn1 1478626916 RQZDZHQKZRKRTL-UHFFFAOYSA-N 402.455 0.525 10 10 HCCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3conc3C)CC2)cc1 1586835732 JTGKIKCPVXUQHG-UHFFFAOYSA-N 408.480 0.873 10 10 HCCE COc1ccc(N2CCCN(C(=O)CCn3cc(C(N)=O)c(O)nc3=O)CC2)cc1 1630713359 IFVCGVNJADKLOI-UHFFFAOYSA-N 415.450 0.185 10 10 HCCE CCc1cccc2c(/C=C3/C(=O)NC(=S)N(CCOC)C3=O)cn(CC(N)=O)c12 98064567 VJZLPYCBNYJHTG-DHDCSXOGSA-N 414.487 0.962 10 10 HCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 789833282 GFGLFNODMYRLNC-GJZGRUSLSA-N 405.470 0.917 10 10 HCCE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 1640664773 FZBXLDUPYVSQRN-GQCTYLIASA-N 403.482 0.228 10 10 HCCE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)cc1 1682188190 JECLDGFBXDLANB-KKSFZXQISA-N 418.494 0.449 10 10 HCCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O 5208371 IBZGBXXTIGCACK-LADRHHBVSA-N 414.366 0.154 10 10 HCCE biogenic,in-vitro CNC(=O)c1cncc(/C=C\C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)c1 741733991 VKHKYZXXEBBOEO-UTCJRWHESA-N 400.460 0.952 10 10 HCCE COc1cc(N2CCN(C(=O)C3CN(S(C)(=O)=O)C3)CC2)cc(OC)c1OC 1138104251 QHLNFHDTGMXURS-UHFFFAOYSA-N 413.496 0.252 10 10 HCCE NC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1479343458 HXEQSMIJARKIPP-QGZVFWFLSA-N 403.483 0.174 10 10 HCCE COC(=O)[C@]1(OC)CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 1647802682 UMQKCGMRLGYDDT-NQIIRXRSSA-N 407.511 0.442 10 10 HCCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCn2ccnc2C1 1681596504 HRTBYYDIPJYUCS-INIZCTEOSA-N 403.508 0.932 10 10 HCCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-n4cnnn4)cn3)cc2)CC1 857494330 NIVPYTXISBSOBW-UHFFFAOYSA-N 406.450 0.656 10 10 HCCE C[C@@]1(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCS(=O)(=O)N1 1528261463 MDHOCMSUZIIVMD-KRWDZBQOSA-N 403.451 0.890 10 10 HCCE CNC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 1683731303 OGQHXODJODFANY-IBGZPJMESA-N 408.524 0.589 10 10 HCCE