smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(N2CCN(C(=O)CN3CCN(Cc4ccc5c(c4)CCO5)CC3)CC2)cc1 29194702 LZZRXHZYHUMWFK-UHFFFAOYSA-N 450.583 2.097 10 10 JECE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)s1 103877279 JUEHSVKZYVNCMJ-FOWTUZBSSA-N 498.546 2.480 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)CC1 1638586818 BNKGIRRHQRTVEE-HSZRJFAPSA-N 450.539 2.403 10 10 JECE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1858038649 AAYAJSNZUHVXDS-UHFFFAOYSA-N 472.567 2.010 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864016813 XXKLREBONASUQW-SFHVURJKSA-N 450.495 2.174 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864017544 OOUSDLBEYUNCLY-ORAYPTAESA-N 480.521 2.181 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018667 QJYAPMUREUBKSH-RNODOKPDSA-N 482.512 2.236 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC)[C@H]2c1ccc(O)c(O)c1 1864022830 RLGBRJSWGONJEM-ZDUSSCGKSA-N 456.421 2.180 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@H]2c1ccc(O)c(O)c1 1865031574 KAPFQUKDZTYBOH-IBGZPJMESA-N 477.521 2.010 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCn3ccnc3)n4C)CC2)cc1 1873568491 WMWSOLUHHVBFMF-UHFFFAOYSA-N 474.569 2.320 10 10 JECE COc1ccc(N2CCN(C(=O)CN3CCN(c4cc(OC)ccc4OC)C3=O)CC2)cc1 49391376 LJWDXPPBIDOANO-UHFFFAOYSA-N 454.527 2.303 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 1083803686 NXSDPOSAOAWHFZ-LDMBFOFVSA-N 475.669 2.181 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864010654 VINYTEHPUMRHTB-NRFANRHFSA-N 478.553 2.140 10 10 JECE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012892 LQYJWOQZMVANJZ-FQEVSTJZSA-N 482.512 2.237 10 10 JECE CC[C@](C)(NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869054025 ZYGKLZOBEHCCBV-RDGATRHJSA-N 453.587 2.327 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)OCc3ccccc3)CC2)cc1 1872673630 FRBYZFYMICGWAH-UHFFFAOYSA-N 452.467 2.163 10 10 JECE COCCCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873587034 BHWQIDYFBRCHTK-UHFFFAOYSA-N 495.628 2.094 10 10 JECE CCCCCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 2040499300 WYQNYFPBFKVSIT-UHFFFAOYSA-N 487.651 2.200 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(CC)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 650146 GFHGOVBFVRPIAC-VLOXRPPESA-N 479.606 2.389 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cn(C)nc4C)c(=O)n32)cc1 254512654 PKXDNNXWXISGIU-JOCHJYFZSA-N 479.606 2.296 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1722749250 PDXSFAVQHGLRMA-IBGZPJMESA-N 455.607 2.144 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758271 JHILZGDWIINMIG-ZDUSSCGKSA-N 495.941 2.327 10 10 JECE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865031267 CYNUQBQGFAOJIH-OAQYLSRUSA-N 499.527 2.491 10 10 JECE CCc1nn(C)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865354681 PDHYPIASQFNTFI-QFIPXVFZSA-N 476.581 2.373 10 10 JECE CCOC(=O)COc1cn(CCCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870694893 WOPMQMXUVYVQSP-UHFFFAOYSA-N 486.613 2.073 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 585203184 AJZYLAZMBBKKAB-UHFFFAOYSA-N 492.598 2.376 10 10 JECE CC(=O)[C@@H](C)SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1307309079 GOZNYZHVBLMOAI-VJMCZWTHSA-N 452.579 2.443 10 10 JECE Cc1cccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1 1865026817 AQRZJURWRDEUHY-QHCPKHFHSA-N 489.576 2.487 10 10 JECE CN(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698268 MHTKCWUCHABFEN-JTHBVZDNSA-N 471.513 2.181 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCN(CCO)CC3)nc12 2040499087 SVJOTWQPMGNRQJ-UHFFFAOYSA-N 499.662 2.261 10 10 JECE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 2296846702 VYVGJTCTSZCQKK-CQSZACIVSA-N 492.648 2.459 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)Cn3nc(C)n4c(cc5sccc54)c3=O)CC2)cc1 9848490 LRTOFYLNEGPLEV-UHFFFAOYSA-N 494.621 2.356 10 10 JECE COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1ccc(N3CCCC3)cc1)CC2 19939703 FWOWKCRZLUEWMA-UHFFFAOYSA-N 492.580 2.137 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)c4cccn4c4cccnc43)CC2)cc1 20512723 AYGKGTOQBKIFLP-UHFFFAOYSA-N 488.592 2.376 10 10 JECE CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)[C@@H]2CCS(=O)(=O)C2)cc1 40325767 LGXMKUMWLDPTOA-ISKFKSNPSA-N 483.634 2.360 10 10 JECE CCCn1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018970 MAKKMHFFZPTLJB-JOCHJYFZSA-N 452.555 2.220 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864013843 HGJDATCGXICDHC-LJQANCHMSA-N 457.575 2.419 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590296 VMAMLCKCBQTCNX-UHFFFAOYSA-N 463.586 2.469 10 10 JECE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 2297363110 OMUVOGABBMBVOA-UHFFFAOYSA-N 490.222 2.487 10 10 JECE COc1cccc(C=C2SC(=S)N(NC(=O)Cc3nn(C)c(=O)c4ccccc34)C2=O)c1O 2297510480 XCYWLPONIGHSFC-UHFFFAOYSA-N 482.543 2.123 10 10 JECE CCOc1ccc(N2C(=O)/C(=C/Nc3cc(NC(C)=O)cc(C(=O)O)c3)C(=O)NC2=S)cc1 38163425 SQHRMIDYGVAWQZ-WOJGMQOQSA-N 468.491 2.486 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1 1864009645 JIWAOSMJBVNZNG-YCRPNKLZSA-N 478.505 2.273 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864011006 CTVUFHNSIFZTGL-HXUWFJFHSA-N 484.940 2.498 10 10 JECE COCCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873557022 IHOBQAKZCYRFDB-UHFFFAOYSA-N 494.596 2.010 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCN4CCOCC4)[C@H]3C2)cc1 104922616 DJIVOYZPRCASAL-AOYPEHQESA-N 480.609 2.020 10 10 JECE COCCN1C(=O)/C(=C/NCCCCCc2nc(-c3ccc(C)cc3)no2)C(=O)NC1=S 105255311 KCHZPYVBLNVQOV-SAPNQHFASA-N 457.556 2.121 10 10 JECE COc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 726600168 CXWDHNPKOBXVEA-UHFFFAOYSA-N 479.624 2.427 10 10 JECE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5ccccn5)CC4)ncn3)CC2)cc1 1858253680 QQFHVYMTAOTETG-UHFFFAOYSA-N 459.554 2.169 10 10 JECE Cc1[nH]cnc1CSCCNC(=O)c1ccc(Cn2c(=O)c(=O)n(C)c3ccccc32)cc1 33272711 JBUVDXAFMFPGCY-UHFFFAOYSA-N 463.563 2.443 10 10 JECE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 33467690 NJYVLLCGJYGSGF-QUYZQLMHSA-N 487.651 2.180 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 1615105177 JSWFKAUTRILNEY-ILBGXUMGSA-N 478.536 2.181 10 10 JECE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1749842145 XSIGYQXJRNARGO-HXOBKFHXSA-N 457.598 2.219 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4cccc(OC)c4)c(C)[nH]3)CC2)cc1 1858529487 KZIXIMASMCUAJQ-UHFFFAOYSA-N 463.538 2.357 10 10 JECE COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(C)n3)CC2)cc1 1869288739 AAEFCHVYGGABQG-UHFFFAOYSA-N 494.621 2.330 10 10 JECE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040499228 VIRAIWCERBYAEB-CQSZACIVSA-N 462.597 2.423 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2080880993 QJJSMTJWMUTUJB-KKUMJFAQSA-N 451.520 2.315 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15047653 LUVQWSMJQRNZHZ-OKHBPPCESA-N 463.562 2.268 10 10 JECE COc1cc(C(=O)NC2=N[C@H](c3ccc(OC)c(OC)c3OC)CC(=O)N2)cc(OC)c1OC 20530874 MESRGUIRFBXSFF-AWEZNQCLSA-N 473.482 2.085 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)c1O 248224888 IVOZAGMAVVQRSG-FRBSRZPYSA-N 468.506 2.217 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)CC2)cc1 1858400761 ZPONKDQIILIFQZ-GOSISDBHSA-N 489.594 2.072 10 10 JECE CC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868607179 USFZVRIUUUGLSP-OAQYLSRUSA-N 453.539 2.253 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc(N4CCOCC4)cc3)CC2)cc1 1868804059 OJDIQSBFXMMPIH-UHFFFAOYSA-N 480.609 2.318 10 10 JECE COc1ccc(C=C2C(=O)NC(=S)N(C3CC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296048029 JLHVYIDEZZLOIB-UHFFFAOYSA-N 461.499 2.281 10 10 JECE COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15036255 NGSQBSNCUXCQHH-YBEGLDIGSA-N 463.562 2.183 10 10 JECE COC(=O)C1CCN(C(=O)COC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 824127341 LZUNTROOJYRMOX-ATVHPVEESA-N 494.566 2.372 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H]4[C@@H](CCCCN4S(C)(=O)=O)C3)CC2)cc1 1615111708 JTJJXMJNMSLHQW-UGKGYDQZSA-N 451.633 2.163 10 10 JECE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)C1 1705930401 MPGXCXMYANCYIJ-UHFFFAOYSA-N 482.610 2.232 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007910 XNJDUDSXSKJCDH-FQEVSTJZSA-N 466.494 2.058 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1 1865034892 HFUWIPSIATZTDN-IBGZPJMESA-N 456.543 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cccc(C)c3)CC2)cc1 1872675478 ODQAZQFDKNRGLN-UHFFFAOYSA-N 451.483 2.367 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)[C@H](C)Oc3ccccc3)CC2)cc1 11796521 YAWQGDFYIYIVJZ-IBGZPJMESA-N 461.584 2.121 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3nc4c(Oc5cccc(OC)c5)nccn4c3=O)CC2)cc1 33308972 YJJQGSCLQFNUFY-UHFFFAOYSA-N 490.520 2.049 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@@H](C)C2)n(C)c(=O)c1C#N 39989612 QRGQJQGBHOODIO-RSKNLIDKSA-N 490.607 2.245 10 10 JECE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074275 QKYQZNNGFITFFK-VWLOTQADSA-N 486.638 2.315 10 10 JECE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O 248160009 NVIXEUOIGJRIKQ-ZNSVQMMGSA-N 474.897 2.017 10 10 JECE CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858418343 PPOLHBADTXCQPB-LJQANCHMSA-N 473.595 2.453 10 10 JECE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867136618 SXJGMHSAHDQSJN-SFHVURJKSA-N 471.425 2.038 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865028089 PFTBEZRDWZVAPU-OAQYLSRUSA-N 462.506 2.204 10 10 JECE C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)CS2 800366588 DZVNQKBNCPRNAN-BXKMTCNYSA-N 464.499 2.398 10 10 JECE COc1ccc(N2CCN(C)CC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1858035205 JZCVLPFJSPWNOH-UHFFFAOYSA-N 458.584 2.484 10 10 JECE COc1cc(/N=N/c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)O 2080103041 CGLOIOJVUYAUAC-YCHUCXOZSA-N 482.449 2.344 10 10 JECE Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)c2C)cc1 139766989 NQACLLHSIJZKTC-RMKNXTFCSA-N 450.583 2.419 10 10 JECE COc1cccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O 248170745 VVDCHKPHAJIBBG-YDSTWLSQSA-N 488.880 2.111 10 10 JECE COCCCNC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858224532 YLIYULUQXCGKTP-UHFFFAOYSA-N 451.527 2.072 10 10 JECE COc1cc2c(cc1OC)CN(C(=O)C1=C(N)Oc3c(c(C)nn3C)[C@H]1c1ccc(O)c(O)c1)CC2 1865027324 GRVRYBQBZYEZGT-JOCHJYFZSA-N 492.532 2.436 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683085 LFKYOYCPXKFPRH-UHFFFAOYSA-N 471.512 2.131 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 104841686 NXSDPOSAOAWHFZ-NGDQXYMTSA-N 475.669 2.181 10 10 JECE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 1860192986 JCRHHHQAWLKQHS-GFCCVEGCSA-N 459.300 2.448 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862050112 WZTWLUFMUGUPDD-DQEYMECFSA-N 495.576 2.176 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864012791 JEKNAMSHYHYJRB-HXUWFJFHSA-N 479.537 2.478 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019045 UVBHIBYVSGQSRI-RNODOKPDSA-N 482.512 2.236 10 10 JECE CC(=O)Oc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722102 IPCCWQXHOFIIGH-RPBOFIJWSA-N 496.608 2.112 10 10 JECE COC(=O)c1c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)sc2c1CC[C@H](C)C2 64980814 SUHORVWEEASXKD-SMDDNHRTSA-N 451.570 2.318 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252669028 GFHGOVBFVRPIAC-JOCHJYFZSA-N 479.606 2.389 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(OC)cc4C)C3)CC2)cc1 1858401514 IHQHZHJGTDHDIV-LJQANCHMSA-N 473.595 2.372 10 10 JECE CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546128 CNYKKKKJZZHNPR-UHFFFAOYSA-N 464.570 2.383 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053511372 QEGNLOFZSZBXLJ-GJZGRUSLSA-N 474.608 2.464 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(CC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2797906 JYWCHZIFXMCZBE-JCAJYURWSA-N 465.579 2.081 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)cc2)CC1 1296398712 BWCOYMDOYZPNOO-GOSISDBHSA-N 450.539 2.176 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1 1861989912 RNPJLIAUIBLVAN-JOCHJYFZSA-N 484.622 2.377 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864022070 KCEVVGINXNZZNJ-HNNXBMFYSA-N 483.491 2.486 10 10 JECE CN(C)c1ccc([C@H](NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2nccn2C)cc1 1865943274 KSLPLWZAQMYCEL-NRFANRHFSA-N 467.551 2.072 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518084 PTAUHSYLMQETDL-UHFFFAOYSA-N 450.503 2.134 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3Cc3ccccc3)CC2)cc1 1873599181 IZIRLLQQDTWXNM-UHFFFAOYSA-N 487.560 2.058 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 15051007 AMSYLMDOBJJCGZ-AVIKPIRVSA-N 491.547 2.006 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 210678539 VTBHGYWYOZMDDW-LICLKQGHSA-N 493.588 2.278 10 10 JECE O=C1CCN(Cc2ccncc2)CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 257175766 BPRTUMSENAVAOX-DEOSSOPVSA-N 479.625 2.343 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)s3)CC2)cc1 742919643 BICIXYIGIYZGHB-OAQYLSRUSA-N 492.667 2.157 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC[C@H]4CCCO4)c4ccccn34)CC2)cc1 1858224000 KSEDCWNRXFCQSW-HXUWFJFHSA-N 463.538 2.214 10 10 JECE Cc1ccc(O)c(CNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1860720872 YHTDOMKFFTWSIU-UHFFFAOYSA-N 453.948 2.103 10 10 JECE CN(Cc1ccccc1)Cc1cn([C@H]2CO[C@@H]3[C@@H](NCc4ccc(N(C)C)cc4)CO[C@H]23)nn1 5396385 LDUOXRVGZHFFKW-QEGGNFSNSA-N 462.598 2.473 10 10 JECE biogenic CC(=O)CCC(=O)O[C@@H]1[C@H](COC(C)=O)O[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]1OCc1ccccc1 575449117 VUSNIPRUVGUYFN-XBJCXQGOSA-N 477.470 2.383 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 616586363 NXSDPOSAOAWHFZ-CSYMLDBXSA-N 475.669 2.181 10 10 JECE CC(C)(C)c1noc(OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)n1 730730539 AHPDZEBQFGUTAS-OQLLNIDSSA-N 490.563 2.492 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC[C@@H]4CCCO4)c4ccccn34)CC2)cc1 1858223999 KSEDCWNRXFCQSW-FQEVSTJZSA-N 463.538 2.214 10 10 JECE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 11344045 LNQACIBPRIZOEA-UHFFFAOYSA-N 478.482 2.166 10 10 JECE NCCCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 247706479 FHBZGTDBZHFEBI-ZQAYVECASA-N 457.914 2.448 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(NC(=O)OC(C)(C)C)n(C)n3)cc2)CC1 1138230535 WJVPCVAKVOUXSE-UHFFFAOYSA-N 456.547 2.366 10 10 JECE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705659326 RTVBUBKBRYUEEV-HXUWFJFHSA-N 454.600 2.069 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012639 FSYGQMHKWLMLNO-OAQYLSRUSA-N 478.549 2.488 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865025662 BIEVGACUKCATGV-PGRDOPGGSA-N 494.523 2.468 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026053 IZZNEBKSRAUTNH-QFIPXVFZSA-N 493.539 2.259 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868598971 RXEMTKAMFDCLAK-YADARESESA-N 485.606 2.026 10 10 JECE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 2297311172 HTBUPUZVYWJAKT-UHFFFAOYSA-N 476.470 2.284 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 65001202 LWRJVKPESOLUBW-NRFANRHFSA-N 452.603 2.339 10 10 JECE CCN(CC)C(=O)C[C@H]1CCN2C[C@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O 212545323 VQBRHKNSGVIPJV-FGZHOGPDSA-N 485.673 2.082 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)CC1 1447710676 LEQQZRDHBAVHFF-SFHVURJKSA-N 456.493 2.303 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864020897 HRPFNIVYRVZDQE-OAQYLSRUSA-N 497.596 2.336 10 10 JECE NC1=C(C(=O)N2CC(O)C2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031300 DTFFVIXEJSERLE-NRFANRHFSA-N 497.511 2.243 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)CC2)cc1 742916192 DUWJAXZBOYKWMD-QHCPKHFHSA-N 496.633 2.351 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1301637839 HMUWPGBUOPSCOI-UHFFFAOYSA-N 454.554 2.379 10 10 JECE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705661522 DEUXXNPBGSAQBS-KRWDZBQOSA-N 493.630 2.021 10 10 JECE O=C(CCc1ncc2ccccn12)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866897271 CZOJYOVFNQMGGY-OAQYLSRUSA-N 482.496 2.158 10 10 JECE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690835050 UMBUBIPURXLXJC-XMMPIXPASA-N 474.581 2.241 10 10 JECE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032469 CVELXNMALZYEEB-LJQANCHMSA-N 482.924 2.397 10 10 JECE CC(C)(C)OC(=O)NC1CCN(c2cccc3c2C(=O)[C@H]([C@@H]2CCC(=O)NC2=O)C3=O)CC1 1887521612 BSOIYJWQMROABK-HNAYVOBHSA-N 455.511 2.228 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 743298699 FRCCRQSFDLFNKT-UHFFFAOYSA-N 467.570 2.111 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cn4ncnc34)cc2)CC1 1556199473 MZWBTLBCGRHXOB-UHFFFAOYSA-N 457.332 2.090 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865029595 QXQCUFUKIFNHMS-OAQYLSRUSA-N 490.564 2.222 10 10 JECE C[C@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 10013968 RDAKYKIUVBXMMM-ULMVMLMRSA-N 461.268 2.154 10 10 JECE COc1cc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)cc(OC)c1OC 1857944597 KSWLQAYZUCRRAB-UHFFFAOYSA-N 477.583 2.234 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)CC2)cc1 1868612226 BFSKIASLROXXFO-UHFFFAOYSA-N 492.576 2.416 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)c2)CC1 1537422963 DTWBJXMWNFAXRC-MRXNPFEDSA-N 456.568 2.318 10 10 JECE Nc1ccc(-n2nnc(C(=O)NC[C@@H](c3ccccc3)S(=O)(=O)c3ccc(F)cc3)n2)cc1 1857878960 PXZSIMDOFBYPOB-FQEVSTJZSA-N 466.498 2.329 10 10 JECE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1864019014 UGWPYMJHGLWSKU-IBGZPJMESA-N 499.568 2.308 10 10 JECE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812605 JUQCWADYKPZSEI-AQTBWJFISA-N 475.640 2.038 10 10 JECE COc1cc(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1528358839 LYYNAZPZUXOKAG-UHFFFAOYSA-N 453.495 2.047 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865025917 FGOZWEMPDCRAAM-OAQYLSRUSA-N 464.522 2.338 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865033332 XLPQSDIXPRZCEE-FQEVSTJZSA-N 464.522 2.381 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CC2)cc1 742926850 CJAIMSCKENRFRL-UHFFFAOYSA-N 465.529 2.241 10 10 JECE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035462 UNMMZCLYAATNOA-FQEVSTJZSA-N 496.951 2.456 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296849777 RQXGDKVVTJMJNG-MRXNPFEDSA-N 496.570 2.434 10 10 JECE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2314827466 FPLXISSZARWMOE-UHFFFAOYSA-N 493.588 2.191 10 10 JECE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCCN1CCOCC1 33436477 PAVQZDIGKUHMIO-XMHGGMMESA-N 477.608 2.235 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)CCN1 106264431 NSDNHFREWQDQGG-XMMPIXPASA-N 456.546 2.280 10 10 JECE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705661523 DEUXXNPBGSAQBS-QGZVFWFLSA-N 493.630 2.021 10 10 JECE O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCCc1ccc(O)c(O)c1 1860367242 RVFLZKSEDHNAQQ-UHFFFAOYSA-N 462.550 2.473 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864011098 ZEZJRICCQQZCAZ-FQEVSTJZSA-N 457.575 2.411 10 10 JECE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927592 HUZWNNMJIWQCTR-OLZOCXBDSA-N 453.494 2.448 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)c(C(=O)O)c1OC 2314929213 JDNOOKSZVITLMP-UHFFFAOYSA-N 452.554 2.326 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccn3)c3ccccc32)SC1=S 2326945120 OQEIBFBHCUDFOB-UHFFFAOYSA-N 468.516 2.113 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018244 GPOJESOXKDBECM-RBZFPXEDSA-N 482.512 2.236 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865034708 CEMGTJZIWLLHEG-HNAYVOBHSA-N 456.543 2.335 10 10 JECE CCOC(=O)C1=C(C)C(C(=O)OCC(C)C)=S=C1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1860748070 KGOPGVOCCQMYRP-UHFFFAOYSA-N 474.535 2.072 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010760 BMODWFXWFZGAGA-ODXCJYRJSA-N 484.940 2.496 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864011317 GOOZUVNHVXITIM-HXUWFJFHSA-N 468.485 2.247 10 10 JECE CC[C@](C)(NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867018440 BVCTYLACWMWTHB-QHCPKHFHSA-N 456.520 2.120 10 10 JECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)c1 2297638935 JSLJZPVWYNPLOV-SFHVURJKSA-N 451.483 2.297 10 10 JECE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812709 YLLKBZQQSHJALY-RGEXLXHISA-N 489.667 2.428 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccccc3OC)CC2)cc1 585200748 OJDCUZGBJGHDNW-UHFFFAOYSA-N 462.572 2.367 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862165716 AHMLMNYRQUITSY-OAQYLSRUSA-N 478.593 2.287 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865610523 JHAHGDUGUCNELI-HXUWFJFHSA-N 462.554 2.363 10 10 JECE CCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873564886 DCLQOQMRXOBQQE-UHFFFAOYSA-N 452.559 2.460 10 10 JECE Cc1c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392960 VBCNXJVLFKVJPW-NGWPFTMJSA-N 476.649 2.499 10 10 JECE COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 1084148406 OJSMYZYZESAVAP-QGOAFFKASA-N 452.423 2.106 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1084164203 IXICNQXZZJLPNK-FOWTUZBSSA-N 483.477 2.464 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019156 HCHVXQNQMFTLCS-FQEVSTJZSA-N 464.522 2.362 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873548219 XPYAUZHTQLLKHO-UHFFFAOYSA-N 491.596 2.091 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 1862128942 NSCZPXUFCQQUGP-QFIPXVFZSA-N 484.984 2.418 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCCOC)c4ccccc34)C2=O)cc1 2297351319 QTVRWXXJMIOFTC-UHFFFAOYSA-N 490.516 2.469 10 10 JECE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCCC(=O)O 210447266 PVSVDMYPQFHDTF-WJDWOHSUSA-N 459.505 2.490 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871513180 ARMGZNWQKAIBLI-UHFFFAOYSA-N 469.977 2.160 10 10 JECE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2297352433 FEPUETDKRKKECF-CQSZACIVSA-N 490.632 2.073 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cccc(F)c4F)C3)CC2)cc1 1615104531 DUFCJUMJZDGKHY-RDGATRHJSA-N 478.536 2.181 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)NCCOCCO)sc(C)c1-c1ccc(OCC)cc1 1860762437 GJXSUCLJUVFJPJ-UHFFFAOYSA-N 464.540 2.363 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCN1CCCC1=O)[C@H]2c1ccc(O)c(O)c1 1864022472 XNMVNVDOHFWXBP-FQEVSTJZSA-N 483.569 2.090 10 10 JECE COc1cccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)c1 2297353895 POIAOLAQNNVVBG-UHFFFAOYSA-N 453.520 2.372 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1625192901 KEXGYQLSNFVXER-UHFFFAOYSA-N 451.523 2.406 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1861999190 FVZLVYOOJFMNBE-DHLKQENFSA-N 464.610 2.413 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3nc(O)c4ccccc4n3)CC2)cc1 1869047173 XFBIOKIGGCUZAM-KRWDZBQOSA-N 463.538 2.130 10 10 JECE COc1ccccc1N1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S 2297053580 HOMXDMNWLZJXOW-UHFFFAOYSA-N 463.519 2.237 10 10 JECE CC[C@@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)N1C(=O)CCn2nc(C)cc21 15728728 MKFWWWGDNOZPCM-QFIPXVFZSA-N 468.602 2.044 10 10 JECE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1nccs1 28166604 CCATULCCDLMNDD-QPEQYQDCSA-N 465.534 2.455 10 10 JECE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 725428909 ICUJXJIURISEPE-MOSHPQCFSA-N 486.531 2.178 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2)cc1 742939487 HELRVNUHRLDGGL-UHFFFAOYSA-N 465.598 2.439 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)CC1 1596164665 BRVRBSXYTPIBNR-UHFFFAOYSA-N 470.599 2.066 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862169782 WVDCLDCTVCNOAR-RCZVLFRGSA-N 490.604 2.384 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)CC2)cc1 743362611 GGARQSQNBZQUHK-AREMUKBSSA-N 481.641 2.498 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017609 QAMROWWTUJHEQP-HXUWFJFHSA-N 464.522 2.348 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1 1871500059 NRIAPUMDUITRFZ-UHFFFAOYSA-N 489.502 2.217 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2326943754 MHPGVWCZOXZOTO-UHFFFAOYSA-N 495.582 2.438 10 10 JECE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)cc(OC)c1O 2314831596 OASNVVNPLYSVLI-UHFFFAOYSA-N 468.553 2.372 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515879 KFBLJNQQDGRNKJ-INIZCTEOSA-N 453.522 2.304 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1760574605 MPGLDPGRRSVRCX-OAQYLSRUSA-N 453.591 2.099 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028871 AECZARUQZKEHMT-OAQYLSRUSA-N 492.532 2.142 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@@H]2c1ccc(O)c(O)c1 1865034169 QUEQROJYBBKTFG-CQSZACIVSA-N 468.432 2.277 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCCO)CC2)cc1 1870548338 CFWHOXZUEPHDJA-UHFFFAOYSA-N 459.587 2.365 10 10 JECE CCCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2297461011 FODFVFBGZWPVJG-UHFFFAOYSA-N 471.608 2.398 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2314832449 HISSPCQBPDQINV-QGZVFWFLSA-N 499.595 2.424 10 10 JECE CCCCN(C)C(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326943714 CQYRKZNCKCBNHP-UHFFFAOYSA-N 461.565 2.338 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C3(NC(=O)OCc4ccccc4)CC3)cc2)CC1 1632949601 CPKFWSLPVAXOHI-UHFFFAOYSA-N 450.539 2.430 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCO)[C@H]3c2ccc(O)c(O)c2)c1 1864011542 JKFWSUAWDHKNJK-NRFANRHFSA-N 464.522 2.071 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027540 JKCNJJUXCRHWFQ-HTAPYJJXSA-N 492.532 2.278 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034375 VHEKBAHFRQNNCT-OAHLLOKOSA-N 482.459 2.401 10 10 JECE CC[C@@H](C)NC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870526725 YOZSCRSFBOGOPJ-LJQANCHMSA-N 456.587 2.493 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCO)CC2)cc1 1870565900 ISOHLLHBUAMUNU-UHFFFAOYSA-N 468.554 2.355 10 10 JECE CCCCOCCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827065 QHZZWKWVHLMRGX-HNENSFHCSA-N 492.575 2.439 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865030731 PMTYUHNTRXYWTD-HXUWFJFHSA-N 483.569 2.042 10 10 JECE Cc1cc(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)n1-c1ccc(F)cc1 22002303 YDOCHAIJAZLBBC-GOSISDBHSA-N 489.525 2.125 10 10 JECE COc1ccc(NC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 585200436 FGLYKZNMOABQAJ-UHFFFAOYSA-N 462.572 2.367 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028980 CQWVTECCMFCCDW-NRFANRHFSA-N 478.549 2.440 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865033193 UIUNHHOJTPKQGC-HXUWFJFHSA-N 464.522 2.109 10 10 JECE CCOC(=O)CCCOc1cn(CCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870371472 GWLPQZCTSDVSGE-UHFFFAOYSA-N 487.597 2.284 10 10 JECE O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2294118703 RKVWNGUPYNKDSI-UHFFFAOYSA-N 476.464 2.306 10 10 JECE CC(=O)CCC(=O)O[C@@H]1[C@H](COC(C)=O)O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]1OCc1ccccc1 575449116 VUSNIPRUVGUYFN-RXZUFOQRSA-N 477.470 2.383 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1359381209 ATWBJHPAHNELGJ-UHFFFAOYSA-N 462.558 2.017 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865030869 SYNAPTVHTORQHI-HXUWFJFHSA-N 479.537 2.166 10 10 JECE O=C(Cn1nnc2ccccc21)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12929774 NIMDAEZINDDWHD-VCHYOVAHSA-N 467.532 2.178 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1 35962929 JAQSQLAPFKCHQQ-HSZRJFAPSA-N 469.561 2.413 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669029 GFHGOVBFVRPIAC-QFIPXVFZSA-N 479.606 2.389 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865034517 YCCQXVJKJXFOHB-SMDDNHRTSA-N 468.432 2.011 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867347583 XOOIOHUTRFZTFV-PKTZIBPZSA-N 456.562 2.326 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 33668121 LYIULJXBMPAPTM-UDKOXHGFSA-N 460.581 2.156 10 10 JECE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248220471 HQOSRGJOSSVGRX-GBWYYYKWSA-N 497.504 2.421 10 10 JECE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 1523199725 IQNRCBHWMMCJOH-KRWDZBQOSA-N 458.584 2.096 10 10 JECE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015259 NLRKBALNJXJOFT-ZBEGNZNMSA-N 490.438 2.494 10 10 JECE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCO)[C@@H]2c1ccc(O)c(O)c1 1864017285 JFEDMNUZIAJXGZ-LJQANCHMSA-N 480.521 2.183 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019157 HCHVXQNQMFTLCS-HXUWFJFHSA-N 464.522 2.362 10 10 JECE CCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)[nH]2)CC1 35926441 ACTRBUOEOSURCE-UHFFFAOYSA-N 482.629 2.330 10 10 JECE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 1443049397 PBMSFTRGWJTBGD-WEVVVXLNSA-N 453.539 2.013 10 10 JECE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1749842146 XSIGYQXJRNARGO-SBUREZEXSA-N 457.598 2.219 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011116 ZMQCCRAXZKONEC-NRFANRHFSA-N 470.489 2.393 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3C[C@H]3CCCO3)CC2)cc1 1870358094 SQQSXDUNXBVRPB-HSZRJFAPSA-N 457.571 2.119 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(C)CC3)nc12 2053493314 OBFGDSPJHFKSMP-INIZCTEOSA-N 485.635 2.135 10 10 JECE CCCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 102845033 CASMHJNPLNUCPL-BMRADRMJSA-N 473.624 2.440 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSc2nccs2)CC1 1722777934 RRAXVEIHAOLLFG-UHFFFAOYSA-N 472.600 2.233 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864012556 CXYAGIGWOZZHHN-IBGZPJMESA-N 484.553 2.280 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865027445 YIWOCZJZSLNSPE-RXSFTSLZSA-N 477.521 2.317 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3C[C@@H]3CCCO3)CC2)cc1 1870358095 SQQSXDUNXBVRPB-QHCPKHFHSA-N 457.571 2.119 10 10 JECE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 15822449 GQFFWFGSCPKPKR-UHFFFAOYSA-N 472.611 2.050 10 10 JECE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCCN1CCOCC1 2297471359 QEGFTQYOBNMBIT-UHFFFAOYSA-N 457.556 2.148 10 10 JECE C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2)C1=O 12021997 HDBQUCGAIXHOCI-IIBYNOLFSA-N 458.584 2.098 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 33861973 GXGAKOITBPIJJC-SAPNQHFASA-N 492.623 2.052 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864008252 GQUGDTZXCYPGKO-QDCXOEQJSA-N 466.538 2.034 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864014351 SNOZAXFNLZXMJV-OAQYLSRUSA-N 499.612 2.046 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864019243 WZZQGYGOUNRIPD-OAQYLSRUSA-N 492.580 2.394 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864021703 FTQQNARVDOQFKA-CQSZACIVSA-N 478.431 2.110 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862044741 SZMULXMARNVSNL-DHIUTWEWSA-N 455.530 2.389 10 10 JECE CCc1cccc(C)c1N1C[C@H](C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862187280 HYTCGYGGTFORJT-OAQYLSRUSA-N 478.593 2.384 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864021952 SBCAVAGKBREHKA-NRFANRHFSA-N 499.612 2.046 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865028833 ZJIWPGWGMPYENK-OAQYLSRUSA-N 489.532 2.010 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c(OC)c4)n(C)n3)CC2)cc1 1869969152 HKFFVGNYKRIUSY-UHFFFAOYSA-N 452.515 2.420 10 10 JECE CCN1CCN(C(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)CC1 1873544269 YKBMRYMZYIEXPW-UHFFFAOYSA-N 463.586 2.081 10 10 JECE CCN1C(=O)c2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1 21877636 KTMKPTFWJOSIEL-RUZDIDTESA-N 466.586 2.172 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254623298 JYBFGSCWHLWGJJ-OAQYLSRUSA-N 488.569 2.187 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1 743298779 GVZCPYWEUYXYKG-UHFFFAOYSA-N 467.570 2.111 10 10 JECE Cc1ccc(S(=O)(=O)NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1 1858688588 VTCYNNHDEMQZMV-UHFFFAOYSA-N 456.480 2.467 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012776 JADCLIZDSSQRCC-IBGZPJMESA-N 465.510 2.088 10 10 JECE COc1cccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O 248170744 VVDCHKPHAJIBBG-ORQYLMBXSA-N 488.880 2.111 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248220474 HQOSRGJOSSVGRX-PBQROFAYSA-N 497.504 2.421 10 10 JECE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864009234 CQDNWHJNHWQVCX-IBGZPJMESA-N 488.903 2.247 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OCC)CC1)[C@H]2c1ccc(O)c(O)c1 1865035218 OKJLTBKLSGLAAY-IBGZPJMESA-N 499.568 2.262 10 10 JECE O=C1CN(c2ccc(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)CCN1 109643257 PQUUNKOYFHZTMO-UHFFFAOYSA-N 462.407 2.291 10 10 JECE C[C@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)c1ccc(N2CCOCC2)cc1 920865447 CMIQSBRUIPWDEU-WMZOPIPTSA-N 473.551 2.000 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 1654958361 HVJWKBZQCPAATP-UHFFFAOYSA-N 456.568 2.063 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccn(CC(C)C)c3=O)CC2)cc1 1862017285 ZIWVPPPROPCTBI-JOCHJYFZSA-N 484.622 2.377 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015302 OCBIKDINYDLKKO-AWEZNQCLSA-N 469.464 2.003 10 10 JECE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035106 LJERIGNIJFHDGB-FQEVSTJZSA-N 496.951 2.456 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1 2680123 IBKPZRSPZXAEPZ-DHDCSXOGSA-N 450.519 2.203 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 727601988 HEFHQASEHFYAKM-IBGZPJMESA-N 489.642 2.128 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1861917884 DUZXRQXMFRMKLW-HXUWFJFHSA-N 456.524 2.467 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864009156 AXPMXFIQHIHNJG-NRFANRHFSA-N 483.569 2.082 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 1868609547 VYYJLTGAWLQFAN-SFHVURJKSA-N 450.539 2.289 10 10 JECE CN(C)c1ccc(CNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)cc1 8583679 JSMASOJOMQHSGR-UHFFFAOYSA-N 494.573 2.455 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CO)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860759339 XVLLQPAZECFXMY-LBPRGKRZSA-N 499.339 2.163 10 10 JECE COCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2296543689 YNXPOLALZQRISL-CQSZACIVSA-N 460.581 2.441 10 10 JECE COc1cccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O 248170746 VVDCHKPHAJIBBG-ZHSNQQFMSA-N 488.880 2.111 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 2297639461 ULRBNGIMRKCHGI-QGZVFWFLSA-N 486.594 2.002 10 10 JECE O=C(COc1ccc(/N=N/c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1)NCCNCl 2333268779 DZUXZGCHCJOCAX-SNBKPDPGSA-N 498.927 2.101 10 10 JECE CCn1c(=O)c(C2=NNC(=O)/C2=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21 101647297 HJUVHLQJJKWBKS-NBVRZTHBSA-N 484.516 2.355 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862153617 RMMQOTJKFFJHEU-YDMXYTAQSA-N 451.523 2.333 10 10 JECE CCOC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1 1865029557 PZBYAIHAHOZMTD-HXUWFJFHSA-N 499.568 2.254 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)OCCOc3ccccc3)CC2)cc1 1872678896 PWVJZUQSWAAZTF-UHFFFAOYSA-N 482.493 2.042 10 10 JECE COc1cc(C=C2SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 2314828057 PXZGDOKFVGDZNQ-UHFFFAOYSA-N 468.553 2.372 10 10 JECE NCCCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 247706478 FHBZGTDBZHFEBI-XWQURZDVSA-N 457.914 2.448 10 10 JECE CCOC(=O)COc1cccc(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 920255641 GLVAKDJBHSMVSP-VAWYXSNFSA-N 467.522 2.481 10 10 JECE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(Br)c2O)c1 1448964553 PBKZCOACGBVEIR-UHFFFAOYSA-N 455.330 2.342 10 10 JECE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1760602566 MJRGZKDQJURENQ-NTKDMRAZSA-N 453.635 2.388 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(O)CC2)=C(N)O3)cc1 1865034076 OJQBZQUKJACTBA-FQEVSTJZSA-N 492.532 2.185 10 10 JECE CCC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869068753 ROHUPMBWYBFEAM-HXUWFJFHSA-N 498.546 2.430 10 10 JECE CCCOCCOC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944789 ZJLIUEGVYPURGA-UHFFFAOYSA-N 478.548 2.049 10 10 JECE CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccncc4)CCC(=O)NCC3)cc2)CC1 257181060 FDKRIIVGYBPMMR-RUZDIDTESA-N 492.668 2.258 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)c2)CC1 1537422961 DTWBJXMWNFAXRC-INIZCTEOSA-N 456.568 2.318 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862116702 DJVODUDJNWWMKT-JOCHJYFZSA-N 469.563 2.484 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864023511 ZTCSIZWFVYIGPJ-HNNXBMFYSA-N 483.491 2.342 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865026671 QVWRJLKWXRRRBW-OAQYLSRUSA-N 482.512 2.326 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865035574 XBLHNIOZJOWESO-IBGZPJMESA-N 456.543 2.191 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@@H](O)[C@@H]2O 14677528 ROFMCMXCPNFONV-NHCUHLMSSA-N 464.382 2.038 10 10 JECE biogenic COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)N3CS[C@H](C(=O)O)C3)C2=O)cc1 102413363 YBAXASPNRTWIPV-CZAWJFPGSA-N 466.562 2.051 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S 102824318 CTXKMQVRJSYDSR-DTQAZKPQSA-N 462.597 2.425 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 1862308091 RMJCRTKBRXUBHC-UHFFFAOYSA-N 455.555 2.499 10 10 JECE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864008944 VRCHHAKVNCKSHS-NRFANRHFSA-N 480.521 2.210 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864017545 OOUSDLBEYUNCLY-YJYMSZOUSA-N 480.521 2.181 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871629303 FLZKQPGHBFPCBN-INIZCTEOSA-N 475.557 2.041 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 2245733 CXWIDYNRQNCSMT-BRYYZUPOSA-N 492.648 2.459 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865030528 LPEVOHPCGGECHR-KUHUBIRLSA-N 456.543 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cc1 1866341289 HIBJOEYYFXGNIX-UHFFFAOYSA-N 452.467 2.328 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccncc3)CC2)cc1 1870358513 AMPGDJMVYFZYFX-UHFFFAOYSA-N 464.566 2.384 10 10 JECE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)=N2)cc1 1871288086 WMTXFDVAYBAPDW-QGZVFWFLSA-N 466.581 2.085 10 10 JECE CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872717440 WMOLECZKOORORV-UHFFFAOYSA-N 461.584 2.453 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 102824375 KGGICRJRXOYVPM-FBMGVBCBSA-N 487.651 2.464 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(CCO)CC3)nc12 102900532 SVJOTWQPMGNRQJ-XDJHFCHBSA-N 499.662 2.261 10 10 JECE CC(=O)c1ccccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256037326 CAJKRBBZCRAUGN-FCHUYYIVSA-N 460.596 2.384 10 10 JECE COc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1OC 748990693 BQODVVPAKSNJFL-UHFFFAOYSA-N 455.539 2.276 10 10 JECE COc1cc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc(Br)c1O 1858595343 AJDWHJQDBVWVKX-OPWUTIMJSA-N 462.299 2.292 10 10 JECE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2294095117 JYZMQQFMQMOCHV-UHFFFAOYSA-N 476.464 2.306 10 10 JECE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 2294133716 CKWOWPXYPWAPBA-UHFFFAOYSA-N 454.435 2.312 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)cc2C)CC1 1359349624 AVJKOQFOEGNNLG-UHFFFAOYSA-N 467.618 2.384 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1540936109 QFDFGDFXMLZVMP-IBGZPJMESA-N 494.575 2.483 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCOCC2)cc1 1858074498 JOOLUPJAYPVBEW-XMMPIXPASA-N 486.638 2.340 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)cc1 1865027833 MCVBBYPNKMHQDS-QFIPXVFZSA-N 491.548 2.192 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2)CC1 1660786544 KVQRXPGSXRTMTA-UHFFFAOYSA-N 450.587 2.429 10 10 JECE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)C1 1865035677 YXGWJKZBMVHYQM-KXBFYZLASA-N 484.553 2.373 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3cnnn3Cc3ccccc3)CC2)cc1 1872639276 UKPADQOACAVDDM-UHFFFAOYSA-N 489.536 2.188 10 10 JECE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 2294061055 BLCXQPUKYPHRQT-UHFFFAOYSA-N 451.479 2.454 10 10 JECE C[C@@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314836518 GGQMMLNCVRHKMD-HTQZYQBOSA-N 459.343 2.334 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCC(NC(=O)c4ccoc4C)CC3)CC2)cc1 727476771 FGVMLXRSELOZAU-UHFFFAOYSA-N 469.586 2.323 10 10 JECE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)CC1 1508270120 XTDNTZFVCFJHKU-UHFFFAOYSA-N 481.626 2.361 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864007561 PIYQRETTXYEGTR-HXUWFJFHSA-N 450.495 2.439 10 10 JECE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873169291 ISFBPXPQDOYQNJ-UHFFFAOYSA-N 465.598 2.242 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010967 QRWGVSJQICWVOF-QKKBWIMNSA-N 494.548 2.436 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC)[C@@H]2c1ccc(O)c(O)c1 1864016178 JCUWSKUQOYTTQK-GOSISDBHSA-N 450.495 2.438 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCCOC(C)C)CC2)cc1 1870366959 FJNBCZNCGGTRCB-UHFFFAOYSA-N 459.587 2.365 10 10 JECE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCOC)[nH]1 1871556522 COZJXBCHDKMXBT-UHFFFAOYSA-N 463.586 2.415 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NC[C@H]3CCCO3)cc1C2=O 1873853534 PIDMJTBYYQRZLA-OAHLLOKOSA-N 451.431 2.221 10 10 JECE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2053511303 OAHJWRIYYNGWOP-INIZCTEOSA-N 485.635 2.135 10 10 JECE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)C[C@@H](C)O1 2314401268 VYCFUDMBHUPEGD-OKILXGFUSA-N 488.591 2.374 10 10 JECE CCOc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2314828697 VTBHGYWYOZMDDW-UHFFFAOYSA-N 493.588 2.278 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1 12022847 YXZAEZQMFJSEBK-NRFANRHFSA-N 472.611 2.488 10 10 JECE CC(=O)OC[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 33358912 NXSDPOSAOAWHFZ-OOCWMUITSA-N 475.669 2.181 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865027587 ZIOMUUAILQGMPY-QFIPXVFZSA-N 493.539 2.259 10 10 JECE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1865028357 SLLROBQPZXNTBF-LJQANCHMSA-N 458.515 2.026 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@H]2c1ccc(O)c(O)c1 1865034218 RPWVKXFZTWLEFD-AWEZNQCLSA-N 468.432 2.011 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865035727 ZYKQWXKYPFYOCC-LJQANCHMSA-N 455.559 2.124 10 10 JECE CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868789646 CLHVWSFPIOTWQW-CVDCTZTESA-N 464.566 2.292 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871728539 VEMUDZZGEKLADU-UHFFFAOYSA-N 471.565 2.352 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 102824392 YYIOIPWTPZNMCM-APVMCDBPSA-N 487.651 2.117 10 10 JECE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)ncn3)CC2)cc1 1858251327 PUPIBTISGCRVCI-UHFFFAOYSA-N 476.537 2.003 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(OC)cc4OC)C3)CC2)cc1 1858398929 BESAZZPPINPUPY-GOSISDBHSA-N 489.594 2.072 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 727842818 GIOGWKYBCZLGOY-IBGZPJMESA-N 487.626 2.024 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)cc1 742916412 HQARJFBVXFPGBS-UHFFFAOYSA-N 497.581 2.435 10 10 JECE CC(=O)N1CCN(c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[N+](=O)[O-])CC1 1523541531 GDJHQORFRNITSP-UHFFFAOYSA-N 453.499 2.369 10 10 JECE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812221 WHDYYQOGBHIBML-NJARGPEHSA-N 460.581 2.334 10 10 JECE CCN1CCC(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861972665 YOLYKUSCEAXUOL-QFIPXVFZSA-N 462.660 2.314 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017597 PQXHFOJRAHZEPM-HXUWFJFHSA-N 480.521 2.048 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865032182 XLYQIIKESYWEDT-APWZRJJASA-N 462.506 2.176 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)N4CCN(C(C)=O)CC4)[C@@H]3C2)cc1 169679420 VERQQNIZZUOEKR-RSXGOPAZSA-N 478.593 2.262 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725388224 VIOYVRIDZZMVTQ-KZFLWGQDSA-N 482.518 2.366 10 10 JECE CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918436760 BLZHBQILCVSWIQ-UHFFFAOYSA-N 457.552 2.437 10 10 JECE CC(=O)c1cc(F)cc(CN2CCN(c3ncc(I)cn3)CC2)c1O 1654442893 OSGQMVVXWCJQAW-UHFFFAOYSA-N 456.259 2.451 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864010649 VHGUFTQFBMFNHO-OAQYLSRUSA-N 470.489 2.393 10 10 JECE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012888 LNXUJSRRCDBVAM-NRFANRHFSA-N 478.549 2.407 10 10 JECE CC(=O)N1C(=O)C(=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 2294850857 IHNFFVYYGZZHHS-LURJTMIESA-N 455.311 2.387 10 10 JECE CN(C)c1ccc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1Br 2297352631 HQXBZNCQXWLFFZ-UHFFFAOYSA-N 463.361 2.424 10 10 JECE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(N)=NC3=O)c3ccccc32)cc1 54201892 DYJSUHHJBPLGDM-ISLYRVAYSA-N 450.476 2.148 10 10 JECE COc1cc(N2CCC(NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(OC)c1OC 1858044403 RGVOUKKGGYCEFQ-UHFFFAOYSA-N 464.540 2.431 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018668 QJYAPMUREUBKSH-XCLFUZPHSA-N 482.512 2.236 10 10 JECE COc1ccccc1C(=O)N[C@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916003 JGSFMMLNIWZNSH-DHIUTWEWSA-N 468.598 2.195 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc(Br)c1O 33387787 SIFWDWNISFECFU-POHAHGRESA-N 454.345 2.252 10 10 JECE C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)CS2 800366589 DZVNQKBNCPRNAN-MZNJEOGPSA-N 464.499 2.398 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)cc2)CC1 1466881462 CDIRXYGSJPIGJC-FQEVSTJZSA-N 452.530 2.472 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865026501 OMZIPQHJDGUWIX-OAQYLSRUSA-N 482.512 2.326 10 10 JECE Cc1occc1C(=O)NC1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 727437490 SLGZZQVRDLITTN-UHFFFAOYSA-N 458.534 2.074 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCN(C)C)=C(N)O3)cc1 1864021397 BJWSDLHFMREXQQ-FQEVSTJZSA-N 493.564 2.269 10 10 JECE CC(=O)Oc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301619 FLIMEFXBGFTUQQ-DQEYMECFSA-N 496.608 2.112 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CC[C@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868822874 GXYZPLMUGNJVHS-NBGIEHNGSA-N 499.633 2.416 10 10 JECE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008986 WLTPYJHYMRWMRE-FQEVSTJZSA-N 450.495 2.202 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864014060 MKFLWFNQBIRRSO-IBGZPJMESA-N 457.575 2.419 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027542 JKCNJJUXCRHWFQ-VGOFRKELSA-N 492.532 2.278 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2 1865030589 MOVZRCMVRIGNGE-LJQANCHMSA-N 472.542 2.373 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868960819 BGWRFNXRDSFIGY-UHFFFAOYSA-N 450.495 2.437 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)CC2)cc1 1318057085 GUBVHSXOSFLPIG-UHFFFAOYSA-N 472.630 2.133 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012284 WTXCGYBAFAEWBV-IBGZPJMESA-N 470.913 2.108 10 10 JECE CCCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574034 OQNCNEKINZLWDE-UHFFFAOYSA-N 452.559 2.289 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 4057958 YGZICXHXLWTFPR-HXUWFJFHSA-N 488.635 2.204 10 10 JECE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724078 ZPAHFCRBEKTILT-GRRFOWRYSA-N 478.621 2.213 10 10 JECE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1359384029 NJEUPIHKSFOMFN-VWLOTQADSA-N 470.618 2.410 10 10 JECE COc1cc(N2CCC(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc(OC)c1OC 1858043979 FAPVBJSCADXCQG-UHFFFAOYSA-N 477.583 2.362 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862169785 WVDCLDCTVCNOAR-RDGATRHJSA-N 490.604 2.384 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864013481 XCVSDDNZBGOACB-HXUWFJFHSA-N 478.553 2.003 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026500 OMZIPQHJDGUWIX-NRFANRHFSA-N 482.512 2.326 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040499160 UKVJTZDGHKDAOA-UHFFFAOYSA-N 487.651 2.383 10 10 JECE CC(=O)OC[C@@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 1083803687 NXSDPOSAOAWHFZ-UHFZAUJKSA-N 475.669 2.181 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029617 ROLKJCGFIRIJNN-HXUWFJFHSA-N 464.522 2.381 10 10 JECE C[C@@H](NC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15038784 BTVJBSRTLWJMFR-HLPMDPMVSA-N 459.343 2.335 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)[C@H](C)C1 1596142415 DZHBPBDRAHLVGW-CQSZACIVSA-N 451.622 2.112 10 10 JECE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)CC1 1705647150 BITPSSNXZMGDKD-UHFFFAOYSA-N 470.628 2.283 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865034516 YCCQXVJKJXFOHB-RISCZKNCSA-N 468.432 2.011 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCOC)C2=O)CC1 2040501058 VNSJMNKYJJXYEV-UHFFFAOYSA-N 473.624 2.074 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 1309400492 GFNPNHXOFLQOHM-UHFFFAOYSA-N 453.568 2.078 10 10 JECE NC(=O)C1CCN(CC(=O)NC=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 2297502284 IGDKJPUJYWHUIB-UHFFFAOYSA-N 488.573 2.245 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 2297639219 DRXYPGJWJRWFHW-QGZVFWFLSA-N 498.536 2.013 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2109167 XMOQZMYDYWTCTR-WLJFKGHSSA-N 479.606 2.215 10 10 JECE CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 8600858 FNHAORYHGUOMAK-UHFFFAOYSA-N 468.579 2.311 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 16953951 RVBPHUPEDSBTRH-UHFFFAOYSA-N 489.619 2.279 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865032185 XLYQIIKESYWEDT-VQIMIIECSA-N 462.506 2.176 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccccc3F)CC2)cc1 1872677433 AJWOEIPSOPOXJQ-UHFFFAOYSA-N 455.446 2.197 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873170978 ZFGZUKCLNQPNPS-UHFFFAOYSA-N 491.636 2.190 10 10 JECE O=C(COc1ccc(/N=N/c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1)NCCNCl 2333268778 DZUXZGCHCJOCAX-QLRFGTIISA-N 498.927 2.101 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C4CCN(S(C)(=O)=O)CC4)n4ccccc34)CC2)cc1 1858342396 ZPWRXSFQVJISII-UHFFFAOYSA-N 497.621 2.444 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccccc3OC)CC2)cc1 1862268605 XCJCKDBSUHUQRM-NRFANRHFSA-N 453.539 2.422 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007807 VJCPPAQICVWBSP-OAQYLSRUSA-N 480.521 2.448 10 10 JECE Cc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867330902 KPBLULREVXQDLD-ZEQRLZLVSA-N 452.599 2.495 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1 20488616 MTUIGIQSASNGFB-UHFFFAOYSA-N 451.483 2.026 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 102994653 RQXGDKVVTJMJNG-KFXAOSDLSA-N 496.570 2.434 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(C(=O)c5ccco5)CC4)ncn3)CC2)cc1 1858251142 GNKXGRXEDZGZDM-UHFFFAOYSA-N 476.537 2.003 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)N(C)C3CCCCC3)CC2)cc1 1872683321 RVEVYDIMAAOODM-UHFFFAOYSA-N 457.531 2.211 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(OC)c4)n(C)n3)CC2)cc1 1869969307 LHQCEYHMNHQSGR-UHFFFAOYSA-N 452.515 2.176 10 10 JECE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2180455012 DVIDLXQQMIOLPE-ROUUACIJSA-N 474.510 2.320 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2 35963063 OUMHUQLGXPTWLK-JOCHJYFZSA-N 495.580 2.002 10 10 JECE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cc(C)on3)c3ccco3)CC2)cc1 38619565 XAUCKRDZSURAQA-IBGZPJMESA-N 453.499 2.203 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N1CCOCC1 40937921 DMWQHXUTXHXZJM-QGOAFFKASA-N 494.591 2.087 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012808 JTDFQDIWCUJWPY-BTYIYWSLSA-N 478.549 2.487 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865035197 NXISWEWKFMTLBM-IFXJQAMLSA-N 456.543 2.192 10 10 JECE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(N)=O)c4ccccc43)SC2=S)cc1OC 95927350 HYHZJKPEOCYWFS-FMQUCBEESA-N 483.571 2.350 10 10 JECE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CC1 1705651003 GGUSYILVJNRMRH-UHFFFAOYSA-N 487.655 2.005 10 10 JECE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864016988 BQSFYDZPHNLCDF-GOSISDBHSA-N 470.913 2.302 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018247 GPOJESOXKDBECM-ZUOKHONESA-N 482.512 2.236 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028985 CRHYXFWPZNDZPZ-OAQYLSRUSA-N 494.548 2.390 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 1868775573 OEYWVAGMPZRSOJ-UHFFFAOYSA-N 460.481 2.156 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969920 JWDQSFTVBRLALX-UHFFFAOYSA-N 493.568 2.076 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2C=C2C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 2297307470 YXJILTLZWITXPD-UHFFFAOYSA-N 460.874 2.379 10 10 JECE CN1CCN(c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])CC1 2313548026 JELWILZAVHXUSL-UHFFFAOYSA-N 463.494 2.051 10 10 JECE COCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 6288693 BWVSHXWQNQYBSP-MOSHPQCFSA-N 460.490 2.066 10 10 JECE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 16909906 YUTBKMHIAQVKEZ-XNTDXEJSSA-N 450.519 2.245 10 10 JECE O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1 33262129 QBQZFOZMYIMLKT-UHFFFAOYSA-N 499.593 2.223 10 10 JECE CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1760596735 UMWXBKPKSAOEBB-UHFFFAOYSA-N 485.658 2.076 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865028663 XMZHXMGQHKUZEF-OAQYLSRUSA-N 464.522 2.186 10 10 JECE CCOC(=O)CCOc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870450929 OFSQCIOAVQJQOJ-UHFFFAOYSA-N 473.570 2.158 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN(C)C(=O)c3ccc(Br)o3)CC2)cc1 742916147 DDNIQIFRAOJIHK-UHFFFAOYSA-N 479.375 2.061 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1864012626 FNXGUOHLUMWXCG-BTYIYWSLSA-N 492.532 2.435 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013067 PKAZPPLLYOARCE-HXUWFJFHSA-N 464.522 2.098 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865030722 PJJYSUZHUXDASP-FQEVSTJZSA-N 497.596 2.321 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC(C)C)cn3CCCN(C)C)CC2)cc1 1870512356 ULURQSKTARHUEI-UHFFFAOYSA-N 499.656 2.034 10 10 JECE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 33456280 YMSLEMXVOLZCLB-DHDCSXOGSA-N 454.391 2.452 10 10 JECE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 100147513 PORMOFPWUQBXQL-XDHOZWIPSA-N 486.531 2.048 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)cc2)CC1 1625192702 HSWUYOQUHOCJLT-UHFFFAOYSA-N 453.568 2.060 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)O)nc(O)c4c3)CC2)cc1 1858512339 KDVKUIOPWUMPJM-UHFFFAOYSA-N 454.508 2.483 10 10 JECE CCCCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873583904 JJZOCOMCVKDRMA-UHFFFAOYSA-N 493.612 2.433 10 10 JECE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2271985282 GIRNRDZHCNYLAS-UHFFFAOYSA-N 467.519 2.390 10 10 JECE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2365470001 AARBFJPDAHWRSH-CVEARBPZSA-N 483.562 2.190 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCOC)C2=O)CC1 102987272 VNSJMNKYJJXYEV-BMRADRMJSA-N 473.624 2.074 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ncnc5sccc45)CC3)CC2)cc1 743358152 FSFDPQASHOHWOZ-UHFFFAOYSA-N 481.626 2.354 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865025671 BKVCNEBPVJZYPP-OAQYLSRUSA-N 482.512 2.326 10 10 JECE Cc1cc(C=CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2040479929 DBSFGRJMLCPUJV-NRFANRHFSA-N 471.579 2.167 10 10 JECE CCN(C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 2297471618 ZSNCGYYCHHGAPD-HNNXBMFYSA-N 470.638 2.457 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cnn(C)c4C)c(=O)n32)cc1 2787322 GZSLRTQDSCXHIR-VLOXRPPESA-N 479.606 2.296 10 10 JECE COCCNC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826365 DWCPNAFSSVZGAL-GZTJUZNOSA-N 461.565 2.470 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034161 QPHKWCVALPGFML-OAHLLOKOSA-N 481.475 2.192 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871666827 ZZTSLLRBJQNRRO-UHFFFAOYSA-N 493.612 2.377 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)cc2)CC1 1296400873 UMVDFSBNRNOMAZ-XMMPIXPASA-N 454.546 2.184 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@@H]2c1ccc(O)c(O)c1 1865032009 SVNADMCVMPJXBV-LJQANCHMSA-N 462.506 2.176 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccnn3CC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254317387 KZGZCCAITCUIJL-OAQYLSRUSA-N 465.579 2.081 10 10 JECE CC[C@H](Oc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 1772761468 HUZWNNMJIWQCTR-ZZHYBKPNSA-N 453.494 2.448 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026340 MDFIGHFNQRXLPN-QFIPXVFZSA-N 494.523 2.468 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(O)CC2)=C(N)O3)cc1 1865034077 OJQBZQUKJACTBA-HXUWFJFHSA-N 492.532 2.185 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2225622739 LIVDCRHNGLQZGH-YDHLFZDLSA-N 451.745 2.239 10 10 JECE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33386062 CFUGZRPPPCCNBU-LDADJPATSA-N 457.625 2.461 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H]2CO)=C(N)O3)cc1 1865033570 CUFUVVCAESJRAK-OXQOHEQNSA-N 492.532 2.185 10 10 JECE CC(=O)NCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866799699 OUVOTCKKEXJYBQ-QHCPKHFHSA-N 499.523 2.360 10 10 JECE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](O)COc2ccc(N)cc2)C1 2106769264 VYOKPNSFWSPHEH-NRFANRHFSA-N 457.571 2.493 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O 2296330971 LTHPARAGBNYZON-IBGZPJMESA-N 492.488 2.026 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 2297639272 HOTPAPZVWJPUEF-KRWDZBQOSA-N 498.923 2.363 10 10 JECE CCOCCOC(=O)[C@@H](CC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944865 UPHIAYNLYGTSAY-CQSZACIVSA-N 492.575 2.438 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(CC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2797904 JYWCHZIFXMCZBE-JAORQVBISA-N 465.579 2.081 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)c3ccccc3)CC2)cc1 1862185726 JUDJQTAYKDSUOO-PXDATVDWSA-N 478.593 2.458 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2 1864019527 LDHFHXROODUNEP-LJQANCHMSA-N 478.505 2.191 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)c(OC)cc4[N+](=O)[O-])n(C)n3)CC2)cc1 1869969646 SIFOQIBMAXSDEL-UHFFFAOYSA-N 497.512 2.328 10 10 JECE COc1cc(N2CCC(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)CC2)cc(OC)c1OC 1858044305 MZGPKLRMNNTLRP-HNNXBMFYSA-N 459.465 2.351 10 10 JECE O=C(NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 2297534261 BCPMIXGWRFIWPT-UHFFFAOYSA-N 490.226 2.351 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)CC2)cc1 1858401203 FSNZPXORYAYLKD-IBGZPJMESA-N 473.595 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4cccc(F)c4)c3=O)CC2)cc1 1862028162 CCJNUOFWOMHFNU-UHFFFAOYSA-N 478.524 2.123 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010758 BMODWFXWFZGAGA-MPBGBICISA-N 484.940 2.496 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864018193 FHRPUIAERYWFJW-OAQYLSRUSA-N 492.580 2.394 10 10 JECE COc1ccc(Nc2nc(=NC[C@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561285 DWQDFHBTRXRRLD-KRWDZBQOSA-N 465.558 2.174 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccc4oc(=O)ccc4c3)C2=O)cc1OC 9061073 KKYRGOYJDPKWBG-GHRIWEEISA-N 463.446 2.427 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 1861884242 YFRORKRPLYSLKE-HXUWFJFHSA-N 478.593 2.401 10 10 JECE O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)NCC1CC1 72320680 NGFAYFCGFRCZFZ-VXKWHMMOSA-N 484.641 2.166 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1CCc1ccccc1 137979374 OEZYXBVSAMHHLR-SLGSNKHJSA-N 483.524 2.304 10 10 JECE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690835049 UMBUBIPURXLXJC-DEOSSOPVSA-N 474.581 2.241 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864018628 PLCUUBZHIRMIPH-FOIQADDNSA-N 477.521 2.231 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865034856 GJRSERQWHGQVFJ-FQEVSTJZSA-N 482.512 2.189 10 10 JECE COc1cc(/C=C2\SC(N3CCN(Cc4ccc(F)cc4)CC3)=NC2=O)ccc1OCC(N)=O 206401245 CNJQUYMPCNPCEV-BKUYFWCQSA-N 484.553 2.487 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1 1864008473 KXEZMZQGIVACMZ-SZNDQCEHSA-N 464.522 2.151 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865032038 UGDWVFZENVCTFJ-QRWLVFNGSA-N 476.533 2.424 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869058175 CYCAQQICSKJXMI-SFHVURJKSA-N 463.991 2.339 10 10 JECE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015258 NLRKBALNJXJOFT-MEDUHNTESA-N 490.438 2.494 10 10 JECE COCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870477342 FUFWMJPRURXHAE-UHFFFAOYSA-N 473.570 2.156 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014224 PRQWCDLWPNRYCJ-IBGZPJMESA-N 466.542 2.433 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865419472 UKILPPHBKJYSOX-NRFANRHFSA-N 474.565 2.430 10 10 JECE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206869055 ZHJLNBVYJMSIMK-JXAWBTAJSA-N 478.592 2.469 10 10 JECE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC)CC1 1705645406 SSODPCFFQPSUAS-UHFFFAOYSA-N 487.608 2.455 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(=O)OCC)CC1)=C(N)O2 1865030858 SSAFUWHQMNTEDX-IBGZPJMESA-N 499.568 2.262 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2313503243 IXICNQXZZJLPNK-UHFFFAOYSA-N 483.477 2.464 10 10 JECE CN(C)c1ccc(CNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 9830660 WDHMPJYDGPZIIN-UHFFFAOYSA-N 472.567 2.198 10 10 JECE COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 210453792 JIPVTCMTGTZRKL-YBEGLDIGSA-N 480.545 2.253 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@@H]2c1ccc(O)c(O)c1 1865034049 NWOKAWHMPYFICF-LJQANCHMSA-N 480.521 2.135 10 10 JECE Cc1ncc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)[nH]1 727353510 UZKZLRZMUIYOTF-UHFFFAOYSA-N 450.498 2.091 10 10 JECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN(Cc4cscn4)CC3)cc2)C1 727600369 IBNRZTNIUNONDS-IBGZPJMESA-N 456.616 2.262 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N3CCC(O)CC3)cc2)CC1 1625193115 OHLNDQLFIHPLJS-VWLOTQADSA-N 450.583 2.169 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864008530 MDKDMXMYOJEPGL-NRFANRHFSA-N 474.521 2.460 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cn(C(C)C)cn4)C3)CC2)cc1 64958286 WBQDMYIAULTIGF-IBGZPJMESA-N 475.615 2.222 10 10 JECE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl 102516725 IGFDILJWXITXRZ-VKDGWMQASA-N 485.924 2.463 10 10 JECE CCO[C@@H]1c2cc3c(CN(C)C)c(O)ccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@@]3(O)CC 504625136 KQWVOLZADNLIFA-ILBGXUMGSA-N 465.506 2.382 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865029962 ZFVAYYRXGNODMR-IBGZPJMESA-N 455.559 2.031 10 10 JECE COc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933099 SSESONZKVDGJAW-AWEZNQCLSA-N 466.581 2.471 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3C)CC2)cc1 11796528 WWRHGGOELSWLBY-UHFFFAOYSA-N 461.584 2.041 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 16915759 OYLUOLZRMXZXRN-QGOAFFKASA-N 466.581 2.472 10 10 JECE CCOCCOC(=O)[C@@H](CC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827182 UPHIAYNLYGTSAY-MGPWXQLLSA-N 492.575 2.438 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2040498525 LYIULJXBMPAPTM-OKILXGFUSA-N 460.581 2.156 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4cnccn4)n3)CC2)cc1 585187037 GHJVSLZVTAOYLS-UHFFFAOYSA-N 452.540 2.475 10 10 JECE Cc1cc(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)c(C)n1-c1ccccc1 730582758 GRSHCPRQGXFPQC-UHFFFAOYSA-N 450.630 2.314 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871588320 AEAUIMSZZIDGAL-KRWDZBQOSA-N 474.569 2.068 10 10 JECE CCN(CC)c1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 2297468379 IZQQXHGHOWQDNH-UHFFFAOYSA-N 454.556 2.401 10 10 JECE CC(=O)c1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40319040 GLZWRCSTQIEHLS-DHIUTWEWSA-N 460.596 2.384 10 10 JECE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864018892 CSHKLZCVAXKMRM-NRFANRHFSA-N 478.549 2.325 10 10 JECE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2294095700 ZEJOGDWSTOPGDV-UHFFFAOYSA-N 458.474 2.167 10 10 JECE CN(C)c1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 8596104 KIVGMTCBTHPDBY-UHFFFAOYSA-N 488.635 2.292 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 205691505 INZYINPSIRDXRO-LFIBNONCSA-N 492.560 2.472 10 10 JECE COc1cc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc(Br)c1O 1858592041 GZCQVJXRBYROAR-CAXXOGMASA-N 475.342 2.083 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864016655 UULNMXOWAMLNCL-VQIMIIECSA-N 462.506 2.488 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C(=O)OC(C)(C)C)C1CCNCC1)=C(N)O2 1865028224 RXGXKUQBTMMEJU-IBGZPJMESA-N 499.568 2.350 10 10 JECE CCNC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870524871 RXVNCPQLOAZYRW-UHFFFAOYSA-N 456.587 2.350 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCCCO)n4C)CC2)cc1 1873568715 UVAQXOSIWVXEMR-UHFFFAOYSA-N 452.559 2.196 10 10 JECE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 2296285283 BJKUTXRWWBOIDU-UHFFFAOYSA-N 451.176 2.366 10 10 JECE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1301672411 PLFRAFHAIQTYSE-JOCHJYFZSA-N 497.644 2.148 10 10 JECE CN(C)c1ccc([C@@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1858074639 PFHQNNJIEKBQLD-HSZRJFAPSA-N 484.622 2.495 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1864014917 FYBMFULMEWFUNX-CQSZACIVSA-N 461.400 2.256 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028406 UJJNRTCIQAMZSJ-UTKZUKDTSA-N 462.506 2.270 10 10 JECE CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546256 ILBFYZOUYDPJLJ-UHFFFAOYSA-N 463.586 2.174 10 10 JECE CCCc1c2c([nH]c(=O)c1C(=O)OCC)C(=O)c1[nH]c(=O)c(C(=O)OCC)c(CCC)c1C2=O 196310913 LKGMHWYLBUWLJS-UHFFFAOYSA-N 470.478 2.097 10 10 JECE COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)CC2)cc1 726365279 LBOFPANXBKJVHX-JOCHJYFZSA-N 476.455 2.353 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017498 NVGZMAXTGJAFMZ-BFUOFWGJSA-N 450.495 2.038 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865028130 PYWUQXALRALHLY-NRFANRHFSA-N 479.512 2.322 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)C3CCN(c4nccc(C)n4)CC3)CC2)cc1 65001715 IMETUACKTBEQPL-UHFFFAOYSA-N 452.603 2.339 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1 742947564 GOWHIIVBBRIRGK-UHFFFAOYSA-N 489.642 2.003 10 10 JECE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)CC1 1301749212 ICZIBLMIAJWOLI-UHFFFAOYSA-N 450.591 2.231 10 10 JECE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015225 MROWXNOVGKOBNI-CQSZACIVSA-N 470.448 2.476 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864008700 QANLLZFRAXGDGE-WLRWDXFRSA-N 470.913 2.437 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@H]2c1ccc(O)c(O)c1 1864021310 AITBCYNYRCZQAE-HNNXBMFYSA-N 492.458 2.500 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871485428 YVFZNPRAVCLOOP-UHFFFAOYSA-N 462.602 2.076 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314828745 WZWJWVHOSSKETM-UHFFFAOYSA-N 492.560 2.472 10 10 JECE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2314835500 KCSHIKJTANEZKW-UHFFFAOYSA-N 493.588 2.239 10 10 JECE CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)[C@H]2CCS(=O)(=O)C2)cc1 40325774 LGXMKUMWLDPTOA-UPVQGACJSA-N 483.634 2.360 10 10 JECE O=C(CNCc1cc(Cl)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860721639 ZBIAWOCOBKBNDS-UHFFFAOYSA-N 474.366 2.448 10 10 JECE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 2040500238 BVSMRXIPOQPSRI-INIZCTEOSA-N 487.651 2.117 10 10 JECE O=C(O)CN1C(=O)/C(=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c2ccccc21 210233515 KLZAVRAISRROIC-FOCLMDBBSA-N 484.467 2.290 10 10 JECE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Br)o4)n(C)[nH]3)CC2)cc1 1869970135 ZPDOQMKOSZJHBH-UHFFFAOYSA-N 461.320 2.180 10 10 JECE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869971068 WRNCQSZTBOLSLL-GOSISDBHSA-N 476.603 2.102 10 10 JECE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2165755048 BRPPYJWITSBCMP-UHFFFAOYSA-N 475.590 2.473 10 10 JECE CC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862045591 VBIAIOGVMXYJIB-FQEVSTJZSA-N 456.499 2.469 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864023204 VQLYYNWJMIZCDX-HNNXBMFYSA-N 483.491 2.486 10 10 JECE CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872724638 IGWPXLKQJSQSBO-GOSISDBHSA-N 461.584 2.500 10 10 JECE CCCCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498981 RHVDORURPXMBGL-UHFFFAOYSA-N 487.651 2.119 10 10 JECE O=C1C(=Cc2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314414385 XRXXVBWLPXMYRM-CQSZACIVSA-N 490.632 2.437 10 10 JECE O=C(O)CCCNC(=O)CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314829202 ZMGHPGZPMIHIBZ-UHFFFAOYSA-N 459.343 2.337 10 10 JECE CCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)nc2cccnc21 33259416 LAFLHZKUNPKHTI-LJQANCHMSA-N 476.581 2.385 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 210700728 LEYHIDQGJMRPQO-LFIBNONCSA-N 463.562 2.270 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864009122 ZVHFAHVHSCAVOV-JOCHJYFZSA-N 477.565 2.414 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027038 DJWMMIFVPGOXQK-NRFANRHFSA-N 464.522 2.436 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030282 HGUFXWNCJUECKY-HNAYVOBHSA-N 456.543 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1868782103 CXKBSYIWTWKMGF-IBGZPJMESA-N 464.566 2.292 10 10 JECE CC[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862018299 LMAOAEDYSRZRSS-JOCHJYFZSA-N 454.571 2.370 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864016618 UGVRQEZIVJZNPZ-ACJLOTCBSA-N 450.495 2.173 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2295979409 HFOUKGOEUXHDPB-GASCZTMLSA-N 474.608 2.464 10 10 JECE O=C(O)CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S 2314482423 KTCAMSFCUIHRMT-UHFFFAOYSA-N 480.505 2.355 10 10 JECE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990268 RBNQZKRGWGZTFG-KVUXKXQGSA-N 490.607 2.338 10 10 JECE O=C(O)/C=C/C(=O)N1CCC2(CC1)COC(=O)N2c1ccc2c(c1)C(=O)c1ccccc1C2=O 821277260 MSTZKZNXQHQMCG-BQYQJAHWSA-N 460.442 2.421 10 10 JECE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1565532147 NZWAHZQUPJZOFJ-QSXDINTFSA-N 453.470 2.000 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1595924148 DSNLHOKOVWGTHK-UHFFFAOYSA-N 471.581 2.215 10 10 JECE CCc1sc(NC(=O)C(=O)N=c2nn[nH][nH]2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750672 ZJHACXGYOXVYIK-UHFFFAOYSA-N 479.316 2.039 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861940619 FLRAUCJBQOVOQX-GOSISDBHSA-N 455.555 2.499 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016781 XAOCBCLAYOSKMX-LJQANCHMSA-N 463.538 2.354 10 10 JECE Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875392 SOAHPFZSXQTKSR-VWNXMTODSA-N 497.596 2.403 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869970459 JUDIMQCWZCIUDR-FQEVSTJZSA-N 496.593 2.225 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCCCO)CC2)cc1 1870359624 DPHLJHLTMGABOO-UHFFFAOYSA-N 459.587 2.103 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CO)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860759338 XVLLQPAZECFXMY-GFCCVEGCSA-N 499.339 2.163 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1 1864014880 FLLSIIQOHDAODM-AWEZNQCLSA-N 461.400 2.256 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865033442 ZUWORUSZWFCJNT-NRFANRHFSA-N 494.548 2.390 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3cccc(C)c3)CC2)cc1 1870666386 KBKGPFHXNMRPTD-UHFFFAOYSA-N 476.577 2.400 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 16915095 LSQPHBFGTOVPBP-SFQUDFHCSA-N 452.554 2.082 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccn(C)c3=O)c3ccccc3)CC2)cc1 1862023685 FJYIRADOUIUQLD-HSZRJFAPSA-N 460.534 2.214 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCC(=O)O 210459457 OQFDKRMTMVVVJI-YBEGLDIGSA-N 459.505 2.490 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 742927086 HREVOZMQCHGWKR-UHFFFAOYSA-N 483.525 2.230 10 10 JECE COc1ccc(N2CCN(C(=O)CN3C=Cc4cc(OC)c(OC)cc4CC3=O)CC2)cc1 1860303113 YHSSIYLYUABFIO-UHFFFAOYSA-N 451.523 2.417 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864012208 UOURFGYIZPICFX-FQEVSTJZSA-N 468.485 2.247 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CC(O)C3)n4CC(C)C)CC2)cc1 1873550859 PFYHOKHGNTZZSW-UHFFFAOYSA-N 464.570 2.239 10 10 JECE CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c(C)c1 56966100 WFTQVEUHXWNJQC-UHFFFAOYSA-N 460.600 2.453 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c4cc(Br)ccc4[nH]3)CC2)cc1 1858521955 RZRJVTRVBXALON-UHFFFAOYSA-N 472.343 2.289 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012777 JADCLIZDSSQRCC-LJQANCHMSA-N 465.510 2.088 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864020109 WFELJWJGFNDFAY-HXUWFJFHSA-N 474.521 2.324 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864022996 TXKQWXPKGBKTBG-HNNXBMFYSA-N 483.491 2.486 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865030175 DYFOCRQMAIIQFF-LJQANCHMSA-N 484.553 2.327 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1Cl 2296398184 ZMOKFPVCEOVQIO-UHFFFAOYSA-N 460.826 2.487 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008554 MWDWCANJGSHFAU-NRFANRHFSA-N 463.538 2.273 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531591 FXMCMUYQZRXWAU-UHFFFAOYSA-N 462.558 2.184 10 10 JECE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCCO)cc1 2297511329 BUYJHNHMLPCOMK-UHFFFAOYSA-N 479.356 2.438 10 10 JECE O=C(O)CN1C(=O)/C(=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 33607400 QGLHZICYIJSLGU-HEWTWTGNSA-N 468.512 2.385 10 10 JECE Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C1)OCC(=O)N2 35378973 FMPZVJLMOJAHFZ-GOSISDBHSA-N 486.594 2.109 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@H]2c1ccc(O)c(O)c1 1864016580 SSCNNIUSWDOQFT-FQEVSTJZSA-N 491.548 2.318 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030602 MSMHBYQPMXDQSU-IIBYNOLFSA-N 491.548 2.309 10 10 JECE CC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868806689 DMHHXNWONHRQMG-VWLOTQADSA-N 480.609 2.318 10 10 JECE O=C1C(=Cc2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314414384 XRXXVBWLPXMYRM-AWEZNQCLSA-N 490.632 2.437 10 10 JECE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCSCC2)SC1=S 33392903 OKCCYNWFWFZSRR-LFIBNONCSA-N 464.638 2.356 10 10 JECE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 35273565 JAYYCKRQEWIZOO-GRRFOWRYSA-N 478.621 2.151 10 10 JECE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066596 UKPZFUBYNGACRI-PXNMLYILSA-N 454.533 2.463 10 10 JECE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1 1871034968 OFDUEFJCKMYPLO-UHFFFAOYSA-N 478.549 2.434 10 10 JECE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1 2297345113 RPCKVJVXPYHZPS-UHFFFAOYSA-N 458.477 2.354 10 10 JECE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348165 NTSQGPOJDIHSSJ-UHFFFAOYSA-N 475.464 2.485 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3sc(-c4ccn(C)n4)nc3C)cc2)CC1 1556199758 VANOROKNAXNPMP-UHFFFAOYSA-N 452.584 2.379 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873164809 SWZYMIHDQHCJMV-UHFFFAOYSA-N 479.625 2.048 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2136258398 IQKHYKKFZFOXOA-GJZGRUSLSA-N 467.519 2.201 10 10 JECE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 2297363952 HVQJIKMAXRGLIP-UHFFFAOYSA-N 455.379 2.123 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)O)sc(C)c1-c1ccc(OCC)cc1 1860762837 SUVHLTICECEHJP-GTNSWQLSSA-N 478.523 2.188 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(O)cc4)n(C)n3)CC2)cc1 1869969452 NMICEYMXVIDNQB-MRXNPFEDSA-N 452.515 2.262 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3ccc([N+](=O)[O-])cc3)CC2)cc1 1872628596 MBKQRTFMSHPGNA-UHFFFAOYSA-N 453.455 2.457 10 10 JECE CC(C)N1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)C(=O)N(CCc2ccccc2)C1=O 102238780 OCOYMPAQZOYPHD-XMHGGMMESA-N 456.524 2.072 10 10 JECE COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 731405177 DDSYYXYCMOQWHI-PBHICJAKSA-N 462.524 2.169 10 10 JECE COc1cc(OC)cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396035 KZWBHIPMDPHDIY-DQEYMECFSA-N 498.624 2.204 10 10 JECE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2180463710 DVIDLXQQMIOLPE-ZWKOTPCHSA-N 474.510 2.320 10 10 JECE C[C@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314836519 GGQMMLNCVRHKMD-JGVFFNPUSA-N 459.343 2.334 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(OC(C)C)cc3)CC2)cc1 8611381 ISYZZFGAMIASPO-UHFFFAOYSA-N 461.584 2.364 10 10 JECE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15048658 GGQMMLNCVRHKMD-SGOMALKXSA-N 459.343 2.334 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN(C)C3)CC2)cc1 1862002379 KDAARSCSGHBXIX-BWKNWUBXSA-N 480.609 2.119 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccn3)CC1)[C@H]2c1ccc(O)c(O)c1 1865026793 SABQOIZRAAOKOF-NRFANRHFSA-N 476.537 2.061 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@H]2c1ccc(O)c(O)c1 1865034168 QUEQROJYBBKTFG-AWEZNQCLSA-N 468.432 2.277 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccccc3C)CC2)cc1 1872627550 ILDXXFQNBZKYHA-UHFFFAOYSA-N 465.510 2.295 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccccc21 1076221422 OYWBHZFPCVDCEA-JVGMMHMTSA-N 487.487 2.400 10 10 JECE CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865028353 SJAVDXMPCAOKGY-QFIPXVFZSA-N 492.532 2.426 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)CCSc3nnc(-c4ccccc4)n3C)CC2)cc1 1868912444 GQDQJHGOSXAVDM-UHFFFAOYSA-N 494.621 2.438 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(N(C)C)c3)CC2)cc1 11796593 NDHZQTOSQCKOHF-UHFFFAOYSA-N 460.600 2.033 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CC2)cc1 747164083 IAMVADLSNUGVBY-UHFFFAOYSA-N 466.991 2.272 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 1858396051 LTYIVVPDWXUCRW-GOSISDBHSA-N 459.568 2.063 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865033974 MBIIWZKEEDWJOA-IBGZPJMESA-N 480.521 2.042 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)CC2)cc1 21026561 YCFOYEOSSRGHDZ-KRWDZBQOSA-N 470.599 2.239 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)c3ccc(O)c(O)c3)c3ccccc32)SC1=S 1860827415 XJIWVETZYAOZMU-HNENSFHCSA-N 484.511 2.373 10 10 JECE O=C1C(=Cc2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2040515960 WYGOEGPTXUIKFN-UHFFFAOYSA-N 497.602 2.433 10 10 JECE CCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296717887 DRYIHOUXWKCUAH-UHFFFAOYSA-N 471.608 2.316 10 10 JECE CCOc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 11796479 WPTNUMMELSXIRW-UHFFFAOYSA-N 461.584 2.366 10 10 JECE Cn1c(=O)c(C2=NNC(=O)/C2=C2/C(=O)Nc3cc(Br)ccc32)c(O)c2ccccc21 100260818 WHMWRUHDCUHFPJ-CCEZHUSRSA-N 465.263 2.246 10 10 JECE COc1ccc2[nH]cc(CCN3C(=O)N[C@@H](CCC(=O)NCCc4ccc(O)c(O)c4)C3=O)c2c1 1860380275 QYSJPVQEFOCSJQ-FQEVSTJZSA-N 480.521 2.190 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccn(Cc4ccccc4)c3=O)CC2)cc1 1862023445 YJPNJIBMDWCSCQ-FQEVSTJZSA-N 474.561 2.372 10 10 JECE CC[C@@](C)(NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862137033 XYLGYUWGJOQYDX-XMMPIXPASA-N 488.610 2.314 10 10 JECE CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862166890 DVCODIBRCJXBBN-URXFXBBRSA-N 478.593 2.287 10 10 JECE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864018334 IVDSWTNGMFQIOD-IBGZPJMESA-N 484.940 2.362 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865035177 NDUPZAJXGOQEBK-YCRPNKLZSA-N 491.548 2.166 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCN(C(=O)OCC)CC1)[C@H]2c1ccc(O)c(O)c1 1864010442 SLNDYIOIGJNGSX-FQEVSTJZSA-N 499.568 2.444 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864012209 UOURFGYIZPICFX-HXUWFJFHSA-N 468.485 2.247 10 10 JECE NC1=C(C(=O)N2CC(O)C2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031301 DTFFVIXEJSERLE-OAQYLSRUSA-N 497.511 2.243 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@H]2c1ccc(O)c(O)c1 1865031999 SSYZISINAYDELD-SFHVURJKSA-N 450.495 2.127 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865038354 VGIDUOINJXEHQV-BEFAXECRSA-N 456.543 2.191 10 10 JECE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C(=O)OCCOC)c1C 1865768014 KTIQZWWDQYLDDY-UHFFFAOYSA-N 474.582 2.225 10 10 JECE COCCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873592631 XCDUCGAUUUMJGK-UHFFFAOYSA-N 495.628 2.094 10 10 JECE O=C1CSC(=O)N1CCN1C(=O)C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O 2297478239 XATNORJPZLREBY-CQSZACIVSA-N 487.584 2.267 10 10 JECE COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(N2CCOCC2)cc1OC 20496632 GWXQMAQFFORHDV-UHFFFAOYSA-N 459.524 2.438 10 10 JECE CCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 39729114 ZSUZVYPXWGFOON-DTQAZKPQSA-N 462.597 2.425 10 10 JECE CC(=O)CCC(=O)O[C@@H]1[C@H](COC(C)=O)O[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H]1OCc1ccccc1 575449115 VUSNIPRUVGUYFN-PQZYZXGRSA-N 477.470 2.383 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H]4CCS(=O)(=O)C4)c4ccccc34)[C@H]21 1860347243 DTTSXALGGNEXGS-FYSMJZIKSA-N 478.574 2.092 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3ccccc3OC)CC2)cc1 1862269354 RPMCZZFZKVITKT-HXUWFJFHSA-N 471.579 2.333 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1 35960602 KJDJKJCUNQGCFU-HSZRJFAPSA-N 451.571 2.274 10 10 JECE O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1ccc(/N=N/c2ccccc2)cc1 1078372775 QFZADYZIHVZGGT-FZQKCYOCSA-N 475.465 2.106 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009685 KKXCJSRCNSAADM-OAQYLSRUSA-N 470.489 2.393 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)N3CCCCC3)c3ccccc32)SC1=S 2326943845 YVLMNZPZNZYLQN-UHFFFAOYSA-N 459.549 2.092 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCN2CCNCC2)cc1 104191068 REGLOUKRDNEBGW-XLNRJJMWSA-N 464.526 2.123 10 10 JECE Cc1cc(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 726702462 JLRWATHSGXUSGS-UHFFFAOYSA-N 475.597 2.465 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)CC2)cc1 742919068 BUWKIAXDDRJRQD-UHFFFAOYSA-N 478.590 2.073 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864014405 ULSFUIVVDTWAOT-OAQYLSRUSA-N 497.596 2.480 10 10 JECE CCOC(=O)N1CCN(C(=O)CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)CC1 2296885160 GMJFQMJOFSFPEK-UHFFFAOYSA-N 479.580 2.206 10 10 JECE O=C(O)CNC(=O)CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323831185 BBAHWDLIUAXYQW-UHFFFAOYSA-N 465.734 2.210 10 10 JECE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)cc1 34888390 KPQNRPKNLZCXLQ-VHEBQXMUSA-N 483.527 2.337 10 10 JECE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1 101765131 GQTDLUKXUFUTSU-HXUWFJFHSA-N 461.522 2.444 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCCN4CCOCC4)[C@H]3C2)cc1 245279113 CWZMRJCGVOFGFM-AHKZPQOWSA-N 494.636 2.410 10 10 JECE CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCOCC3)ccc21 1858074654 PSSUDVUHVLOWLQ-VWLOTQADSA-N 486.638 2.404 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028739 ZJBSWSWBTRPJBU-LJQANCHMSA-N 468.897 2.143 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 1872680458 CSODEOPLJNOKKM-KRWDZBQOSA-N 465.510 2.297 10 10 JECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1 33262334 ALTCKEOETJPDGW-IBGZPJMESA-N 499.593 2.223 10 10 JECE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1596245506 PMCQCHGPIUSRKV-GOSISDBHSA-N 468.581 2.450 10 10 JECE CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862166892 DVCODIBRCJXBBN-ZJSXRUAMSA-N 478.593 2.287 10 10 JECE COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862259933 UNGOKNRIIMOHQE-QPEODSHDSA-N 451.523 2.349 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865026613 QFCPOMXKDIYBBH-QFIPXVFZSA-N 490.564 2.234 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 34255761 BVSMRXIPOQPSRI-KXGFGANYSA-N 487.651 2.117 10 10 JECE CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 40319328 NTZCCUAJRMOPPM-DHIUTWEWSA-N 460.596 2.384 10 10 JECE CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 103040500 WJMKXRNWCWFKII-ZKMNFCBKSA-N 468.622 2.322 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012159 SQYKMOSGPJJPGX-YUNKPMOVSA-N 484.940 2.496 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014465 VNYNYLXXGTXLOF-SFHVURJKSA-N 452.515 2.043 10 10 JECE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865035070 KMIFSPBESVYZRP-IBGZPJMESA-N 484.553 2.373 10 10 JECE COCCCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873559652 WLIGHBKEKVIEAY-UHFFFAOYSA-N 494.596 2.275 10 10 JECE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864008799 SJXNHBHHYUBAGV-HXUWFJFHSA-N 466.494 2.168 10 10 JECE CCCOC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870329340 FCTHDOZJBWLOJP-UHFFFAOYSA-N 473.570 2.158 10 10 JECE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(/C=C/C(=O)O)cc3[N+](=O)[O-])CC2)cc1 13192500 MZTYKTDGPREGBL-YCRREMRBSA-N 459.480 2.406 10 10 JECE O=C1CN(c2ccc(CNC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCCC5)cc2)CCN1 106188221 TVOFAYDLPKCVBF-UHFFFAOYSA-N 459.550 2.379 10 10 JECE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878741 KUWPMLNWJJYAII-UHFFFAOYSA-N 453.503 2.131 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 1862160946 PWLMSFJXDAUQCJ-TZIWHRDSSA-N 464.566 2.070 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022997 TXKQWXPKGBKTBG-OAHLLOKOSA-N 483.491 2.486 10 10 JECE COCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(OC)cc1 1869970569 SXOFWWBWTSXFRA-UHFFFAOYSA-N 452.515 2.196 10 10 JECE O=C(O)CCCNC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15036771 ZMGHPGZPMIHIBZ-GHXNOFRVSA-N 459.343 2.337 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 210700523 YCELDZAQJGTXMG-LFIBNONCSA-N 463.562 2.270 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4ccc(C)cc4)c3)CC2)cc1 1862013336 GKMVDXYWEBRXHC-UHFFFAOYSA-N 474.561 2.292 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864022226 KXKVJKIJZHCRLQ-HZMBPMFUSA-N 470.448 2.161 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865033260 VUKGIGGXYHBHHT-FQEVSTJZSA-N 464.522 2.300 10 10 JECE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2C(=O)O)SC1=S 2327744315 OWDSDZCCWRMEPG-LBPRGKRZSA-N 461.477 2.090 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)COc3ccc(N4CCCC4=O)cc3)cc2)CC1 1556199562 PBUNTHHJEHZLQG-UHFFFAOYSA-N 450.539 2.177 10 10 JECE COc1cc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1857944079 ABUCABJHFJGUIB-UHFFFAOYSA-N 467.522 2.437 10 10 JECE Cc1ccc(O)c(CNCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1860713847 QOGXONSOYCFBEN-UHFFFAOYSA-N 467.975 2.493 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1 1861987815 WSYVGQFQEKWVKJ-UHFFFAOYSA-N 454.571 2.370 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026400 MYZHPASYHIYSNC-FQEVSTJZSA-N 482.924 2.202 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865030526 LPEVOHPCGGECHR-AUUYWEPGSA-N 456.543 2.192 10 10 JECE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865033028 QBHDFXWZGAQHTM-IBGZPJMESA-N 482.924 2.397 10 10 JECE COc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867318686 MCHRIVKQTOHHQV-ZEQRLZLVSA-N 468.598 2.195 10 10 JECE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1705781289 VLJLVMZCZFPVTG-QGZVFWFLSA-N 492.621 2.315 10 10 JECE CC[C@H](Oc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 1772762129 QLOYFXYOVMPGST-ZZHYBKPNSA-N 453.494 2.448 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 1862161412 ZXSFKMYZDXQMHL-VWPQPMDRSA-N 478.593 2.458 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864011427 UJRIMKMIWZCYGU-OAQYLSRUSA-N 491.548 2.183 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865038072 TXLQDKKBRFMBPU-FQEVSTJZSA-N 470.570 2.438 10 10 JECE CCC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869062655 CEOJTBLGZSSKDE-JGZAQREWSA-N 499.700 2.435 10 10 JECE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2296707813 NMBMSTRHMUTXCZ-CQSZACIVSA-N 460.581 2.441 10 10 JECE CCOc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 11796538 FMPZXZCDGNWKJN-UHFFFAOYSA-N 475.611 2.295 10 10 JECE CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 35575674 NLJAIOVVPASBQJ-SEYXRHQNSA-N 455.311 2.388 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCN(C)C)=C(N)O3)cc1 1864021400 BJWSDLHFMREXQQ-HXUWFJFHSA-N 493.564 2.269 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cccc(OC)c3)CC2)cc1 1872676482 XPGCZVMPMWNCSY-UHFFFAOYSA-N 467.482 2.067 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O 2296233751 PYDQFXQMVZWLJO-GOSISDBHSA-N 462.462 2.017 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)cc2)CC1 1466881463 CDIRXYGSJPIGJC-HXUWFJFHSA-N 452.530 2.472 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030281 HGUFXWNCJUECKY-DNVCBOLYSA-N 456.543 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868757723 RQZGNNFOEWGJQG-QHCPKHFHSA-N 463.538 2.122 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCNC(C)=O)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871520473 UNFUSISKQDLTSH-UHFFFAOYSA-N 480.548 2.059 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCO)nc12 2040498055 AYGSOZRWVLRZGX-AWEZNQCLSA-N 460.581 2.177 10 10 JECE O=C1N=C(O)/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1 24543570 QZDXZMLQQKNCOB-UHFFFAOYSA-N 483.987 2.191 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864010107 PNFFJBLKLJHHNB-OAQYLSRUSA-N 487.520 2.085 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](c3cccnc3)N(C)C)CC2)cc1 1869056288 SFMJJVYAJUSGGK-PKTZIBPZSA-N 485.654 2.280 10 10 JECE Cc1ccc2nc(NCCCO)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2040499064 SSESJDVKDRUCQO-AWEZNQCLSA-N 460.581 2.177 10 10 JECE CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989912 JGIZHDCEFBFVSZ-RSKNLIDKSA-N 490.607 2.338 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 101974102 HISSPCQBPDQINV-UCCYEOCQSA-N 499.595 2.424 10 10 JECE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(/C=C\C(=O)O)cc3[N+](=O)[O-])CC2)cc1 920960854 MZTYKTDGPREGBL-OQFOIZHKSA-N 459.480 2.406 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)cc2)CC1 1138230538 WWKAAYPBMOGOSF-LADGPHEKSA-N 452.530 2.330 10 10 JECE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705653120 ZKJVHNFTCFFNJD-UHFFFAOYSA-N 468.627 2.354 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1861999193 FVZLVYOOJFMNBE-WIOPSUGQSA-N 464.610 2.413 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864008080 BGDDKDFAHIKJMA-GOSISDBHSA-N 456.886 2.048 10 10 JECE Cn1nc(C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867252705 IYHXIUFVTNAWQC-LJQANCHMSA-N 484.468 2.185 10 10 JECE COc1cc(CNC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc(OC)c1 2296944893 QEOPRWTYVRQTTC-UHFFFAOYSA-N 469.494 2.016 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)[C@@H](C)C1 1760601742 DLVGYCUCFSZGKD-HNNXBMFYSA-N 463.633 2.210 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864011003 CTVUFHNSIFZTGL-FQEVSTJZSA-N 484.940 2.498 10 10 JECE CCOC(=O)COc1cn(CCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870696112 XJAJFBKBAXWIQJ-UHFFFAOYSA-N 487.597 2.284 10 10 JECE CN1C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)C(=O)NC1=S 2297365191 WMOHGPAQKLECMT-UHFFFAOYSA-N 475.368 2.283 10 10 JECE CC[C@](C)(NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862137032 XYLGYUWGJOQYDX-DEOSSOPVSA-N 488.610 2.314 10 10 JECE CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OCC 2294199351 WDXJOVDXVXCCBY-UHFFFAOYSA-N 471.329 2.046 10 10 JECE O=C(Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1 2297366272 WDBFKIHNOOGUQN-QGZVFWFLSA-N 492.557 2.356 10 10 JECE N[C@H](c1cc(I)cc(I)c1O)C(F)(F)CO 95769178 CXSMAPXAHBIIMX-MRVPVSSYSA-N 454.980 2.229 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010983 CQCZWYHVKBROMG-FQEVSTJZSA-N 484.940 2.498 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865028815 YXTHKAZKKLXRDV-OAQYLSRUSA-N 462.506 2.270 10 10 JECE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(C)(=O)=O 2294593351 LLRZOPFTXHQZAV-UHFFFAOYSA-N 450.856 2.353 10 10 JECE O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(/N=N/c2ccccc2)cc1 32603105 QFZADYZIHVZGGT-DPRXFFTKSA-N 475.465 2.106 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1 585200424 DBFXUROINWOMSG-UHFFFAOYSA-N 492.598 2.376 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(F)cc3)CC2)cc1 1872676833 YKVRATTWDFJICK-UHFFFAOYSA-N 455.446 2.197 10 10 JECE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 727600899 MXYOVXBSDUJECB-IBGZPJMESA-N 467.570 2.394 10 10 JECE CN(C)S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 914581255 FDCHNMFRVCFRSY-FQEVSTJZSA-N 470.555 2.158 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@H]3c2ccc(O)c(O)c2)cc1 1865027738 KFDVGIABVXAACF-FQEVSTJZSA-N 450.495 2.046 10 10 JECE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865034904 HNXBDSUALLYLOU-FQEVSTJZSA-N 496.951 2.456 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873169547 OZFLMUUGLZULLF-UHFFFAOYSA-N 493.652 2.438 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 2313548193 OJSMYZYZESAVAP-UHFFFAOYSA-N 452.423 2.106 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1722749540 RYMOYOHIFRELJM-FQEVSTJZSA-N 467.618 2.152 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865025670 BKVCNEBPVJZYPP-NRFANRHFSA-N 482.512 2.326 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccc(F)cc2)CC1 2293902650 SQVJWCWLTFSAAN-UHFFFAOYSA-N 480.500 2.388 10 10 JECE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 40066621 CMECXOZLJYPASZ-FMQZQXMHSA-N 498.542 2.192 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865029168 HOPHIUJYBLLOEO-QRWLVFNGSA-N 456.543 2.184 10 10 JECE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865031351 FEZAEQXHZPXBMS-OAHLLOKOSA-N 481.475 2.097 10 10 JECE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401003 UMFGCANZDOHXLO-OKILXGFUSA-N 488.591 2.292 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cc(F)cc(F)c4)C3)CC2)cc1 1615106924 URPHAGLWYJCGPW-ILBGXUMGSA-N 478.536 2.181 10 10 JECE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1 2297362213 ORACNFSFKCAQQN-UHFFFAOYSA-N 488.836 2.265 10 10 JECE COc1ccc(N2CCN(c3nc(N)c([N+](=O)[O-])c(=Nc4cc(OC)ccc4OC)[nH]3)CC2)cc1 1871312772 WIUXVLDSSMQBHL-UHFFFAOYSA-N 481.513 2.485 10 10 JECE N=C1C(=Cc2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297468097 XKPYQBVIZLHELZ-UHFFFAOYSA-N 493.501 2.367 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 15935233 LRIBZADJENKKPY-UHFFFAOYSA-N 461.628 2.480 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1076124123 BGFKFJZQPNMPCI-HTCVQUQYSA-N 487.487 2.400 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CN4CCN(C)CC4)s3)cc2)CC1 1632950973 XYTFEMQDHGKWSO-UHFFFAOYSA-N 455.628 2.094 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1862002383 KDAARSCSGHBXIX-OFVILXPXSA-N 480.609 2.119 10 10 JECE CCCC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868823901 SWEZYGHRGGKWAL-SIKLNZKXSA-N 479.643 2.234 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672104 SVHYJXRFGYPBLU-LJQANCHMSA-N 463.586 2.204 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCO)ncnc4n3CC(C)C)CC2)cc1 1875210453 RFIAKBOLCPFCRL-UHFFFAOYSA-N 452.559 2.463 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 2297309983 FCMWHUORSXJOFF-UHFFFAOYSA-N 464.453 2.209 10 10 JECE CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592446 DIOSMNQEIZLCCH-FYJGNVAPSA-N 494.573 2.055 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC3CCN(Cc4ccccn4)CC3)CC2)cc1 742939503 HKSVIVFIEGEPNN-UHFFFAOYSA-N 452.603 2.176 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)NC3CCCC3)c3ccccc32)SC1=S 1860827454 YUKXPFHGNGBBIR-ZCXUNETKSA-N 459.549 2.138 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862185347 HOJMTIMQSNVHER-RCZVLFRGSA-N 492.620 2.328 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865027442 YIWOCZJZSLNSPE-HKZYLEAXSA-N 477.521 2.317 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 1872680459 CSODEOPLJNOKKM-QGZVFWFLSA-N 465.510 2.297 10 10 JECE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1 2106749737 DWYACIQRALCSKV-GOSISDBHSA-N 468.595 2.360 10 10 JECE COc1ccc(CN2C(=O)[C@@H]3[C@H](Cc4ccc(O)c(O)c4)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 503972145 LDFXBRDZTOCKRE-SLGSNKHJSA-N 499.523 2.270 10 10 JECE biogenic Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1S(=O)(=O)N(C)C 1858074870 UYUKKCDMMUFBMC-QFIPXVFZSA-N 474.627 2.115 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867347581 XOOIOHUTRFZTFV-DHIUTWEWSA-N 456.562 2.326 10 10 JECE COc1ccc(N2CCN(c3cc(N4CCN(CCO)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969396 YLGZNPGGUPFOIC-UHFFFAOYSA-N 454.619 2.224 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868598970 RXEMTKAMFDCLAK-NTKDMRAZSA-N 485.606 2.026 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1 35960601 KJDJKJCUNQGCFU-QHCPKHFHSA-N 451.571 2.274 10 10 JECE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCCN1CCOCC1 103523689 QEGFTQYOBNMBIT-HMMYKYKNSA-N 457.556 2.148 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC)nc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669996 JGGZYCRBYUTMDD-QFIPXVFZSA-N 479.606 2.389 10 10 JECE COc1ccc(CN2C(=O)[C@@H]3[C@H](Cc4ccc(O)c(O)c4)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 503972146 LDFXBRDZTOCKRE-UFXRUVHKSA-N 499.523 2.270 10 10 JECE biogenic C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1705479975 QOLHPSPXQZKLFM-MZNJEOGPSA-N 467.595 2.360 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010976 COXNMHIXBUTDBO-ODXCJYRJSA-N 484.940 2.496 10 10 JECE Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]31)C(=O)N2 1565532412 ZLTOLWCUPRACIL-RPJCSTDNSA-N 461.518 2.312 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC[C@H]4CCCO4)n4ccccc34)CC2)cc1 1858224246 RFSIJDJQDRMPNO-HXUWFJFHSA-N 463.538 2.214 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027058 DXTMWIVPJYVENM-NRFANRHFSA-N 462.506 2.454 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032380 BGDLKFOOHLIUMS-FQEVSTJZSA-N 464.522 2.050 10 10 JECE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCN(C)C)[nH]1 1871558842 UWOJWWTXSUIROL-UHFFFAOYSA-N 476.629 2.330 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865029427 MYMMRXBQWCREDP-OAQYLSRUSA-N 478.549 2.500 10 10 JECE COCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871560153 CNISKACLKMPQRP-UHFFFAOYSA-N 465.558 2.439 10 10 JECE Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1 1865028476 VUZSASZBWTYLQI-JOCHJYFZSA-N 475.549 2.492 10 10 JECE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031624 KXKCGYIPHXJWLX-RBZYPMLTSA-N 468.432 2.181 10 10 JECE COC(=O)c1ccc(COc2cn(CCO)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)o1 1870558696 KNRZBIRPPRIDKQ-UHFFFAOYSA-N 497.548 2.130 10 10 JECE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S 2313656611 LDKGMJUUHYVVOL-UHFFFAOYSA-N 483.550 2.486 10 10 JECE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc(S(N)(=O)=O)cc1 103919567 UIPORYFYEORGDY-DEDYPNTBSA-N 499.574 2.273 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(Cc4ccc(F)cc4)c3C)cc2)CC1 1625192488 DMICVVJIUAVHKG-UHFFFAOYSA-N 450.518 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 1861970012 ZRGIBVUUJKSCRC-UHFFFAOYSA-N 450.583 2.372 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864009882 MRBRIQPTIOPGLB-FQEVSTJZSA-N 465.510 2.224 10 10 JECE NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014865 FFRMXQXJDSYSGG-MRXNPFEDSA-N 490.438 2.496 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@H]2c1ccc(O)c(O)c1 1865034048 NWOKAWHMPYFICF-IBGZPJMESA-N 480.521 2.135 10 10 JECE COc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867318684 MCHRIVKQTOHHQV-DNQXCXABSA-N 468.598 2.195 10 10 JECE CC(C)(C)N1C(=O)[C@H]2[C@H](C1=O)[C@@](COCc1ccccc1)(C(=O)O)N[C@H]2c1ccc(O)c(O)c1 248209647 CLNSKFVWLYXKGH-ZDQHKECQSA-N 468.506 2.182 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cccc(OC)c3OC)CC2)cc1 585200732 MIBRNAKESWZCER-UHFFFAOYSA-N 492.598 2.376 10 10 JECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2)C1 727033845 XURJUMILYIOMHH-INIZCTEOSA-N 469.508 2.131 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 727842374 VHMVQQDRBKZQLI-UHFFFAOYSA-N 457.600 2.227 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1861930662 HTJHCDPLJJMYSC-MRXNPFEDSA-N 457.527 2.188 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029616 ROLKJCGFIRIJNN-FQEVSTJZSA-N 464.522 2.381 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865030922 VCMTZRHJEGMQPU-NRFANRHFSA-N 497.596 2.288 10 10 JECE C[C@H](NC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314827332 BTVJBSRTLWJMFR-QMMMGPOBSA-N 459.343 2.335 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864008975 WDNGVAFNCQZFAZ-PKOBYXMFSA-N 470.913 2.338 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314827611 INZYINPSIRDXRO-UHFFFAOYSA-N 492.560 2.472 10 10 JECE CC1=NS(=O)(=O)N(Cc2ccc(F)cc2)C=C1C(=O)NCc1ccc(N2CCOCC2)cc1 888104921 POBGAXRKDDVDFU-UHFFFAOYSA-N 472.542 2.384 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4ccccc4F)c(C)[nH]3)CC2)cc1 1858527029 HIEZDJUJTDSRLC-UHFFFAOYSA-N 451.502 2.488 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864020477 ZRZJXEYJRFMJEC-HXUWFJFHSA-N 480.521 2.292 10 10 JECE CC(=O)NCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873849406 CQGXFYTXDRVVJA-VWLOTQADSA-N 459.550 2.431 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837165 PCAHQYULDUBMNY-NSHDSACASA-N 492.560 2.471 10 10 JECE CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)[C@@H]2CCS(=O)(=O)C2)cc1 40325771 LGXMKUMWLDPTOA-LADGPHEKSA-N 483.634 2.360 10 10 JECE NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 103321560 LBJMKDCOEDDRPG-FOWTUZBSSA-N 490.588 2.274 10 10 JECE COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4)N=C3C)n(C)c1=O)S2 254602075 YDKMZBOEAWYHLK-UHFFFAOYSA-N 464.572 2.337 10 10 JECE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705736714 AJXKJBFWBKZVHY-OAQYLSRUSA-N 489.642 2.246 10 10 JECE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NCC2CC2)cc1 248039521 KGJXGPHFRBUKBD-DNVJHFABSA-N 454.571 2.253 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1 1868607427 WERHNHWXMCQUIK-UHFFFAOYSA-N 453.539 2.253 10 10 JECE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 33588845 GHNKANYQAUDYJU-CYVLTUHYSA-N 450.451 2.136 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)c2)CC1 1128039578 HZYMPXWQSXWGAC-UHFFFAOYSA-N 458.584 2.475 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862165715 AHMLMNYRQUITSY-NRFANRHFSA-N 478.593 2.287 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017999 AGJCAODPUBJBJM-HXUWFJFHSA-N 479.537 2.477 10 10 JECE CCOC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865029556 PZBYAIHAHOZMTD-FQEVSTJZSA-N 499.568 2.254 10 10 JECE CCC[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869055928 ONWHOPXDTVBARL-PKTZIBPZSA-N 453.587 2.327 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590579 HSANENUVGGIAHL-SFHVURJKSA-N 463.586 2.204 10 10 JECE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 35273552 JAYYCKRQEWIZOO-MLJKTZRHSA-N 478.621 2.151 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cc2)CC1 1447716475 XCWVODWFYUCADM-UHFFFAOYSA-N 457.596 2.396 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)cc1 1862282213 LBNFXYQOUZEOJQ-HNNXBMFYSA-N 471.470 2.287 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864021862 HJZZHYCRYQGTEB-OAHLLOKOSA-N 491.426 2.155 10 10 JECE CCOC(=O)CCCOc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870371356 AZQUYODBYNMBNG-HXUWFJFHSA-N 487.597 2.282 10 10 JECE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)C[C@H](C)O1 2314401267 VYCFUDMBHUPEGD-KBPBESRZSA-N 488.591 2.374 10 10 JECE C[C@@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 10013967 RDAKYKIUVBXMMM-ZKNHNOBHSA-N 461.268 2.154 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864014612 ZFINIGIZJQOHPH-FQEVSTJZSA-N 483.569 2.090 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 101974067 AMSYLMDOBJJCGZ-HVVQPJKBSA-N 491.547 2.006 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 585198722 IQGCJRLFARFBGI-SFHVURJKSA-N 470.551 2.474 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865034000 MXHOAZPLPYESOD-SWLSCSKDSA-N 482.459 2.401 10 10 JECE O=C(C1CC1)N1CCN(CCN/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC1 100478149 HQBWJQAJBRUGND-NKFKGCMQSA-N 488.548 2.373 10 10 JECE COCCN1C(=O)/C(=C/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)NC1=S 105338208 UOLNYXMZMHJGGP-SAPNQHFASA-N 460.519 2.391 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC(CO)CC3)n4C)CC2)cc1 1873544190 UVFMBXVBPGVBHA-UHFFFAOYSA-N 464.570 2.148 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)cc2)CC1 1616251960 MTZIODISNNZFBC-UNMCSNQZSA-N 459.587 2.498 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868933055 XYKQHUCBIRLELQ-UHFFFAOYSA-N 455.465 2.442 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 208058612 LTYNPCKLJDQZGU-PKDFBKMWSA-N 488.591 2.292 10 10 JECE CCOc1ccc(NC(=O)c2ccc(NC(=O)C3=S=CC(S(=O)(=O)NC)=C3)cc2)cc1 1290020329 HQRMUQXFQSOXQY-UHFFFAOYSA-N 459.549 2.431 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C)ccc3S(C)(=O)=O)CC2)cc1 1861905912 WYDLJOQRRNUATC-UHFFFAOYSA-N 473.595 2.264 10 10 JECE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020438 ZBUBCPCJPFDAKJ-GOSISDBHSA-N 470.913 2.302 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc4oc(=O)ccc4c3)C2=O)cc1OC 2296559515 KKYRGOYJDPKWBG-UHFFFAOYSA-N 463.446 2.427 10 10 JECE Cc1ccc(N2C(=O)[C@H](/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 103851224 FTACWOTWDBYNBJ-MFYHJKBNSA-N 496.545 2.181 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)CCN1 106263693 IUHXIZHRVQUSHC-IBGZPJMESA-N 454.958 2.445 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)Cc4ccc(OC)c(OC)c4)C3)CC2)cc1 1858377551 AZGABWSDBNBFFI-HXUWFJFHSA-N 467.566 2.452 10 10 JECE CCCn1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018961 LVUCCTNNXITDBG-QFIPXVFZSA-N 486.638 2.467 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864019133 GRRDPRCNLPRMRV-HXUWFJFHSA-N 480.521 2.422 10 10 JECE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314760826 LTCMCNFSDGULRZ-UHFFFAOYSA-N 464.565 2.079 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865033733 HDQVMCIIJUGJHI-WFASDCNBSA-N 482.459 2.308 10 10 JECE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 2314928143 QLOYFXYOVMPGST-STQMWFEESA-N 453.494 2.448 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864012000 OTSZLJWBDQQDMO-NRFANRHFSA-N 481.528 2.163 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028629 WVWLAYFYAKGOFG-LJQANCHMSA-N 470.913 2.391 10 10 JECE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CCOC)n1 1867952305 ZRVPOZVMJJAVEX-UHFFFAOYSA-N 457.575 2.390 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC(N(C)C)CC5)ncnc4n3C)CC2)cc1 1873543590 VYIVZYIURUPRRA-UHFFFAOYSA-N 477.613 2.470 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC(C)C)cc3F)CC2)cc1 748113511 FFRWWFYTMOFIQM-UHFFFAOYSA-N 458.534 2.498 10 10 JECE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 2314928141 QLOYFXYOVMPGST-OLZOCXBDSA-N 453.494 2.448 10 10 JECE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\N1CCN(C(=O)c2ccco2)CC1 2178839 OEFUDZPAMJZGSB-QINSGFPZSA-N 489.351 2.132 10 10 JECE CCOc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCNCC2)C(=O)NC1=S 220957447 UYRXZWYXQMWHRQ-SAPNQHFASA-N 481.534 2.234 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152348 PCAHQYULDUBMNY-OKHBPPCESA-N 492.560 2.471 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1O 252139707 GGUQVLIJQLKMDE-PBQROFAYSA-N 466.490 2.265 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864008698 QANLLZFRAXGDGE-JEOXALJRSA-N 470.913 2.437 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864009157 AXPMXFIQHIHNJG-OAQYLSRUSA-N 483.569 2.082 10 10 JECE CC[C@@](C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869067305 NQUMTVNDQPTRAK-HSZRJFAPSA-N 498.546 2.430 10 10 JECE CCOc1ccc(Nc2nc(=NCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871533434 KDFCDXIZCKCDBX-UHFFFAOYSA-N 465.558 2.175 10 10 JECE CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297449809 CDHZRSBTXCJYSE-UHFFFAOYSA-N 455.603 2.396 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 102438859 GUSFOIFAVSZIKA-BMRADRMJSA-N 473.624 2.074 10 10 JECE Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 504783673 ZLTOLWCUPRACIL-IBBRUMHXSA-N 461.518 2.312 10 10 JECE COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CSC[C@@H]3C(=O)O)C2=O)cc1 33414099 RISNCOZLFRTGHL-HRYODUOUSA-N 466.562 2.051 10 10 JECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749288441 GXHATMADLNMFBJ-GOSISDBHSA-N 465.597 2.169 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865027444 YIWOCZJZSLNSPE-QTCYRWPVSA-N 477.521 2.317 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2225622737 LIVDCRHNGLQZGH-KCQAQPDRSA-N 451.745 2.239 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 2313548048 JXRXYHHYPDYAHP-UHFFFAOYSA-N 452.423 2.106 10 10 JECE N[C@@H](c1cc(I)cc(I)c1O)C(F)(F)CO 95780418 CXSMAPXAHBIIMX-QMMMGPOBSA-N 454.980 2.229 10 10 JECE Cc1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)nnn1-c1cccc(Br)c1 108273329 RLJDUGFJIXWAIT-UHFFFAOYSA-N 469.343 2.204 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865026823 BBJPFOKFWKHOON-OAQYLSRUSA-N 464.522 2.105 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCN2CCNCC2)cc1 2296606226 REGLOUKRDNEBGW-UHFFFAOYSA-N 464.526 2.123 10 10 JECE CCOC(=O)N1CCN(C(=O)CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)CC1 2296881445 HWLYUGWQMRLSMZ-UHFFFAOYSA-N 477.564 2.307 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@H](O)[C@@H]2O 14677527 ROFMCMXCPNFONV-RTWAWAEBSA-N 464.382 2.038 10 10 JECE biogenic CCOC(=O)[C@@H]1CCCN(c2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])C1 40611148 FSQSBGBGXVDWPF-QGZVFWFLSA-N 470.530 2.500 10 10 JECE O=C1C[C@@H](N2CCN(CCOCCO)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712950 UOUFGDXCBYEGSO-FPEJUQHSSA-N 451.527 2.360 10 10 JECE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705479977 QOLHPSPXQZKLFM-XDHUDOTRSA-N 467.595 2.360 10 10 JECE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705659325 RTVBUBKBRYUEEV-FQEVSTJZSA-N 454.600 2.069 10 10 JECE CCN(CC)CCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870667689 HKGKRTPCJVRJJR-UHFFFAOYSA-N 499.656 2.165 10 10 JECE COc1cccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 2296400309 PXMNRGVOVKIXIP-UHFFFAOYSA-N 463.519 2.237 10 10 JECE Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)ccc21 11857888 PMYOOGGWAILGSZ-UHFFFAOYSA-N 458.477 2.387 10 10 JECE CCOc1ccc(N2C[C@H](C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 742916057 AYGCMLKCHXSLQS-HXUWFJFHSA-N 466.582 2.385 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1 1861989913 RNPJLIAUIBLVAN-QFIPXVFZSA-N 484.622 2.377 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008157 DOZXUJCERFOAKB-OAQYLSRUSA-N 464.522 2.153 10 10 JECE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865033029 QBHDFXWZGAQHTM-LJQANCHMSA-N 482.924 2.397 10 10 JECE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401004 UMFGCANZDOHXLO-ZIAGYGMSSA-N 488.591 2.292 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 39716326 HFOUKGOEUXHDPB-AXDDUSKFSA-N 474.608 2.464 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1 59833369 XBDWJLRYCMXACY-UHFFFAOYSA-N 492.667 2.096 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(=O)n(C)c3)c3ccccc3)CC2)cc1 1861982809 POCCXOBKCWOTEH-DEOSSOPVSA-N 460.534 2.214 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3cnc[nH]3)cc1C2=O 1873862966 YBNLYFGUDZKABA-UHFFFAOYSA-N 461.430 2.008 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4cccc(C)c4)C1=O)N(C)CC3)OCO2 2297639436 RNPSCOMLSIOKDR-SFHVURJKSA-N 478.505 2.018 10 10 JECE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)C1 33446973 DBBIWYBPZKLLJM-MBUXQOJLSA-N 458.565 2.463 10 10 JECE Cc1cc(/C=C\C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96876536 DBSFGRJMLCPUJV-IXWARAEBSA-N 471.579 2.167 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4ccc(F)cc4)C3)CC2)cc1 1615107393 VSTNJCGNAWVBBJ-UKILVPOCSA-N 460.546 2.042 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864018126 CYWSJCQCMAJKDN-FQEVSTJZSA-N 478.553 2.003 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864018166 DRQRTADZEMWKKH-NRFANRHFSA-N 495.555 2.417 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864021923 RSEIFGHGOKTFFD-LJQANCHMSA-N 457.575 2.275 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026871 BVEUROGFMDUVDE-LJQANCHMSA-N 470.913 2.391 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4n[nH]c(=N)s4)cc3)CC2)cc1 1872723915 KMJQGQGMGDGFIY-UHFFFAOYSA-N 461.569 2.049 10 10 JECE COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](/C=C/CO2)C1 100035044 JTPVTDJVYHOKKG-JIZXVUFQSA-N 457.571 2.279 10 10 JECE CCCCN(CC)C[C@H]1C(=O)N(C(=O)c2ccccc2S(N)(=O)=O)N=C1c1ccccc1O 248234902 MEWUVHBVRUHDIW-GOSISDBHSA-N 472.567 2.165 10 10 JECE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726712031 HBULUZBITNFMHX-FQEVSTJZSA-N 467.561 2.499 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1 1864008638 OVVUUKIRBRYFNG-XCLFUZPHSA-N 450.495 2.092 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 2314396620 FLLDWAQWMNRXLO-UHFFFAOYSA-N 483.980 2.494 10 10 JECE C[C@@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15048651 GGQMMLNCVRHKMD-FBNUCSRDSA-N 459.343 2.334 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)cc1 743294192 DGARBNLRLOPVQC-UHFFFAOYSA-N 473.599 2.179 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508182325 GBXUTUNOCGVJME-IBGZPJMESA-N 471.581 2.072 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@H]4C(N)=O)c4ccccc34)[C@H]21 1615751443 YMIABTANCDTRMG-OFVILXPXSA-N 457.534 2.265 10 10 JECE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012893 LQYJWOQZMVANJZ-HXUWFJFHSA-N 482.512 2.237 10 10 JECE CCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498463 KNQDNUVOVRTULE-UHFFFAOYSA-N 471.608 2.316 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 2053498065 GWFKANFOYAURQC-HNNXBMFYSA-N 472.592 2.220 10 10 JECE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297459174 SUSDUUKFIXBCFE-UHFFFAOYSA-N 454.508 2.440 10 10 JECE COC(=O)c1ccc(C=CC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2331335857 UNGOKNRIIMOHQE-GOSISDBHSA-N 451.523 2.349 10 10 JECE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 15047557 DKMUUDGYYLZXSO-MTUBTWAWSA-N 493.588 2.277 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O 248269431 YYHZBILJILDLMI-USTRSKKPSA-N 497.504 2.419 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 742919623 ACFYAKGQSHHKDV-IBGZPJMESA-N 454.546 2.434 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccccc3OC)CC2)cc1 1862269353 RPMCZZFZKVITKT-FQEVSTJZSA-N 471.579 2.333 10 10 JECE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030515 LNEHVYYQUWWIMF-OAQYLSRUSA-N 494.523 2.332 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602139 CRBLRJWVMQBGEJ-IBGZPJMESA-N 463.586 2.204 10 10 JECE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873169655 FDQBMAIHJJVYEL-UHFFFAOYSA-N 452.555 2.326 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 2296545956 CXWIDYNRQNCSMT-AWEZNQCLSA-N 492.648 2.459 10 10 JECE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)CC1 1523201455 NTVIEXHWPGXKCS-QGZVFWFLSA-N 458.584 2.096 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076136270 OKOCAXPIBDFVIT-OTQUPPRASA-N 465.481 2.143 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3C(C)=CCN3S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1858129540 FNEPGARQMLVNFC-QHCPKHFHSA-N 471.579 2.372 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865033384 YOLWPRDAOXQJTM-NRFANRHFSA-N 476.533 2.111 10 10 JECE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2053511304 OAHJWRIYYNGWOP-MRXNPFEDSA-N 485.635 2.135 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(OCc1ccccc1)C1CNC1 2136242765 AZIURDXMLRYSCR-IBGZPJMESA-N 457.527 2.466 10 10 JECE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59859795 YCIIIDJDYGTDMA-NBVRZTHBSA-N 450.451 2.136 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)[C@H](C)C1 1690837105 XQWQGJFOMIGBOA-GOSISDBHSA-N 484.626 2.454 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007806 VJCPPAQICVWBSP-NRFANRHFSA-N 480.521 2.448 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864019242 WZZQGYGOUNRIPD-NRFANRHFSA-N 492.580 2.394 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034893 HFUWIPSIATZTDN-LJQANCHMSA-N 456.543 2.192 10 10 JECE O=C1CCN(Cc2ccncc2)CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 257175769 BPRTUMSENAVAOX-XMMPIXPASA-N 479.625 2.343 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 1084092164 UDWQYNJIEBKVJO-RGEXLXHISA-N 479.493 2.412 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(=O)n(C)c3)c3ccccc3)CC2)cc1 1861982810 POCCXOBKCWOTEH-XMMPIXPASA-N 460.534 2.214 10 10 JECE CC[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862129980 PLLLAOSFCQNVSJ-NRFANRHFSA-N 472.973 2.322 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(O)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027355 HLHUTCLHOYWMGR-QFIPXVFZSA-N 492.532 2.278 10 10 JECE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S 1084073635 LDKGMJUUHYVVOL-PDGQHHTCSA-N 483.550 2.486 10 10 JECE CCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870536267 FHJOIFUPROTFMR-DEOSSOPVSA-N 498.624 2.263 10 10 JECE CNC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870570700 ZEXFOIHXAYGDCB-UHFFFAOYSA-N 456.587 2.350 10 10 JECE COC(=O)[C@@H](C)N1C(=O)SC(=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2297454359 VKRVWENEWDBMJQ-CYBMUJFWSA-N 463.537 2.339 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O 2313503254 MSZWCTUAARFOJW-UHFFFAOYSA-N 499.476 2.477 10 10 JECE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC12CCCCC2 1629882622 PRMYFZCPJGRGRL-OAQYLSRUSA-N 455.603 2.465 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O 2296233752 PYDQFXQMVZWLJO-SFHVURJKSA-N 462.462 2.017 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(F)cc3F)CC2)cc1 11796586 TZDJOKDSZOUUEA-UHFFFAOYSA-N 453.511 2.245 10 10 JECE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)CC1 1705647512 FXTYHYZDMLSJMA-KRWDZBQOSA-N 460.629 2.387 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1 1864009394 GPBFCGPYBFBTBN-IBGZPJMESA-N 470.526 2.119 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864014221 PPZUCUGIWCDBES-LJQANCHMSA-N 457.575 2.275 10 10 JECE CCNC(=O)COc1cn(CCCOCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870529336 YFPYBMSOAFYSJY-UHFFFAOYSA-N 486.613 2.121 10 10 JECE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CS[C@@H](C(=O)O)C3)C2=O)cc1 2295924426 YBAXASPNRTWIPV-CQSZACIVSA-N 466.562 2.051 10 10 JECE COC(=O)c1c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)sc2c1CC[C@H](C)C2 64980816 SUHORVWEEASXKD-FZMZJTMJSA-N 451.570 2.318 10 10 JECE COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCc3ccc(O)c(O)c3)cs2)cc1 1860375622 JVMUSGAHIRYQGL-UHFFFAOYSA-N 463.537 2.265 10 10 JECE COCCc1nc(N(CCOC)CCOC)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867952534 LJQBDZUUBJXCOR-UHFFFAOYSA-N 459.591 2.100 10 10 JECE COc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc([N+](=O)[O-])c1O 2297296598 LBRIGZZUTRZKDL-UHFFFAOYSA-N 481.202 2.375 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 254371978 LPRFOEDKVUKPAK-QFIPXVFZSA-N 463.559 2.483 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 1084145596 MGMJGZOSIFUWLA-XMHGGMMESA-N 466.450 2.497 10 10 JECE COc1cc(N2CCC(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc(OC)c1OC 1858043985 FMJWYNABKXQHJS-UHFFFAOYSA-N 462.528 2.242 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030979 WGCWRXIWAUWLTJ-LJQANCHMSA-N 455.559 2.125 10 10 JECE CC(=O)NCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163997 HFBAMPYSTROXJN-UHFFFAOYSA-N 457.534 2.495 10 10 JECE CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 103040497 WJMKXRNWCWFKII-UHVIJJLKSA-N 468.622 2.322 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 1872641522 ICQQEBNJLHBGQX-GOSISDBHSA-N 479.537 2.226 10 10 JECE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ncncc32)=C[C@@H]1O 2136288303 HMERPNFNWBCXHI-ZBFHGGJFSA-N 461.519 2.149 10 10 JECE COc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCN(C)CC4)s3)CC2)cc1 15728190 FTNKNBYHPSGXRN-UHFFFAOYSA-N 453.616 2.411 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254533152 NHSSIMREKCPHKV-JOCHJYFZSA-N 463.559 2.483 10 10 JECE CN(C)c1ccc([C@@H](NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2nccn2C)cc1 1865943275 KSLPLWZAQMYCEL-OAQYLSRUSA-N 467.551 2.072 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3nccs3)c3ccccc32)SC1=S 2326944861 SKHJMZGGCDDZBJ-UHFFFAOYSA-N 474.545 2.175 10 10 JECE Cc1ccc(N2C(=O)[C@H](/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 1084294092 IGFGILVKNVKGIS-BRVCPTFNSA-N 480.477 2.016 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 1359379927 CKQQAEXYNIPGFD-SFHVURJKSA-N 485.658 2.075 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc3C2=O)N2CCCCC2)cc1 1866040153 XUWMRRUADZIAOD-QFIPXVFZSA-N 464.566 2.457 10 10 JECE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2314827508 GOURYOITBHZHFL-UHFFFAOYSA-N 493.588 2.278 10 10 JECE COc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O[C@H](C)C(=O)O 2314933100 SSESONZKVDGJAW-CQSZACIVSA-N 466.581 2.471 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 729605470 BNAUUDHSXBMRFP-FQEVSTJZSA-N 451.571 2.201 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 15040568 NAIWRZCZWYKBNY-PTNGSMBKSA-N 468.553 2.372 10 10 JECE Cc1cc(C(=O)CN2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(C)n1-c1ccccc1 62694271 WGDGIERJVSHBGG-UHFFFAOYSA-N 486.638 2.093 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc(C)c1-c1ccc(F)cc1 1860758963 OYDGNQJDZKFUIU-UHFFFAOYSA-N 463.531 2.426 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccn3)c3ccccc32)SC1=S 1860827034 OQEIBFBHCUDFOB-ZCXUNETKSA-N 468.516 2.113 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCCN2CCOCC2)cc1 2297349157 VPNOOTVXBIAFRK-UHFFFAOYSA-N 451.483 2.160 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(Br)c3)CC2)cc1 20604425 PEROCBAACXNFOV-UHFFFAOYSA-N 482.400 2.340 10 10 JECE CC(=O)c1ccccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40319618 CAJKRBBZCRAUGN-YADHBBJMSA-N 460.596 2.384 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3cccnc3)N(C)C)C(C)C)CC2)cc1 1869045166 UEHZEFKGWSREIA-PKTZIBPZSA-N 453.587 2.183 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCn3ccnc3)CC2)cc1 1870360867 CZWNYTTYVMHBCY-UHFFFAOYSA-N 481.597 2.227 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3CCCO)CC2)cc1 1870425602 OOVVIORHGGOTEC-UHFFFAOYSA-N 487.597 2.140 10 10 JECE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206843075 LTCMCNFSDGULRZ-LGMDPLHJSA-N 464.565 2.079 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1 742910166 AEXFKBYSKNSYCG-VWLOTQADSA-N 463.582 2.162 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2)CC1 1466883064 WWCPBWUXCIDFBK-QFIPXVFZSA-N 451.483 2.073 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871588633 NWMUXKVQOIFDKM-UHFFFAOYSA-N 474.569 2.070 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=CN[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)C2=O)cc1 2296938966 ZYJJPICZPZQJHL-OAQYLSRUSA-N 476.489 2.407 10 10 JECE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 247965806 QMRGGXGODFCXPC-ASKKUZCQSA-N 490.266 2.356 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)cc2)CC1 1296399428 JKRVNKGJJUDMFG-UHFFFAOYSA-N 454.483 2.355 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025584 ABJNASFJLVVRJQ-NRFANRHFSA-N 480.496 2.344 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865029167 HOPHIUJYBLLOEO-MGPUTAFESA-N 456.543 2.184 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(O)cc4)n(C)n3)CC2)cc1 1869969450 NMICEYMXVIDNQB-INIZCTEOSA-N 452.515 2.262 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC(C)C)cn3C[C@@H]3CCCO3)CC2)cc1 1870510721 WFVGUKHJQHXBOL-DEOSSOPVSA-N 498.624 2.262 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873166725 XKHNZTNRBRTHLK-HSZRJFAPSA-N 478.593 2.275 10 10 JECE CCCCNC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870516656 PEYCCUJJUIBYJB-UHFFFAOYSA-N 456.587 2.494 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871589724 ZZSVUTMCWOIPJZ-UHFFFAOYSA-N 487.612 2.249 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCc3nc(O)c4ccccc4n3)CC2)cc1 1872673101 VFMNZMDHROJMRR-UHFFFAOYSA-N 462.466 2.268 10 10 JECE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CSC[C@@H]3C(=O)O)C2=O)cc1 2297332058 RISNCOZLFRTGHL-CYBMUJFWSA-N 466.562 2.051 10 10 JECE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 33935926 NMBMSTRHMUTXCZ-DSQDWWTGSA-N 460.581 2.441 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011417 UINAUCOIRCFTPI-XOBRGWDASA-N 464.522 2.428 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc1 1869067368 PQKUXVJVBLQIAC-UHFFFAOYSA-N 484.519 2.040 10 10 JECE CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(S(=O)(=O)N(C)C)cc4)nn3c2=O)cc1 2326171220 DKXMBFPMGATURJ-UHFFFAOYSA-N 483.619 2.462 10 10 JECE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3c(O)cccc3F)cc2)CC1 1678146308 JQXHVGOPCVGCQU-UHFFFAOYSA-N 458.534 2.116 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4ccc(F)cc4)c(C)[nH]3)CC2)cc1 1858532418 UNWKDYNHZUEGKO-UHFFFAOYSA-N 465.529 2.412 10 10 JECE NC1=C(C(=O)NCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015878 FNDZGHWJWZNNFZ-FQEVSTJZSA-N 485.500 2.149 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865026610 QFCPOMXKDIYBBH-JOCHJYFZSA-N 490.564 2.234 10 10 JECE CC(=O)Oc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722101 IPCCWQXHOFIIGH-LOSJGSFVSA-N 496.608 2.112 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647019 IGCZQJBCGDTOOX-UHFFFAOYSA-N 483.020 2.421 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCOCCO)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871528414 FAZDMZWTEAQXDO-UHFFFAOYSA-N 493.612 2.410 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314836392 DVWQTIAUDNSGLC-NSHDSACASA-N 463.562 2.268 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@H](CCC(=O)N2CCc4ccccc42)N3C)cc1 1616164966 YOLGUBGGAMTWAT-VXQMPNGUSA-N 475.637 2.495 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862169781 WVDCLDCTVCNOAR-DHLKQENFSA-N 490.604 2.384 10 10 JECE O=C1/C(=C/c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 33724220 XRXXVBWLPXMYRM-HNDQUVLASA-N 490.632 2.437 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)cc1 742947407 DGTPGKYXNPIPEG-UHFFFAOYSA-N 455.559 2.014 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)N2CCOCC2)cc1 1858074091 CKMQRMSKCVKXIW-LJQANCHMSA-N 456.509 2.043 10 10 JECE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035107 LJERIGNIJFHDGB-HXUWFJFHSA-N 496.951 2.456 10 10 JECE CC(C)(NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866581885 KHGZVFWYTDBVKV-AWEZNQCLSA-N 468.531 2.120 10 10 JECE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2CC(=O)NCC2CC2)cc1 248083853 WAUSJPRRZBQQCZ-WXFUMESZSA-N 462.550 2.121 10 10 JECE COC(=O)c1cc(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)ccc1OC 742947408 DIIVAYLJEDEMGO-UHFFFAOYSA-N 456.543 2.112 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030600 MSMHBYQPMXDQSU-HRAATJIYSA-N 491.548 2.309 10 10 JECE O=C(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868145789 HBHPLNJFHVXMSL-UHFFFAOYSA-N 463.396 2.434 10 10 JECE CN1C(=O)C(=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 59387167 ZATVVEPRVLABAP-UHFFFAOYSA-N 463.494 2.351 10 10 JECE CCCNC(=O)COc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680309 BKNJBFPIBNKQTD-DEOSSOPVSA-N 498.624 2.263 10 10 JECE COc1ccc(CN2C(=O)NC(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296400217 FNMNMAGGCMFWKG-UHFFFAOYSA-N 461.478 2.067 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)cc1 742939436 FBYGPXRTVZYTDH-UHFFFAOYSA-N 484.620 2.078 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)C1 1301643259 CXAJOFJOEPKMIZ-QGZVFWFLSA-N 477.660 2.458 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cc(C)ccc4OC)C3)CC2)cc1 1858401350 GMNLLZLYCUDGHO-LJQANCHMSA-N 473.595 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(=O)n(Cc4ccccc4)c3)CC2)cc1 1861987318 JSKKWZGUQPJSEG-FQEVSTJZSA-N 474.561 2.372 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014464 VNYNYLXXGTXLOF-GOSISDBHSA-N 452.515 2.043 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864022953 SMIKWXCTDQOQGF-CQSZACIVSA-N 470.448 2.426 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H]2CO)=C(N)O3)cc1 1865033571 CUFUVVCAESJRAK-UZLBHIALSA-N 492.532 2.185 10 10 JECE CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868789645 CLHVWSFPIOTWQW-AUSIDOKSSA-N 464.566 2.292 10 10 JECE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(C2CC2)C1=O 2296934928 NJLIUTCDUVEZEJ-UHFFFAOYSA-N 491.525 2.289 10 10 JECE COC(=O)C1CCN(c2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])CC1 40611275 ZGNVRWHABJFFFW-UHFFFAOYSA-N 456.503 2.109 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CC1 1634074994 YBCKOQOMEDVKBU-BDTNDASRSA-N 456.587 2.474 10 10 JECE CC(=O)c1cn(C2CN(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)C2)nn1 1681899103 HNMMWOIVIKNNAU-UHFFFAOYSA-N 452.437 2.103 10 10 JECE CC(=O)N1CCC(CC(=O)NCCc2ccc(O)c(O)c2)(N2Cc3ccccc3C2=O)CC1 1860218010 VOVLQJSSANWMJG-UHFFFAOYSA-N 451.523 2.184 10 10 JECE COc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867318683 MCHRIVKQTOHHQV-BJKOFHAPSA-N 468.598 2.195 10 10 JECE CCCc1nc(N2CCN(CC(C)=O)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869220451 CJIZPRORIUHCGZ-UHFFFAOYSA-N 452.603 2.475 10 10 JECE O=C1C(=Cc2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2053493214 FMTYJJKDCLBIKC-UHFFFAOYSA-N 499.662 2.343 10 10 JECE Cc1ccc(CNC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2380759050 LEZHTOMFQWHFGV-LBPRGKRZSA-N 465.366 2.017 10 10 JECE CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862166889 DVCODIBRCJXBBN-QPPBQGQZSA-N 478.593 2.287 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865028947 BTSRTJQABFYSOM-OXJNMPFZSA-N 456.543 2.471 10 10 JECE COC(=O)COc1cn(Cc2ccccn2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870450624 ZDTRJRQUPJNDGZ-UHFFFAOYSA-N 478.549 2.174 10 10 JECE CCCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873573329 FEKKTQRGHWJFRI-KRWDZBQOSA-N 452.559 2.287 10 10 JECE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2297352432 FEPUETDKRKKECF-AWEZNQCLSA-N 490.632 2.073 10 10 JECE C[C@@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)c1ccc(N2CCOCC2)cc1 920865444 CMIQSBRUIPWDEU-AEFFLSMTSA-N 473.551 2.000 10 10 JECE CC(=O)c1cc(F)cc(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1O 1473255106 RBDMHCCNLFPJJA-UHFFFAOYSA-N 451.476 2.368 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4)cn3CCO)CC2)cc1 1870759192 HZPZVHPJVMMEHD-UHFFFAOYSA-N 492.576 2.189 10 10 JECE CCOc1c(OC)cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 2295172596 GWQDVYCXOMRCAG-UHFFFAOYSA-N 460.468 2.456 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864016363 NEPINYLWHGALHZ-LJQANCHMSA-N 472.505 2.275 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864021953 SBCAVAGKBREHKA-OAQYLSRUSA-N 499.612 2.046 10 10 JECE COCCOCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(OC)cc1 1869970436 SDOMWVIJPCVATI-UHFFFAOYSA-N 496.568 2.213 10 10 JECE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871700707 SZSRFOBPNIFWSO-UHFFFAOYSA-N 459.558 2.492 10 10 JECE COc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 101118387 ZTAPOFJMNQUOSC-SDXDJHTJSA-N 484.534 2.449 10 10 JECE Cc1cc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c(C)n1-c1ccc2c(c1)OCCO2 108626714 WNZYEZPMOKYIFH-UHFFFAOYSA-N 451.527 2.380 10 10 JECE C[C@@H](O)Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cccc(O)c1C3=O)[C@H](O)C2 725430784 CSXRQTQEHPUEGX-JDNHERCYSA-N 476.437 2.457 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4ccc(C)cc4)C3)CC2)cc1 1615146776 GBHPQJCBOZEMBO-AOYPEHQESA-N 456.583 2.212 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864012627 FNXGUOHLUMWXCG-QVKFZJNVSA-N 492.532 2.435 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@H]2CCCO2)=C(N)O3)cc1 1864022553 OMTRUANNKLEXHD-YLJYHZDGSA-N 492.532 2.497 10 10 JECE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323800829 VAUQMSWKZDBENA-QMMMGPOBSA-N 465.734 2.338 10 10 JECE COc1ccc(N2CCN(C(=O)C3CCN(c4nnc(N5CCCC5=O)s4)CC3)CC2)cc1 9251962 DKLLYMGSKCQNPM-UHFFFAOYSA-N 470.599 2.239 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864021858 HJZZHYCRYQGTEB-HNNXBMFYSA-N 491.426 2.155 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CC(O)C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865026989 CLJKOYIJILPYMT-JOCHJYFZSA-N 476.533 2.166 10 10 JECE CCN1CCN(c2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3C)CC1 1873544740 TWGJWASAOFJNDF-UHFFFAOYSA-N 463.586 2.081 10 10 JECE COc1ccccc1C=C1SC(=S)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314827834 NGSQBSNCUXCQHH-UHFFFAOYSA-N 463.562 2.183 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCCC4)cc3C)CC2)cc1 743432148 GXKKHEWTBPXNEF-UHFFFAOYSA-N 465.598 2.481 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864008531 MDKDMXMYOJEPGL-OAQYLSRUSA-N 474.521 2.460 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865027451 YKJDDCHCFBPGKU-QFIPXVFZSA-N 494.523 2.468 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(=O)OCC)CC1)=C(N)O2 1865030859 SSAFUWHQMNTEDX-LJQANCHMSA-N 499.568 2.262 10 10 JECE CC(=O)Oc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722099 IPCCWQXHOFIIGH-DQEYMECFSA-N 496.608 2.112 10 10 JECE CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](C(=O)C(=[N+]=N)S(=O)(=O)c3ccccc3)[C@@H]2O1 96481856 WRBPLQMVYMAVRU-JKBKZWBZSA-N 459.500 2.129 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C3(CC(=O)OC(C)(C)C)CCOCC3)cc2)CC1 1296399412 IQJZVRFACCHZIQ-UHFFFAOYSA-N 459.587 2.500 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864019623 NUJZUYLXGCHDSJ-LJQANCHMSA-N 464.478 2.133 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865027277 XFIGEABBFXPKMQ-OAQYLSRUSA-N 493.520 2.093 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871693955 CRPGNNYYYFJMCF-GOSISDBHSA-N 478.601 2.231 10 10 JECE Cc1nc(I)c(NC(=O)c2cc(O)nc(O)c2)c(I)n1 2178372781 DWWBXJIOWALDCR-UHFFFAOYSA-N 498.018 2.053 10 10 JECE Cc1ccc(N2C(=O)[C@H](C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 2313557641 IGFGILVKNVKGIS-QGZVFWFLSA-N 480.477 2.016 10 10 JECE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2C(=O)O)SC1=S 2327744314 OWDSDZCCWRMEPG-GFCCVEGCSA-N 461.477 2.090 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330508063 RMMQOTJKFFJHEU-GOSISDBHSA-N 451.523 2.333 10 10 JECE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731406499 MRWBEQMNRBWQEX-HXUWFJFHSA-N 459.568 2.302 10 10 JECE CC(=O)N1Cc2ccc(S(=O)(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc2C1 1622218883 HZOQWLFGSIYECG-UHFFFAOYSA-N 451.495 2.142 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(Cc2ccccc2)C1=O 2296247588 HQBXNMRXJUFSME-FQEVSTJZSA-N 462.531 2.169 10 10 JECE CCOC(=O)N1CCN(C(=O)CCN2C(=O)C(=Cc3ccc(C(=O)OC)cc3)SC2=S)CC1 2296755647 WORYSWBJNDEATC-UHFFFAOYSA-N 491.591 2.365 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3Cl)CC2)cc1 12023943 HDYKMSZDKFJZFZ-UHFFFAOYSA-N 463.943 2.378 10 10 JECE CC(C)CCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 33567477 PGXVECFFZPUBOK-DTQAZKPQSA-N 462.597 2.363 10 10 JECE CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 58094890 OBTNYWKEIBOKBA-JOCHJYFZSA-N 452.555 2.138 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(=O)n(C)c3)CC2)cc1 1861979474 CRPSSZFCLOTHJE-DEOSSOPVSA-N 474.561 2.084 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862044743 SZMULXMARNVSNL-PKTZIBPZSA-N 455.530 2.389 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032871 NDZGARDVMAVQRG-HXUWFJFHSA-N 462.506 2.052 10 10 JECE CN(C)c1ccc([C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1866120656 FXNPWQGUUTWZEU-JTHBVZDNSA-N 492.580 2.252 10 10 JECE CC[C@H](C)NC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870520399 GAQZRNGHAUUDCP-FQEVSTJZSA-N 486.613 2.119 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600248 XXARHJOWTGHOJN-UHFFFAOYSA-N 462.602 2.158 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873166641 DXQJCDRHGLIXJA-UHFFFAOYSA-N 474.565 2.187 10 10 JECE CC(C)(C)OC(=O)NCCCONC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136263042 ZJOWPQOOXXKCFR-HNNXBMFYSA-N 469.535 2.496 10 10 JECE COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3=O)CC2)cc1 64606171 XSVDPYXIEIBTIV-UHFFFAOYSA-N 485.972 2.374 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865033041 QGXLOVHZVJKOAJ-OAQYLSRUSA-N 491.548 2.183 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@H]2CO)=C(N)O3)cc1 1865033568 CUFUVVCAESJRAK-JXFKEZNVSA-N 492.532 2.185 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865035175 NDUPZAJXGOQEBK-QVKFZJNVSA-N 491.548 2.166 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 1890787657 YYFATSZKINUTIV-HXUWFJFHSA-N 460.600 2.150 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 2680122 IBKPZRSPZXAEPZ-OQLLNIDSSA-N 450.519 2.203 10 10 JECE CN(C)c1ccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 35398737 IKWWFOIUXMDAGU-UHFFFAOYSA-N 484.622 2.478 10 10 JECE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 1083920306 JXRXYHHYPDYAHP-SFQUDFHCSA-N 452.423 2.106 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)sc(C)c1-c1ccc(Cl)cc1 1860758872 SFRLOIHAYLDWQK-PSLIRLAXSA-N 468.915 2.442 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)CC2)cc1 21026552 YCFOYEOSSRGHDZ-QGZVFWFLSA-N 470.599 2.239 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864014098 NIQLXCVCKCSGRE-IBGZPJMESA-N 457.575 2.419 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034210 RMOYFZRDDFQALY-HNNXBMFYSA-N 481.475 2.192 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4ccccc4)n3)CC2)cc1 1869971111 XORGFHQNMVNSHY-UHFFFAOYSA-N 463.542 2.067 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCOC(C)C)cc1C2=O 1873850904 FOVPXLDOPRJABB-UHFFFAOYSA-N 453.447 2.467 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@](C(=O)O)([C@H](C)O)[C@@H]2C1=O 253382638 ITIZNIKJFPSMJU-PEBCPHBVSA-N 452.507 2.171 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019681 OSILXJRDMMBGMT-LJQANCHMSA-N 450.495 2.413 10 10 JECE COCCc1nc(N2CCN(C(=O)C3CC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869111264 ZMAAPYQAPRMVEF-UHFFFAOYSA-N 480.613 2.059 10 10 JECE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 247965809 QMRGGXGODFCXPC-MFCZKXCZSA-N 490.266 2.356 10 10 JECE COCCn1ncc(N2CC[C@@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2)cc1=O 581793692 RWSZYUCXXQELKU-OAQYLSRUSA-N 453.587 2.365 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc(OC)c(OC)c4)ccc3=O)CC2)cc1 585171977 BCSFOGDVZSGKPV-UHFFFAOYSA-N 464.522 2.285 10 10 JECE CC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862305616 OTYIGUJSMMPFKE-OAQYLSRUSA-N 455.555 2.499 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 1868610066 RVASOKDCDQCQPF-RUZDIDTESA-N 467.566 2.499 10 10 JECE COCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040498539 MCUCPLBNWJWZGL-UHFFFAOYSA-N 462.622 2.404 10 10 JECE Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1S(=O)(=O)N(C)C 1858074869 UYUKKCDMMUFBMC-JOCHJYFZSA-N 474.627 2.115 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008231 GITUYPIEPXICJY-HXUWFJFHSA-N 450.495 2.358 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864012799 JIJXNODVIABZCN-OAQYLSRUSA-N 492.580 2.394 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865035431 TYNQPPGNOUGHHI-HXUWFJFHSA-N 482.512 2.189 10 10 JECE CN(C)C1CCN(c2nc(=Nc3cc(Cl)ccc3O)nc(N3CCC(N(C)C)CC3)[nH]2)CC1 1871732551 MYCCCPJWXFMRNG-UHFFFAOYSA-N 475.041 2.457 10 10 JECE CCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040499498 ZSUZVYPXWGFOON-UHFFFAOYSA-N 462.597 2.425 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)CC2)cc1 742919329 FKCUBYWUQTVWQP-UHFFFAOYSA-N 467.545 2.251 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864013842 HGJDATCGXICDHC-IBGZPJMESA-N 457.575 2.419 10 10 JECE Cc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(S(N)(=O)=O)c1 1867249313 XSMCMDILEGJACZ-CQSZACIVSA-N 491.525 2.175 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549939 BINNAYHFACTAGN-IBGZPJMESA-N 463.586 2.204 10 10 JECE Cn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4F)cs3)ccc2n(C)c1=O 1892205972 QTERCTOYBHUTGO-UHFFFAOYSA-N 464.475 2.440 10 10 JECE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCCOC)C2=O)CC1 2053497172 YOPDQZBOZKKOJA-UHFFFAOYSA-N 487.651 2.383 10 10 JECE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206862474 UUFYDAADZVPQMB-LGMDPLHJSA-N 464.565 2.079 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CC1 1567591301 DMLFZCFWVLVACD-UHFFFAOYSA-N 455.471 2.421 10 10 JECE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)CC1 1690815866 QGANFORSKYRZND-UHFFFAOYSA-N 484.626 2.456 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1862134294 IYFQFVJOCQEGBI-JOCHJYFZSA-N 486.594 2.020 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cnccn3)CC2)cc1 1862038345 TZQDWDFJJCYOEA-QFIPXVFZSA-N 463.513 2.314 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871691804 GKLPUQDEOIGQMA-SFHVURJKSA-N 479.585 2.482 10 10 JECE CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546267 IVYOOKAZXCISLJ-UHFFFAOYSA-N 491.596 2.091 10 10 JECE CC(C)N1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2297312869 VQWIMDRYPWAXPI-UHFFFAOYSA-N 473.624 2.438 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=S)N(c2cccc(OC)c2)C1=O 2376328 KKNRFTSTJZYYKP-MTGKDYNDSA-N 478.530 2.182 10 10 JECE CN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)CO5)cs3)ccc21 11857990 GVXPWJXYZCJASF-UHFFFAOYSA-N 470.532 2.485 10 10 JECE CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432127 GHPWEFPMDCGMEK-UHFFFAOYSA-N 469.542 2.141 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028217 RTYXFRHXGJCXPA-QFIPXVFZSA-N 491.548 2.069 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccccc3O)CC2)cc1 1865525194 DTPWGGFSZOWSFD-JOCHJYFZSA-N 475.549 2.486 10 10 JECE CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868789647 CLHVWSFPIOTWQW-WMZHIEFXSA-N 464.566 2.292 10 10 JECE CCOc1cccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1O 1860718170 BRBOBRDDZFMTJO-UHFFFAOYSA-N 471.539 2.418 10 10 JECE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013216 SYEALVLTVNCLAT-FQEVSTJZSA-N 482.512 2.237 10 10 JECE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030103 CHBYWDUXGXFQMZ-OAQYLSRUSA-N 494.523 2.332 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865031907 QYJAISBABSKMOK-HXUWFJFHSA-N 475.549 2.357 10 10 JECE Nc1ccc(OCC(=O)Nc2c(I)ncnc2I)cc1 2177526194 PJMIQJGMUILQQZ-UHFFFAOYSA-N 496.046 2.286 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)c(C)c4)C3)cc2)CC1 1634074364 MOTKJJZFQPLBKV-FQEVSTJZSA-N 452.530 2.472 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1 1868039552 SQFDZZUVRUQERZ-QFIPXVFZSA-N 478.549 2.390 10 10 JECE CC(C)(C)OC(=O)NC1CCN(c2cccc3c2C(=O)[C@H]([C@H]2CCC(=O)NC2=O)C3=O)CC1 1887521611 BSOIYJWQMROABK-DNVCBOLYSA-N 455.511 2.228 10 10 JECE COc1cc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)ccc1O 33723478 JJKXMDHLWINWEO-IUXPMGMMSA-N 490.515 2.419 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)CC2)cc1 59817804 FEAIFNQVACPHPD-UHFFFAOYSA-N 499.999 2.070 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549264 QHZCEBVXTLUXBR-UHFFFAOYSA-N 463.586 2.205 10 10 JECE COCCOCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642501 GGQPMOYKZKNSBF-RUZDIDTESA-N 494.592 2.216 10 10 JECE Cc1nc(N2CCN(C)CC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1 54202126 GJMRQBRESNHZTC-UHFFFAOYSA-N 474.569 2.049 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1 742910165 AEXFKBYSKNSYCG-RUZDIDTESA-N 463.582 2.162 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1865026003 HQKWTVYHPWXUMJ-SFHVURJKSA-N 487.557 2.430 10 10 JECE CC[C@@](C)(NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869054026 ZYGKLZOBEHCCBV-WIOPSUGQSA-N 453.587 2.327 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2200970447 ZIRXZUHNDVRDNR-INIZCTEOSA-N 480.562 2.118 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1OC 35638798 ILITXSRNTGHUGU-GHRIWEEISA-N 451.570 2.049 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccccc2)CC1 2296453256 CXXFPNWTAIRYNF-UHFFFAOYSA-N 462.510 2.249 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862044742 SZMULXMARNVSNL-GOTSBHOMSA-N 455.530 2.389 10 10 JECE NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015793 VIHUSWKUKKFUTB-OAHLLOKOSA-N 476.411 2.105 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865032037 UGDWVFZENVCTFJ-MGPUTAFESA-N 476.533 2.424 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 727941468 WVCBYZJBQPUMON-UHFFFAOYSA-N 457.600 2.009 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(F)cc4F)cc3O)cc2)CC1 1447716573 YADAEJJIMHVFCW-UHFFFAOYSA-N 455.465 2.455 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)CC1 1537424641 ZGCGLYZCNNSBKZ-UHFFFAOYSA-N 453.499 2.352 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1690792769 SRCSMWXDBZXUDA-DLBZAZTESA-N 498.700 2.124 10 10 JECE CCN1CCN(C(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n3ccccc23)CC1 1858224465 XIRUNZYJGOWTRF-UHFFFAOYSA-N 476.581 2.083 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)O)sc(C)c1-c1ccc(Cl)cc1 1860758874 SFRLOIHAYLDWQK-VFZGTOFNSA-N 468.915 2.442 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2040498524 LYIULJXBMPAPTM-KBPBESRZSA-N 460.581 2.156 10 10 JECE COc1ccc(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 8674630 WJUGSQTXYRFINJ-UHFFFAOYSA-N 452.529 2.241 10 10 JECE CCN1CCN(c2c(/C=C3/SC(=S)N(CCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479016 BIYPJNKHAXHIFA-QGOAFFKASA-N 475.640 2.038 10 10 JECE CC(C)(C)N1C(=O)[C@H]2[C@H](C1=O)[C@](COCc1ccccc1)(C(=O)O)N[C@H]2c1ccc(O)c(O)c1 248209646 CLNSKFVWLYXKGH-PBQROFAYSA-N 468.506 2.182 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1 1435912029 NEXLODDYYMLGRI-UHFFFAOYSA-N 456.568 2.392 10 10 JECE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1722792029 CNUZSODPIHYRJS-UHFFFAOYSA-N 485.589 2.192 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015159 KNXUGUACDYBMBC-ZDUSSCGKSA-N 456.421 2.088 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875221771 FOBRNPHAKCFFAO-GOSISDBHSA-N 482.585 2.232 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2296307025 ATGGLPAUTPUMTD-HXUWFJFHSA-N 462.462 2.017 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15047604 DVWQTIAUDNSGLC-FFCYNSPCSA-N 463.562 2.268 10 10 JECE CN(C)S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 914581256 FDCHNMFRVCFRSY-HXUWFJFHSA-N 470.555 2.158 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871577003 NTUCMGCUTUQUAF-UHFFFAOYSA-N 467.549 2.300 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)N(C)C3CCCCC3)CC2)cc1 1872641828 XFWRKMNTBIIOPE-UHFFFAOYSA-N 471.558 2.139 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4ccc(C)c(C)c4)C1=O)N(C)CC3)OCO2 2297639381 OATDKCWTINWDON-IBGZPJMESA-N 492.532 2.326 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15047555 FIAKQPAVVGPJAC-FFCYNSPCSA-N 463.562 2.268 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)cc2)CC1 1622027003 VLQSVOGPEAWYJL-UHFFFAOYSA-N 450.492 2.189 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CNC(C)=O)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869971096 XDLJUQVIFHSSHB-UHFFFAOYSA-N 483.960 2.331 10 10 JECE CCN(CC)C(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870630783 ZZTWGKZEAVWHAS-UHFFFAOYSA-N 456.587 2.446 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2080880994 QJJSMTJWMUTUJB-ZNMIVQPWSA-N 451.520 2.315 10 10 JECE COc1ccc(CN2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 96133955 DSERGMQQAKVQAV-QXMHVHEDSA-N 478.593 2.253 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 1858396054 LTYIVVPDWXUCRW-SFHVURJKSA-N 459.568 2.063 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871693956 CRPGNNYYYFJMCF-SFHVURJKSA-N 478.601 2.231 10 10 JECE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314761881 ZHJLNBVYJMSIMK-UHFFFAOYSA-N 478.592 2.469 10 10 JECE CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 34145018 WJSVCFHFAAOHLG-VDNWNZSNSA-N 471.491 2.327 10 10 JECE Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 35387301 OAHJWRIYYNGWOP-YAJBTMAUSA-N 485.635 2.135 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCCOc3cccc(NC(C)=O)c3)CC2)cc1 729227290 ASVYHZVZPCBZMO-UHFFFAOYSA-N 455.559 2.154 10 10 JECE CC(=O)c1cn(C2CN(C(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2)nn1 1180301449 NOJIJGSBJXRVEY-IUXPMGMMSA-N 459.528 2.295 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865029918 YNPCTHAZJFACSS-FQEVSTJZSA-N 455.559 2.262 10 10 JECE COCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870510563 OGNOFEPKWHVZEW-UHFFFAOYSA-N 486.613 2.119 10 10 JECE CCN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988004 ZDWGKCGVMXMJQW-FYWRMAATSA-N 458.565 2.259 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 39729219 QEAIRQATOKTVNI-LUYJPIOASA-N 462.597 2.423 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)CC2)cc1 742926883 DPXMMZDQINASJD-UHFFFAOYSA-N 451.976 2.304 10 10 JECE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1869129084 UFPDULJISFDIQR-UHFFFAOYSA-N 477.617 2.138 10 10 JECE CCN1C(=O)C(=Cc2cc(CN3C(=O)c4ccccc4C3=O)c(OC)cc2OC)C(=O)NC1=S 2296946529 MGUXRYOXMZTKRI-UHFFFAOYSA-N 479.514 2.147 10 10 JECE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N21 2297345042 KVYQWKIWVRHNNI-UHFFFAOYSA-N 490.544 2.076 10 10 JECE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(C)n1-c1ccccc1 62694468 CEPHBXBGKWAGQC-UHFFFAOYSA-N 493.589 2.453 10 10 JECE CN1C(=O)COc2ccc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc21 1860743679 DOGYRHLKMPTOFV-UHFFFAOYSA-N 455.426 2.394 10 10 JECE CCCn1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861984449 CKQNLOYHULXLFW-JOCHJYFZSA-N 452.555 2.220 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862045053 NHYGZIVWQLNMRD-OAQYLSRUSA-N 486.550 2.476 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865026287 LSNRSXDTYILKBU-VGSWGCGISA-N 491.548 2.445 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)CC(=O)OCC)[C@H]2c1ccc(O)c(O)c1 1865033842 IUNBMWJZSLCGAD-HNNXBMFYSA-N 498.458 2.439 10 10 JECE CCN(CC)C(=O)C[C@@H]1CCN2C[C@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O 212545250 VQBRHKNSGVIPJV-FCHUYYIVSA-N 485.673 2.082 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCOCC3)ncnc21 1873548375 ZJVJCJCYPJLALV-UHFFFAOYSA-N 450.543 2.259 10 10 JECE CS(=O)(=O)c1cnn(Cc2cc(Br)ccc2O)c1I 2070261133 QEXHHCBVIAWFDT-UHFFFAOYSA-N 457.087 2.408 10 10 JECE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccccc3)c3cccnc3)CC2)cc1 16953844 DTXGZQUMOZTVQP-RUZDIDTESA-N 473.577 2.386 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865029426 MYMMRXBQWCREDP-NRFANRHFSA-N 478.549 2.500 10 10 JECE CCCCOCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870667139 QUGYWAKHOAQUMW-UHFFFAOYSA-N 486.613 2.250 10 10 JECE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1c(C)no[n+]1[O-] 2053498542 ZMQZKJDHBFYSBC-UHFFFAOYSA-N 458.315 2.455 10 10 JECE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314414157 QZUUNSATTHXUOG-ZDUSSCGKSA-N 478.621 2.213 10 10 JECE COc1ccccc1C(=O)NN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=S 1786675 YHGKQZQXXJXQFL-WUKNDPDISA-N 469.500 2.043 10 10 JECE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101765129 GQTDLUKXUFUTSU-FQEVSTJZSA-N 461.522 2.444 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865028904 AQPPKNOEDWMOSW-BEFAXECRSA-N 456.543 2.242 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3cnc4c(N5CCCC5)nc(Cl)nc43)CC2)cc1 1860341799 SFXQYIQNKYRHON-UHFFFAOYSA-N 455.950 2.437 10 10 JECE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031625 KXKCGYIPHXJWLX-RULNRJAQSA-N 468.432 2.181 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1ccc(O)c(O)c1 1865032019 TUOYTKVFQUKNRO-LJQANCHMSA-N 462.506 2.269 10 10 JECE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 2314928142 QLOYFXYOVMPGST-QWHCGFSZSA-N 453.494 2.448 10 10 JECE CCCn1cc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861986557 PORXJUYCKUGWBM-NRFANRHFSA-N 470.595 2.131 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864021580 PZCHHVPQEDBQGN-LJQANCHMSA-N 484.553 2.373 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865026285 LSNRSXDTYILKBU-JTSKRJEESA-N 491.548 2.445 10 10 JECE COCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccc(C)cn3c2=O)SC1=S 2297469130 SFTSXZRTLIYKES-UHFFFAOYSA-N 462.622 2.404 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 678055 YXJILTLZWITXPD-YBEGLDIGSA-N 460.874 2.379 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)cc1 726243134 HGQUTETZRPSXDF-RUZDIDTESA-N 495.624 2.225 10 10 JECE C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CS2 800366431 CNPCUWIMZDCLLZ-UUOWRZLLSA-N 464.499 2.398 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871547836 DPYWHWOZQQRXBQ-UHFFFAOYSA-N 463.586 2.469 10 10 JECE CCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873559236 ROJBICIIGLZFKF-UHFFFAOYSA-N 496.612 2.257 10 10 JECE CCCCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873583892 JBPHEBHNCMSDCV-UHFFFAOYSA-N 452.559 2.289 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc32)SC1=S 2326943778 RZJGUOSQBZKMGT-UHFFFAOYSA-N 473.576 2.482 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)CC2)cc1 2330566905 WEYYUYYWWHKJBM-UHFFFAOYSA-N 467.522 2.107 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S 2040500378 CTXKMQVRJSYDSR-UHFFFAOYSA-N 462.597 2.425 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)C(C)(C)CS4(=O)=O)cc3)CC2)cc1 12023050 TWSYBTUPPKFVKS-UHFFFAOYSA-N 457.552 2.360 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031373 FLPFDAGSJUYWMG-HXUWFJFHSA-N 476.533 2.424 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865032482 CZXDYRPNUDHERJ-NRFANRHFSA-N 475.549 2.437 10 10 JECE CN(C)c1ccc([C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1866120654 FXNPWQGUUTWZEU-GGAORHGYSA-N 492.580 2.252 10 10 JECE C[C@@H](O)Cn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871261814 XIJBFWRCCYXNPP-LJQANCHMSA-N 480.565 2.462 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 2330545665 GTIHFTHJIZNYQD-UHFFFAOYSA-N 469.538 2.199 10 10 JECE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 33467692 NJYVLLCGJYGSGF-PUMYGXPMSA-N 487.651 2.180 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(NC(=O)OC(C)(C)C)cnn3C)cc2)CC1 1634074551 PSXMEPANPWORKZ-UHFFFAOYSA-N 456.547 2.366 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865032483 CZXDYRPNUDHERJ-OAQYLSRUSA-N 475.549 2.437 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468050 GFFWPVXVOCCSQQ-SJPXOZHESA-N 489.667 2.162 10 10 JECE CCNC(=O)COc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870532167 SXQBJNFCVIOQNL-UHFFFAOYSA-N 480.565 2.335 10 10 JECE CCOc1ccc(NC(=O)COc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872674534 QIZRTVYDTDVBDV-UHFFFAOYSA-N 481.509 2.457 10 10 JECE COCCN(CCOC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1873547293 JATKAEOMJISVNB-UHFFFAOYSA-N 482.585 2.039 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248212411 DTPVZZHASVHARP-PBQROFAYSA-N 468.506 2.218 10 10 JECE CCOC(=O)C1=CC(c2ccccc2)=S=C1NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 1860741313 VZVXOAYLLAVSOX-UHFFFAOYSA-N 452.488 2.115 10 10 JECE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015228 MUFYNDCGTOCJDC-HNNXBMFYSA-N 483.491 2.393 10 10 JECE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(N)cc1 2106749738 DWYACIQRALCSKV-SFHVURJKSA-N 468.595 2.360 10 10 JECE COc1ccc2[nH]cc(CCN3C(=O)N[C@H](CCC(=O)NCCc4ccc(O)c(O)c4)C3=O)c2c1 1860380276 QYSJPVQEFOCSJQ-HXUWFJFHSA-N 480.521 2.190 10 10 JECE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019277 XPVHNXJNMGXFLB-LJQANCHMSA-N 484.940 2.362 10 10 JECE Cc1nnc2sc(CCC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12 1867041773 IMQMHCIIGPIXKG-GFCCVEGCSA-N 488.529 2.346 10 10 JECE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871624636 HNYJUKGDXQNOEU-UHFFFAOYSA-N 489.584 2.119 10 10 JECE CC(=O)OCc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)o1 204476527 SRILPVMJCLDJKM-NVNXTCNLSA-N 452.204 2.409 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCNC(C)=O)[C@@H]2c1ccc(O)c(O)c1 1864016647 UTIFSFZRBRRQAO-HXUWFJFHSA-N 491.548 2.318 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026264 LEYCCODVXKATKE-FQEVSTJZSA-N 482.924 2.202 10 10 JECE CCCCNC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870515153 WMXQXMVSJVGSES-UHFFFAOYSA-N 486.613 2.121 10 10 JECE COc1cc(C=C2SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc(OC)c1OC 2297332015 QVPQOQHFYJCXSN-UHFFFAOYSA-N 454.570 2.409 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 2297639508 XXYOYPCHRJQHRH-KRWDZBQOSA-N 498.923 2.363 10 10 JECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CCOC2(CCN(S(C)(=O)=O)CC2)C1 575544468 WCANOGVJPNKEGT-OAQYLSRUSA-N 479.643 2.093 10 10 JECE NC1=C(C(=O)NCCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015792 VIHUSWKUKKFUTB-HNNXBMFYSA-N 476.411 2.105 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865033730 HDQVMCIIJUGJHI-DOMZBBRYSA-N 482.459 2.308 10 10 JECE CCC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869068752 ROHUPMBWYBFEAM-FQEVSTJZSA-N 498.546 2.430 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873165285 GBNRYSJCGSCVHG-UHFFFAOYSA-N 479.625 2.048 10 10 JECE Cc1ccc(N2C(=O)[C@@H](C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 2313557640 IGFGILVKNVKGIS-KRWDZBQOSA-N 480.477 2.016 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 65001204 LWRJVKPESOLUBW-OAQYLSRUSA-N 452.603 2.339 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(C)c4)C3)cc2)CC1 1634074366 MOTKJJZFQPLBKV-HXUWFJFHSA-N 452.530 2.472 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864014107 NMMQXDHMYYFBTK-OAQYLSRUSA-N 499.612 2.190 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152350 RQMFPBISKVVUDK-OKHBPPCESA-N 492.560 2.471 10 10 JECE CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 64818897 JVHBNGVZYDSZCZ-UHFFFAOYSA-N 489.550 2.067 10 10 JECE COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1858038278 XOMBIFKBXZMKPQ-UHFFFAOYSA-N 472.567 2.074 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 1861884241 YFRORKRPLYSLKE-FQEVSTJZSA-N 478.593 2.401 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011117 ZMQCCRAXZKONEC-OAQYLSRUSA-N 470.489 2.393 10 10 JECE COc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867318685 MCHRIVKQTOHHQV-RPWUZVMVSA-N 468.598 2.195 10 10 JECE COC(=O)COc1cn(Cc2ccncc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870447193 FDTCHYLCFFKCMM-UHFFFAOYSA-N 478.549 2.174 10 10 JECE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)CC1 1596091403 HJCQRROFUNWHEM-UHFFFAOYSA-N 463.586 2.499 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)sc(C)c1-c1ccc(OCC)cc1 1860762838 SUVHLTICECEHJP-PIGZYNQJSA-N 478.523 2.188 10 10 JECE CCCCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)N(CCc2ccccc2)C1=O 2297454717 FDIYMVIGQZJSHB-UHFFFAOYSA-N 470.551 2.463 10 10 JECE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 2297534398 UWTUMQGYKBOZBX-UHFFFAOYSA-N 493.339 2.292 10 10 JECE CCOc1cccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1O 1860718550 XTOKDVOWONPLCT-UHFFFAOYSA-N 457.512 2.110 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(F)cc1 1860759241 QBJZZNUNDKZQTF-LBPRGKRZSA-N 466.443 2.022 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864019520 KZNDZYGGZNNQSC-JLTOFOAXSA-N 478.505 2.045 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccn3)CC1)[C@H]2c1ccc(O)c(O)c1 1865029315 KJNMFKOROFVQCJ-QFIPXVFZSA-N 490.564 2.451 10 10 JECE CCCC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868823900 SWEZYGHRGGKWAL-KNQAVFIVSA-N 479.643 2.234 10 10 JECE COCCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2313631212 GECJRFVLQDUZJM-UHFFFAOYSA-N 474.517 2.456 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 210701219 IEBSZIMSCKKCCQ-LFIBNONCSA-N 463.562 2.270 10 10 JECE CC(=O)OC[C@@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 221655814 NXSDPOSAOAWHFZ-PREPNJAASA-N 475.669 2.181 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc([N+](=O)[O-])c1O 1858590927 OSCBOMKYIZAYMA-MHWRWJLKSA-N 495.560 2.400 10 10 JECE COc1cccc(C=C2SC(=S)N(CCNC(=O)CN3C(=O)c4ccccc4C3=O)C2=O)c1 2320656167 IDLAUUANDDXBDT-UHFFFAOYSA-N 481.555 2.309 10 10 JECE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 2323813126 BGFOYJCZRDDTIV-HNNXBMFYSA-N 480.564 2.453 10 10 JECE O=C(O)CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S 33570329 KTCAMSFCUIHRMT-SDQBBNPISA-N 480.505 2.355 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864009658 JOXALIGXHKKPCM-FQEVSTJZSA-N 455.559 2.309 10 10 JECE O=C(CN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1ccc(F)cc1 2053467495 IGFFWTFBNLRZCI-UHFFFAOYSA-N 466.494 2.484 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@H](C)O)N[C@H]2c1cccc(OC)c1O 253383301 LCOWBDFHGABZJT-PGFOEOCHSA-N 482.533 2.180 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cnn(C)c4C)c(=O)n32)cc1 254883453 GZSLRTQDSCXHIR-JOCHJYFZSA-N 479.606 2.296 10 10 JECE CC(=O)c1ccccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256037327 CAJKRBBZCRAUGN-VXKWHMMOSA-N 460.596 2.384 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)CC2)cc1 1862155057 SZNNYCUVVKOIMO-NORHQAJESA-N 481.549 2.496 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018722 BDHUVDHQBCOOMP-BTYIYWSLSA-N 478.549 2.405 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025585 ABJNASFJLVVRJQ-OAQYLSRUSA-N 480.496 2.344 10 10 JECE Cc1ccccc1C(=O)N[C@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867903468 KXFFXHJPYZBMMP-RPWUZVMVSA-N 452.599 2.495 10 10 JECE CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870548209 WCSLOXFYMHWJNG-XMMPIXPASA-N 498.624 2.215 10 10 JECE CCOc1ccccc1NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 44441254 VGLMUTUFYSJSBC-UHFFFAOYSA-N 462.572 2.367 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)c1O 248269424 YYHZBILJILDLMI-FRBSRZPYSA-N 497.504 2.419 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1 1615103986 CUHOPLIPUDLOCT-RSXGOPAZSA-N 474.573 2.351 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864021175 MLVYWYQVSWBNEO-LJQANCHMSA-N 458.559 2.486 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccncc3)CC2)cc1 1865402672 MKVATPNLUJWKIH-OAQYLSRUSA-N 460.538 2.176 10 10 JECE NCCCCCC(=O)N[C@@H](Cc1ccc(O)c(/N=N/c2ccc(NC(=O)C(=O)O)cc2)c1)C(=O)O 27534297 RBPUMVZOKGETHG-BWBFJQJUSA-N 485.497 2.462 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)CC(C)(C)C)CC4)n3)CC2)cc1 35926442 BDXASROICNNRLL-UHFFFAOYSA-N 482.629 2.186 10 10 JECE NC(=O)CN1C(=O)/C(=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 39983448 KQESRAFXTKIQAN-ISLYRVAYSA-N 453.501 2.019 10 10 JECE CC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc21 1469417149 WBPYUEJQMDMATK-NRFANRHFSA-N 456.568 2.219 10 10 JECE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867889651 QLPFVOIDTDVSQR-DQEYMECFSA-N 481.641 2.253 10 10 JECE CC(C)N1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040498328 HUNDQRUXOFRUFI-UHFFFAOYSA-N 457.581 2.006 10 10 JECE Cc1cccc(-n2c(O)nc(O)c(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2=O)c1 2297531857 HACIQUIAIOHEQM-UHFFFAOYSA-N 466.837 2.272 10 10 JECE COc1ccc(N2CCN(c3ncnc(N4CCN(c5ccccn5)CC4)c3[N+](=O)[O-])CC2)cc1 40611264 NUAVBIZSESXKKI-UHFFFAOYSA-N 476.541 2.442 10 10 JECE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)CC1 1596242464 BGRJELFMPOUMCQ-UHFFFAOYSA-N 460.633 2.447 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccn(CC(C)C)c3=O)CC2)cc1 1862018727 PKKVFUUGAJVZFD-HSZRJFAPSA-N 466.582 2.466 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2 1865032478 CZVDRPQYQHUUKV-JOCHJYFZSA-N 489.576 2.433 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3cccnc3)N(C)C)CC2)cc1 1869056289 SFMJJVYAJUSGGK-XZOQPEGZSA-N 485.654 2.280 10 10 JECE CCOC(=O)COc1ccc(/C=C2/SC(=S)N(N3CCN(C)CC3)C2=O)cc1OC 35519925 LYGCXEYVFFGZCV-SFQUDFHCSA-N 451.570 2.001 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254623291 JYBFGSCWHLWGJJ-NRFANRHFSA-N 488.569 2.187 10 10 JECE COc1ccc(N2CCN(c3ccc(NC(=O)C4CCN(S(C)(=O)=O)CC4)cn3)CC2)cc1 1858427500 JSDRIYSBFGRDDZ-UHFFFAOYSA-N 473.599 2.027 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CCNC(C)=O)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970731 WGUVZHBRBPHPJN-UHFFFAOYSA-N 477.569 2.376 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCn4ccnc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600546 KALCBWSZDKVFMX-UHFFFAOYSA-N 485.596 2.493 10 10 JECE COCCNC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824462 AIXGTSPLEOTHEU-UHFFFAOYSA-N 483.594 2.389 10 10 JECE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1 21876428 NICRFJVAMYKGAD-AREMUKBSSA-N 474.565 2.040 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1 727614818 BEANCTHABWJVRL-UHFFFAOYSA-N 482.972 2.411 10 10 JECE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354767661 PDFYMQCAGYJZRJ-HNNXBMFYSA-N 454.518 2.183 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccc(O)c(O)c1 1864009246 CSMUCVVXDPVGIO-FQEVSTJZSA-N 464.478 2.362 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1596144890 VNDGMOZNAPDJTI-SFHVURJKSA-N 476.585 2.405 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@@H]2c1ccc(O)c(O)c1 1864021227 NOUQWNMFJJYFNA-LJQANCHMSA-N 466.542 2.364 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028416 UMHHITXCZUOLJO-IBGZPJMESA-N 468.897 2.143 10 10 JECE CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546514 RQVLGLBXVOOUMN-UHFFFAOYSA-N 450.543 2.259 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020043 UWUJRHKYNOGBNN-OAQYLSRUSA-N 478.549 2.407 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549140 LASYJUXFLROWSQ-UHFFFAOYSA-N 476.629 2.385 10 10 JECE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314414156 QZUUNSATTHXUOG-CYBMUJFWSA-N 478.621 2.213 10 10 JECE COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(N(C)C)cc1)CC2 39362282 ZFPLIVGGQAPANQ-JOCHJYFZSA-N 496.608 2.149 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865029271 JMZGBBTZNXHPOV-LJQANCHMSA-N 455.559 2.031 10 10 JECE COCCN1C(=O)C(=CNCCSc2ncc(C(F)(F)F)cc2Cl)C(=O)NC1=S 2042447940 WJEFGDWUYACLQI-UHFFFAOYSA-N 468.910 2.209 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(NC(C)=O)ccc3Cl)CC2)cc1 743432003 CXUBNMYWOALADH-UHFFFAOYSA-N 473.961 2.184 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3C)c2)CC1 1522406608 LCLIMFDPARJHLL-UHFFFAOYSA-N 456.568 2.456 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864015862 XHILMMANGCQWSA-AWEZNQCLSA-N 461.400 2.256 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873167186 VPCIYUQFPAZXBO-UHFFFAOYSA-N 465.598 2.242 10 10 JECE COC(=O)c1cc(/N=N/[C@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(C(=O)OC)c1 100050324 IHRACTUONPFMSI-OZMIJRPQSA-N 453.411 2.109 10 10 JECE COc1ccc(N2CCN(Cn3nc(N4CCOCC4)n(C[C@H]4CCCO4)c3=S)CC2)cc1 834888158 DNAIWSUOLRXDLT-OAQYLSRUSA-N 474.631 2.218 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)CC1 1154270948 FYIGBVVUHCHUIJ-SFHVURJKSA-N 456.493 2.303 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)cc2)CC1 1625193112 OHLNDQLFIHPLJS-RUZDIDTESA-N 450.583 2.169 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(=O)n(C)c3)CC2)cc1 1861981827 BZSYLJTZLGDQKW-XMMPIXPASA-N 492.551 2.223 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864019986 SVGNFPLGYWPQHI-IBGZPJMESA-N 460.494 2.281 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026624 QLGLDEIGQWDPRK-JOCHJYFZSA-N 493.539 2.259 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865030981 WHICYWJOTWPBRW-LJQANCHMSA-N 456.543 2.192 10 10 JECE COc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c([N+](=O)[O-])c1 2297348086 GEEZYLJQNNXLTF-UHFFFAOYSA-N 475.464 2.485 10 10 JECE COc1cc2nc(N3CCN(C(=O)CCCc4ccc(N)cc4)CC3)nc(N)c2cc1OC 31424920 RWIRGMFTSRJUKZ-UHFFFAOYSA-N 450.543 2.483 10 10 JECE Cn1c(=O)c(C2=NNC(=O)/C2=C2/C(=O)Nc3ccc(Br)cc32)c(O)c2ccccc21 100260838 GFJVFGFLGRWWEN-CCEZHUSRSA-N 465.263 2.246 10 10 JECE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008987 WLTPYJHYMRWMRE-HXUWFJFHSA-N 450.495 2.202 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 1868972650 XBYGJPMZMLJVBY-LJQANCHMSA-N 457.600 2.496 10 10 JECE COc1ccc(N2CCN(C(=O)CC[C@H]3C(=O)N=C4c5ccccc5NC(=S)N43)CC2)cc1 2186566129 LQRQMASGJFKQSE-FQEVSTJZSA-N 463.563 2.492 10 10 JECE Cc1ccc(CNC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2380756446 LEZHTOMFQWHFGV-GFCCVEGCSA-N 465.366 2.017 10 10 JECE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 248212410 DTPVZZHASVHARP-GBWYYYKWSA-N 468.506 2.218 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 743362699 IAJQFGJVLGDVIA-UHFFFAOYSA-N 459.635 2.152 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 1084316386 WWEZEZDYWPDINC-AQTBWJFISA-N 466.450 2.497 10 10 JECE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1Cl 2237051 ZMOKFPVCEOVQIO-NTUHNPAUSA-N 460.826 2.487 10 10 JECE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)c(O)c2)cc1[N+](=O)[O-] 64787616 NUSYGHNMXKYRKF-JOCHJYFZSA-N 478.461 2.453 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)sc(C)c1C 743431957 AOYZMUVOEQVFOY-UHFFFAOYSA-N 488.610 2.427 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864007764 UPXHQCNNPWHWLT-GOSISDBHSA-N 456.886 2.048 10 10 JECE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 2293115884 BPOAKGZGRJKDBQ-UHFFFAOYSA-N 470.503 2.477 10 10 JECE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S)c1ccccc1 2314764390 BGMLWVAFZLYUTD-UHFFFAOYSA-N 483.571 2.470 10 10 JECE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15048660 GGQMMLNCVRHKMD-ZIJPJDFBSA-N 459.343 2.334 10 10 JECE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc([N+](=O)[O-])c(C)c4)n(C)[nH]3)CC2)cc1 1869969176 INXHZLXKBKLPQF-UHFFFAOYSA-N 451.487 2.041 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865038982 ZRHAWCSPXABURT-QRWLVFNGSA-N 470.570 2.438 10 10 JECE CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866589342 SNAKLGZTKJVHSU-RDTXWAMCSA-N 468.531 2.120 10 10 JECE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2C(=O)O)SC1=S 606672086 OWDSDZCCWRMEPG-OEMOTLHWSA-N 461.477 2.090 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009920 NITGUKBABHQHFC-FQEVSTJZSA-N 457.575 2.411 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864017396 LEMNEPMIFRSBDH-IBGZPJMESA-N 480.521 2.183 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3CCN(C)C)CC2)cc1 1870481937 GIBIGZQYMLFKEZ-UHFFFAOYSA-N 486.613 2.071 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2296307024 ATGGLPAUTPUMTD-FQEVSTJZSA-N 462.462 2.017 10 10 JECE CCN1C(=O)c2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1 21877634 KTMKPTFWJOSIEL-VWLOTQADSA-N 466.586 2.172 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017388 LDJFSGOCIIQNJL-FQEVSTJZSA-N 480.521 2.312 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCN4CCOCC4)[C@@H]3C2)cc1 35911081 DJIVOYZPRCASAL-AHWVRZQESA-N 480.609 2.020 10 10 JECE CCOC(=O)C1CCN(c2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])CC1 40611147 RNOUUPTYUYKLJZ-UHFFFAOYSA-N 470.530 2.500 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccn(CC)n4)c(=O)n32)cc1 254828400 LVNROZZXKIGNIS-QFIPXVFZSA-N 479.606 2.471 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)CC1 1668582062 URAXAUYXXMQFIV-UHFFFAOYSA-N 451.552 2.291 10 10 JECE CCOc1cccc(CNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1O 1860718311 LFTMCAPUWFTPFS-UHFFFAOYSA-N 483.974 2.194 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865034352 UKIUCYHHDZWAGQ-NHYWBVRUSA-N 482.459 2.259 10 10 JECE COCCOCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642502 GGQPMOYKZKNSBF-VWLOTQADSA-N 494.592 2.216 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 2053498066 GWFKANFOYAURQC-OAHLLOKOSA-N 472.592 2.220 10 10 JECE CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749825382 HLNLUZZPMIXZNW-UHFFFAOYSA-N 480.548 2.237 10 10 JECE CSCC[C@H](NC(=O)CCNC(C)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802086 BVHMMAUHSKDHOB-IBGZPJMESA-N 467.547 2.165 10 10 JECE CC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868806688 DMHHXNWONHRQMG-RUZDIDTESA-N 480.609 2.318 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCNC(C)=O)n4CC(C)C)CC2)cc1 1873578392 IZAZPKNGKNOPCG-UHFFFAOYSA-N 493.612 2.288 10 10 JECE Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]31)C(=O)N2 504783678 ZLTOLWCUPRACIL-PVFWEKFRSA-N 461.518 2.312 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2)CC1 1309400783 JLEVNXSKSBKKAC-UHFFFAOYSA-N 457.531 2.158 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1 1864008471 KXEZMZQGIVACMZ-QKKBWIMNSA-N 464.522 2.151 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864012001 OTSZLJWBDQQDMO-OAQYLSRUSA-N 481.528 2.163 10 10 JECE CC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869069512 ZOOWNWBFCDRNHD-LJQANCHMSA-N 484.519 2.040 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869971155 ZPQMTCRWLBCKPA-SFHVURJKSA-N 490.630 2.348 10 10 JECE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2040498357 IHYJZFHWNVPRCV-CQSZACIVSA-N 462.597 2.423 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(NCCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498371 IPMWWXVYIBGQNV-UHFFFAOYSA-N 462.597 2.425 10 10 JECE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCC(=O)O 2314932711 OQFDKRMTMVVVJI-UHFFFAOYSA-N 459.505 2.490 10 10 JECE CCOc1cc2c(cc1NC(=O)C(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 743431977 BFZXDYRWIKVKND-SFHVURJKSA-N 482.581 2.294 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4C[C@H](C)O[C@H](C)C4)ccn3)cc2)CC1 1296399747 LWQBCJRBZIWWCA-KDURUIRLSA-N 451.571 2.294 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4cccc(OC)c4)c(C)[nH]3)CC2)cc1 1858532560 BWAMWOPMNGDAPM-UHFFFAOYSA-N 477.565 2.281 10 10 JECE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 1858587760 ZKCNLGQSYJXTGW-XDJHFCHBSA-N 463.625 2.467 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864010647 VHGUFTQFBMFNHO-NRFANRHFSA-N 470.489 2.393 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026363 MMFWMXLDARWAMM-FQEVSTJZSA-N 482.924 2.202 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4OC)n(C)n3)CC2)cc1 1869969883 XDGGBUDEBBLSAE-UHFFFAOYSA-N 452.515 2.176 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873167065 QPADGVWDCNPGAW-NRFANRHFSA-N 450.539 2.079 10 10 JECE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1 2293160991 DGZWSUZGKURVNN-QGZVFWFLSA-N 476.489 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 9440593 QGVSGIVQYQNCAM-UHFFFAOYSA-N 475.592 2.252 10 10 JECE COc1ccc(N2CCN(C(=O)CCn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)CC2)cc1 45998124 YAMKDENHXXSMHW-UHFFFAOYSA-N 489.642 2.422 10 10 JECE CC(=O)CCC(=O)O[C@@H]1[C@H](COC(C)=O)O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H]1OCc1ccccc1 575449114 VUSNIPRUVGUYFN-NBYDKTAJSA-N 477.470 2.383 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871490451 CCYRADHMDMSNTN-UHFFFAOYSA-N 469.977 2.160 10 10 JECE Cn1c(=O)nc(O)c2nc(CSCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c21 1874016256 DLAXFHGMRHMUGZ-UHFFFAOYSA-N 475.486 2.010 10 10 JECE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CSC[C@H]3C(=O)O)C2=O)cc1 2297332059 RISNCOZLFRTGHL-ZDUSSCGKSA-N 466.562 2.051 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCCN4CCOCC4)[C@@H]3C2)cc1 35911088 CWZMRJCGVOFGFM-BDYUSTAISA-N 494.636 2.410 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)CC1 1529144892 JLYMROZGPUHJFL-UHFFFAOYSA-N 456.568 2.320 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)cc2)CC1 1632945267 MKVSJPOQZIBLNW-OAQYLSRUSA-N 455.603 2.336 10 10 JECE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1706003833 UAKQDMUAKCBTJR-UHFFFAOYSA-N 469.634 2.039 10 10 JECE CCS(=O)(=O)c1ccc(Cl)cc1CC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 1861907696 VGFYBKGMULTUAV-UHFFFAOYSA-N 494.013 2.150 10 10 JECE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030514 LNEHVYYQUWWIMF-NRFANRHFSA-N 494.523 2.332 10 10 JECE COc1cc(C=C2SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc(OC)c1OC 2297306918 MEZDANVQBNYKOM-UHFFFAOYSA-N 452.554 2.163 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)Cn3c4ccccc4c4nc(=O)cc(C)n43)CC2)cc1 9251443 VRUPQKNKYAMJDS-UHFFFAOYSA-N 488.592 2.295 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccccn3)CC2)cc1 1862291205 HPJRUQGLBOMEQF-DEOSSOPVSA-N 460.534 2.486 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCCCN3CCCC3)CC2)cc1 1870370317 PUTNOAWNAOKKNI-UHFFFAOYSA-N 484.641 2.426 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2080881148 SDOZESJWXGIEIM-HNNXBMFYSA-N 451.520 2.269 10 10 JECE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297467890 UTWFRXBITZFWEW-UHFFFAOYSA-N 457.493 2.096 10 10 JECE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20239075 NTSQGPOJDIHSSJ-CRKOOCFNSA-N 475.464 2.485 10 10 JECE COc1ccc(N2CCN(c3ncnc(NNS(=O)(=O)c4ccc(C)cc4)c3N)CC2)cc1 40727851 GSXGQXFGKZBMQI-UHFFFAOYSA-N 469.571 2.008 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)CCN1 106263691 IUHXIZHRVQUSHC-LJQANCHMSA-N 454.958 2.445 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)c1O 248224892 IVOZAGMAVVQRSG-NUDCOPPTSA-N 468.506 2.217 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4csc(C)n4)CC3)CC2)cc1 743357701 CQKAWTCPJFTHDZ-UHFFFAOYSA-N 458.632 2.110 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029212 IORZWBXSNBNTDC-FQEVSTJZSA-N 462.506 2.134 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 742939159 AWOVAWUHXWFCDH-JOCHJYFZSA-N 494.640 2.018 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)cc2)CC1 1463511152 IZIUWPXRLJBPNJ-UHFFFAOYSA-N 453.467 2.155 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010916 BVBAKXVQWOWMFK-HXUWFJFHSA-N 484.940 2.498 10 10 JECE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCO)[C@H]2c1ccc(O)c(O)c1 1864017284 JFEDMNUZIAJXGZ-IBGZPJMESA-N 480.521 2.183 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865029524 PHYSNIVEYIVDOL-FQEVSTJZSA-N 455.559 2.117 10 10 JECE COc1cc([N+](=O)[O-])ccc1-n1cccc1C=C1C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 2297346885 VLKAPIUEODJGFM-UHFFFAOYSA-N 474.480 2.015 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCN4CCOCC4)[C@@H]3C2)cc1 169681982 DJIVOYZPRCASAL-RSXGOPAZSA-N 480.609 2.020 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028031 NZJLHHRUKVJDGE-LJQANCHMSA-N 470.913 2.391 10 10 JECE CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868776436 JVEBNQPQHPFMSA-HXUWFJFHSA-N 460.481 2.156 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868874410 CMXRFOFNHKSUKT-QFIPXVFZSA-N 463.538 2.374 10 10 JECE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)n1 2297511485 OZAFUTKFCAYQKJ-UHFFFAOYSA-N 492.517 2.473 10 10 JECE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33474220 QHTJYFJIYDZAIJ-SFQUDFHCSA-N 462.597 2.123 10 10 JECE COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(N(C)C)cc1)CC2 39362284 ZFPLIVGGQAPANQ-QFIPXVFZSA-N 496.608 2.149 10 10 JECE CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CO[C@H]3CC(=O)N3CCC(C(N)=O)CC3)C2)cc1 1614931293 NGOYLLDHWVIALK-QTJGBDASSA-N 456.631 2.484 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC[C@@H]4CCCO4)n4ccccc34)CC2)cc1 1858224245 RFSIJDJQDRMPNO-FQEVSTJZSA-N 463.538 2.214 10 10 JECE CC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066621 YDKOFGIPNFHUAW-XUNZJTMSSA-N 485.673 2.045 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccccc3C)CC2)cc1 1870666282 FUQBJRAHDUSCDK-UHFFFAOYSA-N 476.577 2.400 10 10 JECE CC(=O)OCCSc1ccc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1[N+](=O)[O-] 2297560090 LWLPKWCJEUNSDN-UHFFFAOYSA-N 495.535 2.145 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)[C@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)cc1 9528424 SKBAYDINSATBIG-JOCHJYFZSA-N 494.683 2.388 10 10 JECE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864018335 IVDSWTNGMFQIOD-LJQANCHMSA-N 484.940 2.362 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1 1868765183 DGLSXLUZWJBOFI-OAQYLSRUSA-N 471.627 2.497 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c(OC)c1 2294288637 OUCODUCKYQNGDX-UHFFFAOYSA-N 455.442 2.346 10 10 JECE Cc1c(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296936084 YCPXPVGVIATYIF-UHFFFAOYSA-N 451.483 2.367 10 10 JECE Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 16701604 FPSJNSJNPTZPLZ-UHFFFAOYSA-N 452.510 2.227 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccccc3F)CC2)cc1 585203243 DPAVQZOLCKQDEA-UHFFFAOYSA-N 450.536 2.498 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864020896 HRPFNIVYRVZDQE-NRFANRHFSA-N 497.596 2.336 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028184 RHXYWUPLSGDQGR-JOCHJYFZSA-N 475.549 2.369 10 10 JECE CC(=O)Nc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867644203 DEYWPEULJQUVRS-DQEYMECFSA-N 495.624 2.145 10 10 JECE O=C(Nc1c(I)ncnc1I)c1ccc(O)c(O)c1 2121028741 BZGIROMVMIVASQ-UHFFFAOYSA-N 483.003 2.349 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296706723 LTYNPCKLJDQZGU-KBPBESRZSA-N 488.591 2.292 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCCOCCO)nc12 33619584 TZKNUUYKIYUZOI-SFQUDFHCSA-N 486.575 2.418 10 10 JECE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NCC2CC2)cc1 43253839 KGJXGPHFRBUKBD-ZRBLBEILSA-N 454.571 2.253 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864018762 CFEFPCFWVCLCRI-GLQBQVMDSA-N 480.565 2.288 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864017542 OOUSDLBEYUNCLY-BFUOFWGJSA-N 480.521 2.181 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1864022131 UHAXQFHUTRNWMA-LJQANCHMSA-N 457.575 2.419 10 10 JECE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2 2297056987 DPMFWPHVOKIIKI-UHFFFAOYSA-N 491.241 2.276 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)CC1 1595946321 YSOFDGCCSIKHHL-FQEVSTJZSA-N 488.658 2.050 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(=O)n(Cc4ccccc4)c3)CC2)cc1 1861987319 JSKKWZGUQPJSEG-HXUWFJFHSA-N 474.561 2.372 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867842421 DLBXOZJQGVXCKP-PKTZIBPZSA-N 456.562 2.326 10 10 JECE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2180455011 DVIDLXQQMIOLPE-MSOLQXFVSA-N 474.510 2.320 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 2313548123 MGMJGZOSIFUWLA-UHFFFAOYSA-N 466.450 2.497 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)N(C)C)cc1 12026787 WDFBPGPAFZDNPQ-OAQYLSRUSA-N 472.611 2.488 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 1615103652 AZERALNMPAHJQG-AZGAKELHSA-N 456.583 2.212 10 10 JECE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)CC1 1705647513 FXTYHYZDMLSJMA-QGZVFWFLSA-N 460.629 2.387 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 1862160944 PWLMSFJXDAUQCJ-FPOVZHCZSA-N 464.566 2.070 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010909 BSNXMFLDGYEGAE-IBGZPJMESA-N 470.913 2.108 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccn(CC)n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254293774 LWOAWPMKOBRPRI-OAQYLSRUSA-N 465.579 2.081 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011149 QRWGVSJQICWVOF-SZNDQCEHSA-N 494.548 2.436 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026265 LEYCCODVXKATKE-HXUWFJFHSA-N 482.924 2.202 10 10 JECE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865026902 SSBZGNCXAZZXHN-IBGZPJMESA-N 470.526 2.119 10 10 JECE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)C1 1865027413 XTQHLVGHSJFFRY-DNVCBOLYSA-N 470.526 2.119 10 10 JECE CCN(C(=O)CCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296885473 WJMKXRNWCWFKII-OAHLLOKOSA-N 468.622 2.322 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 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COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccc(OC)c(OC)c4)[nH]3)CC2)cc1 1858526375 PQPWXEIDZZRRGS-UHFFFAOYSA-N 479.537 2.058 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H]1COc3ccccc3O1)[C@H]2c1ccc(O)c(O)c1 1864009644 JIWAOSMJBVNZNG-VFNWGFHPSA-N 478.505 2.273 10 10 JECE Cc1cc(/C=C\C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96879271 CRDYUWBTZJAJKN-BAQGIRSFSA-N 450.539 2.259 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cc(F)c(F)c(F)c4)C3)CC2)cc1 1615104516 GCUQXTUUDVHNJQ-RCZVLFRGSA-N 496.526 2.321 10 10 JECE COc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867389217 ZCWMXASVOXFEDP-ZEQRLZLVSA-N 468.598 2.195 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515880 KFBLJNQQDGRNKJ-MRXNPFEDSA-N 453.522 2.304 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCn3ccnc3)cc1C2=O 1873880278 SXNADMVLYRYQAA-UHFFFAOYSA-N 475.457 2.329 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2040501140 XNKPMLCSYDSCQQ-MRXNPFEDSA-N 485.635 2.217 10 10 JECE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc(S(N)(=O)=O)cc1 2313682056 UIPORYFYEORGDY-UHFFFAOYSA-N 499.574 2.273 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 22753251 XOSGGNAIFGQRDG-HAVVHWLPSA-N 494.527 2.317 10 10 JECE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c(=O)n(C)cnc34)CC2)cc1 64998403 RAWRWHXXMWJZPS-UHFFFAOYSA-N 462.485 2.229 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017677 RJRMKDXETHWEJJ-ZUOKHONESA-N 480.521 2.046 10 10 JECE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N(CCO)CCO)cc1 2297511353 DTXDRCVVDKOKPD-UHFFFAOYSA-N 478.958 2.034 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 33334150 YXJILTLZWITXPD-MHWRWJLKSA-N 460.874 2.379 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4CCNC4=O)ccc3Cl)cc2)CC1 1447713626 QRTLDEXBVUYNMJ-UHFFFAOYSA-N 455.946 2.468 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017608 QAMROWWTUJHEQP-FQEVSTJZSA-N 464.522 2.348 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026032 IJGRDWMQEWQERN-JOCHJYFZSA-N 494.523 2.468 10 10 JECE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2313548549 YCIIIDJDYGTDMA-UHFFFAOYSA-N 450.451 2.136 10 10 JECE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 2323831193 BTVFXFMCQZERFR-CQSZACIVSA-N 466.537 2.063 10 10 JECE COc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)cc1 8588282 YILFSQQKTYXXMV-UHFFFAOYSA-N 452.536 2.345 10 10 JECE CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 504301130 NZWAHZQUPJZOFJ-CDNOPDGFSA-N 453.470 2.000 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286839774 YFXOMKOXUZNYEW-UHFFFAOYSA-N 459.570 2.117 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1 1662777175 KXBWRVDADHRXJT-UHFFFAOYSA-N 452.920 2.395 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)cc1 742916436 IAHDVXKODTZKKS-SANMLTNESA-N 487.604 2.370 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864008156 DOZXUJCERFOAKB-NRFANRHFSA-N 464.522 2.153 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865025846 FBSKESFDZCFVFH-NRFANRHFSA-N 478.505 2.308 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1865026707 REEROHWMGNKWRR-QGZVFWFLSA-N 473.530 2.040 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865035174 NDUPZAJXGOQEBK-BTYIYWSLSA-N 491.548 2.166 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867842419 DLBXOZJQGVXCKP-DHIUTWEWSA-N 456.562 2.326 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868816131 GDMOQUDDSITFGL-QHCPKHFHSA-N 454.546 2.264 10 10 JECE CCCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548653 DNZOELIOCBIFRY-UHFFFAOYSA-N 452.559 2.241 10 10 JECE CCN(CC)CCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873566115 IDVRXWCVPSYJIT-UHFFFAOYSA-N 465.602 2.375 10 10 JECE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33436383 ZLBSYGLDHNFFTF-QAEAHILHSA-N 472.592 2.220 10 10 JECE CC(=O)O[C@H]1[C@@H](CN=[N+]=[N-])O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817438 BLXLRJMPROSYSS-IYKVGLELSA-N 475.669 2.181 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@H]2c1ccc(O)c(O)c1 1864020917 IFIQIJOCKKBEJV-SFHVURJKSA-N 452.515 2.043 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867842420 DLBXOZJQGVXCKP-GOTSBHOMSA-N 456.562 2.326 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647702 HGJDCVUWMNGARE-MRXNPFEDSA-N 469.977 2.240 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccccc3OC)CC2)cc1 1872676774 WKNPAYDWDJSFLY-UHFFFAOYSA-N 467.482 2.067 10 10 JECE CC(C)(C)OC(=O)NC1CCN(c2cccc3c2C(=O)[C@@H]([C@@H]2CCC(=O)NC2=O)C3=O)CC1 1887521615 BSOIYJWQMROABK-KXBFYZLASA-N 455.511 2.228 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 33621908 XNKPMLCSYDSCQQ-KXGFGANYSA-N 485.635 2.217 10 10 JECE COc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40319920 SZZCYISJFTYFHY-YADHBBJMSA-N 476.595 2.003 10 10 JECE COc1ccc(CNC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 585203267 HLLZGSLZSIPDAS-UHFFFAOYSA-N 476.599 2.045 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053511371 QEGNLOFZSZBXLJ-GASCZTMLSA-N 474.608 2.464 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864014613 ZFINIGIZJQOHPH-HXUWFJFHSA-N 483.569 2.090 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865027374 HXSFCKJMEFSNLH-JOCHJYFZSA-N 492.532 2.367 10 10 JECE COc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1 1865027772 KWKLPZMKBYXNDI-JOCHJYFZSA-N 491.548 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)cc1 9229046 IOGHTBHOPXQEFY-UHFFFAOYSA-N 483.590 2.043 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 11027508 GXSWCJUFCMYNEH-UHFFFAOYSA-N 483.590 2.495 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1 1567592245 RHSQVMIWQWWBJG-UHFFFAOYSA-N 456.930 2.050 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864008699 QANLLZFRAXGDGE-NSPYISDASA-N 470.913 2.437 10 10 JECE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)C1 1865035675 YXGWJKZBMVHYQM-DNVCBOLYSA-N 484.553 2.373 10 10 JECE CSc1ncc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cn1 1182878 OROGAYNUYVIIBA-WUXMJOGZSA-N 466.260 2.470 10 10 JECE CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 15056094 KCSHIKJTANEZKW-YVLHZVERSA-N 493.588 2.239 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33811940 XJZGMVRKIHQPNU-YBEGLDIGSA-N 460.581 2.478 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(F)cc(F)c4)C3)CC2)cc1 1615106933 URPHAGLWYJCGPW-UKILVPOCSA-N 478.536 2.181 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864017397 LEMNEPMIFRSBDH-LJQANCHMSA-N 480.521 2.183 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)OC3CCCCC3)CC2)cc1 1872639908 OPVJRBQMXDOSIX-UHFFFAOYSA-N 458.515 2.224 10 10 JECE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(C(=O)c3ccco3)CC1)c2NCCO 20108097 ZOVGZGILQLQOPC-UHFFFAOYSA-N 473.485 2.057 10 10 JECE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 96460957 UQZWBKOBCDYBPS-RTKKHHDGSA-N 490.972 2.078 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)CC2)cc1 742926847 CCUAKANPJNQXHS-IBGZPJMESA-N 452.555 2.138 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1722749541 RYMOYOHIFRELJM-HXUWFJFHSA-N 467.618 2.152 10 10 JECE CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181980 KCKOAHFPYQONOH-KNQAVFIVSA-N 458.603 2.276 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864008701 QANLLZFRAXGDGE-WYRIXSBYSA-N 470.913 2.437 10 10 JECE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032468 CVELXNMALZYEEB-IBGZPJMESA-N 482.924 2.397 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871599203 BYPIWCZTHHJGLT-UHFFFAOYSA-N 471.569 2.172 10 10 JECE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2314836353 DKMUUDGYYLZXSO-NSHDSACASA-N 493.588 2.277 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017801 VKRUGKBBMUBUHX-XOBRGWDASA-N 464.522 2.346 10 10 JECE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871668443 QHPIFOWBHCPQMV-UHFFFAOYSA-N 479.585 2.251 10 10 JECE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1760623108 QTBNXWYDMAJRHU-UHFFFAOYSA-N 483.661 2.114 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)CCc4ccccc4)C3)CC2)cc1 1858414673 SRLAVYCJPWPXIU-NRFANRHFSA-N 457.596 2.238 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)CCO)[C@@H]2c1ccc(O)c(O)c1 1865031998 SSYZISINAYDELD-GOSISDBHSA-N 450.495 2.127 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCNC=O)c4ccccc34)[C@@H]21 1873850888 JNZHYMXGHQJRFZ-RUZDIDTESA-N 459.550 2.431 10 10 JECE CSc1ncc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cn1 2297346947 OROGAYNUYVIIBA-UHFFFAOYSA-N 466.260 2.470 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2)CC1 1466883062 WWCPBWUXCIDFBK-JOCHJYFZSA-N 451.483 2.073 10 10 JECE CC[C@@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861990734 XCDOBVFTNKJGES-JOCHJYFZSA-N 454.571 2.370 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296147232 NRJCWSNIFQXTOM-IBGZPJMESA-N 450.426 2.148 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(Br)cc3)CC2)cc1 20604428 ORVIGAAJKYAWSN-UHFFFAOYSA-N 482.400 2.340 10 10 JECE COc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892867 UMUITEROHVNLKM-UHFFFAOYSA-N 450.513 2.012 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccccc21 1076221424 OYWBHZFPCVDCEA-ZQZZXFAYSA-N 487.487 2.400 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864023461 ZIXAFDVSCPNMGX-BXUZGUMPSA-N 468.432 2.323 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314828988 XWDJMFWPFWKRNX-UHFFFAOYSA-N 478.533 2.082 10 10 JECE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323800828 VAUQMSWKZDBENA-MRVPVSSYSA-N 465.734 2.338 10 10 JECE CC(=O)OC[C@@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 203233396 NXSDPOSAOAWHFZ-RNWYCLNJSA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)CCc4ccccc4)C3)CC2)cc1 1858414674 SRLAVYCJPWPXIU-OAQYLSRUSA-N 457.596 2.238 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCN1CCCC1=O)[C@@H]2c1ccc(O)c(O)c1 1864022473 XNMVNVDOHFWXBP-HXUWFJFHSA-N 483.569 2.090 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865029632 RVOGQEIGWOKEFS-FQEVSTJZSA-N 472.542 2.365 10 10 JECE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1 1866614731 KGAHLHRZKYRPSF-JOCHJYFZSA-N 497.507 2.318 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cccc(C)c3)CC2)cc1 1872634213 NZQHPOWOHOZPIX-UHFFFAOYSA-N 465.510 2.295 10 10 JECE COc1ccc(N2CCN(C(=O)CCn3nc(C(=O)N4CCc5ccccc54)ccc3=O)CC2)cc1 64891713 IWJQAYQUORBNEO-UHFFFAOYSA-N 487.560 2.194 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(Oc4cnccn4)c3)CC2)cc1 743431963 ARZCCPLSJXQWKX-UHFFFAOYSA-N 476.537 2.154 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)C1 1301643257 CXAJOFJOEPKMIZ-KRWDZBQOSA-N 477.660 2.458 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)CC1 1595946322 YSOFDGCCSIKHHL-HXUWFJFHSA-N 488.658 2.050 10 10 JECE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1705642355 QLKIUKQGYMEDDD-UHFFFAOYSA-N 450.566 2.148 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864008271 HCCBUPFHIZGSIQ-OAQYLSRUSA-N 463.538 2.023 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCCC(=O)O 2314932908 PVSVDMYPQFHDTF-UHFFFAOYSA-N 459.505 2.490 10 10 JECE COCc1nn(-c2ccccc2)c(O)c1/C=C1/NC(=O)N(CC(=O)OCc2ccccc2)C1=O 1082769393 IMBOFHJIDZJNCD-XDHOZWIPSA-N 462.462 2.360 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H]4[C@H](CCCCN4S(C)(=O)=O)C3)CC2)cc1 1615111706 JTJJXMJNMSLHQW-KNQAVFIVSA-N 451.633 2.163 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864008966 VXJKBBDFRSGVGV-WLRWDXFRSA-N 470.913 2.437 10 10 JECE CCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870509868 XNFZIXLFWKQZBV-UHFFFAOYSA-N 456.587 2.493 10 10 JECE COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 2296938643 GLJKQQICXASCKT-UHFFFAOYSA-N 455.467 2.338 10 10 JECE COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1nccs1 211194824 CCATULCCDLMNDD-NTUHNPAUSA-N 465.534 2.455 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030431 JRGGRPZGSPRFLW-OAQYLSRUSA-N 490.564 2.100 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865032011 SWBQEDAOBOUCHE-HXUWFJFHSA-N 475.549 2.450 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)CC2)cc1 1868937704 FTSYGWBBCVXXDR-UHFFFAOYSA-N 481.528 2.322 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 2296975669 XOSGGNAIFGQRDG-UHFFFAOYSA-N 494.527 2.317 10 10 JECE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)cc1OC 2314833614 UTUABMGIDOBARX-CYBMUJFWSA-N 478.548 2.287 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(NC(=O)C(C)C)c3)CC2)cc1 743431966 AUKIPCBLCLJIFA-UHFFFAOYSA-N 467.570 2.167 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N=[S@](C)(=O)C3CCCCC3)cc2)CC1 1622026885 RDCNNONYKIMOKP-GDLZYMKVSA-N 456.634 2.120 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019046 UVBHIBYVSGQSRI-XCLFUZPHSA-N 482.512 2.236 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)n(C)c(=O)n4C)CC2)cc1 64976640 HBMRNYGQOULACZ-UHFFFAOYSA-N 450.948 2.050 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 1862069436 QNCMMHGHOSOKQU-UHFFFAOYSA-N 459.550 2.448 10 10 JECE Cc1ccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)cc1 1865027831 MBMOZOLFYIOJJF-QHCPKHFHSA-N 489.576 2.487 10 10 JECE CCCCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552921 ZIZUKGLHHMEIPY-UHFFFAOYSA-N 464.570 2.383 10 10 JECE CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570626 BGDFCQISDWTYIY-UHFFFAOYSA-N 465.602 2.468 10 10 JECE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865028356 SLLROBQPZXNTBF-IBGZPJMESA-N 458.515 2.026 10 10 JECE CC(=O)NCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166659 VEMZVDZBCKPFPU-OAQYLSRUSA-N 450.539 2.079 10 10 JECE CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870570445 DJNDFYZJDKRQTL-UHFFFAOYSA-N 498.609 2.376 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc1 2297307465 JFDJMLCOXWQSMX-UHFFFAOYSA-N 487.335 2.349 10 10 JECE O=C(O)CN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 101514229 OCNASMMCFDPHQT-VGVSSDJJSA-N 482.543 2.126 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CCN1 106264517 KVRHBVLYJQSQMI-KSJZQUJJSA-N 464.610 2.446 10 10 JECE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1760602667 MJRGZKDQJURENQ-YADARESESA-N 453.635 2.388 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864008262 GUJZBBKOSHHGHG-NRFANRHFSA-N 464.522 2.498 10 10 JECE O=C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868162540 JYOZXWKRWJGBBP-UHFFFAOYSA-N 487.434 2.318 10 10 JECE CCCCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040498751 OKDDJYOURDAMCF-UHFFFAOYSA-N 487.651 2.119 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](C(=O)O)([C@H](C)O)[C@@H]2C1=O 253383302 LCOWBDFHGABZJT-SSBVRNDGSA-N 482.533 2.180 10 10 JECE CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc21 1469417150 WBPYUEJQMDMATK-OAQYLSRUSA-N 456.568 2.219 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864019205 HXDUFZXTJLGSMB-FQEVSTJZSA-N 464.522 2.456 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCCCCCO)CC2)cc1 1870369443 AJMUPIZFTMNYAP-UHFFFAOYSA-N 459.587 2.103 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CC1 1359354634 UBKJYFMUTPCQEK-UHFFFAOYSA-N 477.660 2.487 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCCOCCO)nc12 2040499012 RYLMJOYSPRLRKN-UHFFFAOYSA-N 462.597 2.281 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(C)CC3)nc12 2053493315 OBFGDSPJHFKSMP-MRXNPFEDSA-N 485.635 2.135 10 10 JECE Cc1nn2c(=O)cc(COc3ccc(C=C4C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 2297350728 HEVDRGAGZRXLHI-UHFFFAOYSA-N 459.487 2.500 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C\c4ccccc4)SC3=S)C2=O)cc1 1772759289 HISSPCQBPDQINV-ZJPWPMHWSA-N 499.595 2.424 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871580055 HHWBLCWFDOUSEA-KRWDZBQOSA-N 467.549 2.034 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602641 YRTJFOCJRNAJMJ-UHFFFAOYSA-N 463.586 2.205 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210722789 JRFMXKYBTOWNNN-LICLKQGHSA-N 493.588 2.365 10 10 JECE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc21 1664322181 AICAPQBEWARQMV-UHFFFAOYSA-N 451.495 2.189 10 10 JECE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871709612 MLOYAYJJWUSUJY-UHFFFAOYSA-N 477.569 2.387 10 10 JECE COCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642574 IJTLNPBVTKAXNW-QHCPKHFHSA-N 450.539 2.199 10 10 JECE CN(C)c1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br 20207836 WPBDKGXUUWMAMH-VFXUPEKQSA-N 456.347 2.136 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 59383158 MSZWCTUAARFOJW-OWBHPGMISA-N 499.476 2.477 10 10 JECE CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1F 731407088 PZXMIGKBRQWKJG-QGZVFWFLSA-N 463.531 2.099 10 10 JECE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(Br)c2O)cc1 1297441329 TWCPEYXQJBQVSL-UHFFFAOYSA-N 455.330 2.342 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017012 CHONUIYXHJEPON-IBGZPJMESA-N 450.495 2.039 10 10 JECE Cc1ccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)cc1 1865027830 MBMOZOLFYIOJJF-HSZRJFAPSA-N 489.576 2.487 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CCC(N)=O)Cc1ccccc1 2136260154 AEBSROAUUSTATC-SFHVURJKSA-N 457.527 2.438 10 10 JECE CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC)C2=O)CC1 33339911 VOFXLYCWDKKHAB-FYWRMAATSA-N 473.580 2.194 10 10 JECE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 102900787 GCKIKDDQUIDULO-DWKHYPNZSA-N 460.581 2.441 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2 1865030215 FWDLSQWCIDWLEM-LJQANCHMSA-N 472.542 2.373 10 10 JECE COc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307560 BYWNXMLUBRXTNS-XZOQPEGZSA-N 498.624 2.204 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3C[C@@H](C)O)CC2)cc1 1870425670 RWIDCOPSYMRICA-HXUWFJFHSA-N 487.597 2.138 10 10 JECE O=C(O)CN1C(=O)/C(=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c2ccccc21 39861771 KLZAVRAISRROIC-NXVVXOECSA-N 484.467 2.290 10 10 JECE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2nnc(O)c3ccccc23)C1=O 229735508 CHYVMTFSXKCKMD-OQLLNIDSSA-N 482.499 2.345 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNCc1cc(Cl)cc(Br)c1O 2225622738 LIVDCRHNGLQZGH-VNHYZAJKSA-N 451.745 2.239 10 10 JECE CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 728878007 VMECBXFZUJVZNF-UHFFFAOYSA-N 452.536 2.339 10 10 JECE CCOC(=O)COc1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 920255640 GLVAKDJBHSMVSP-QXMHVHEDSA-N 467.522 2.481 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)cc2)CC1 1622026886 RDCNNONYKIMOKP-LJAQVGFWSA-N 456.634 2.120 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(=O)n(C)c3)CC2)cc1 1861981826 BZSYLJTZLGDQKW-DEOSSOPVSA-N 492.551 2.223 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864007560 PIYQRETTXYEGTR-FQEVSTJZSA-N 450.495 2.439 10 10 JECE CC[C@H](C)N1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498913 QEAIRQATOKTVNI-AWEZNQCLSA-N 462.597 2.423 10 10 JECE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498916 QEAIRQATOKTVNI-CQSZACIVSA-N 462.597 2.423 10 10 JECE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)cc1 56966097 OBUYMDDIMWXGPV-UHFFFAOYSA-N 460.600 2.390 10 10 JECE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029572 QMVDFWYSWHUPNR-NRFANRHFSA-N 476.533 2.442 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170074 NHLQINXGJMMYKY-QHCPKHFHSA-N 478.593 2.275 10 10 JECE COCCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)(c2ccccc2OC)C1=O 11966156 MUXDPZVXARXHPK-MHZLTWQESA-N 495.576 2.086 10 10 JECE COCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040498159 DKAAFBPMMFXNSL-UHFFFAOYSA-N 462.622 2.485 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)O)N[C@H]2c1ccccc1O 253382636 ITIZNIKJFPSMJU-DEPRHZGXSA-N 452.507 2.171 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H]4[C@H](CCCCN4S(C)(=O)=O)C3)CC2)cc1 1615111704 JTJJXMJNMSLHQW-DENIHFKCSA-N 451.633 2.163 10 10 JECE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010353 LDQNCVAJWRMENU-HXUWFJFHSA-N 464.522 2.348 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865027039 DJWMMIFVPGOXQK-OAQYLSRUSA-N 464.522 2.436 10 10 JECE CC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066620 YDKOFGIPNFHUAW-OWWUNANSSA-N 485.673 2.045 10 10 JECE CC(=O)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 2294850867 NLJAIOVVPASBQJ-UHFFFAOYSA-N 455.311 2.388 10 10 JECE Nc1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 31501803 UTIKAJTYMVORHO-XMMPIXPASA-N 494.617 2.440 10 10 JECE CCn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C\c4ccc(F)cc4)S3)CC2)c(C)n1 95546695 SNOCMOSHYXBJSE-SFQUDFHCSA-N 463.560 2.327 10 10 JECE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC(=O)O)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl 102516729 IGFDILJWXITXRZ-CMCWBKRRSA-N 485.924 2.463 10 10 JECE CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 103775371 WJSVCFHFAAOHLG-SUWCGCSTSA-N 471.491 2.327 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012156 SQYKMOSGPJJPGX-FKIZINRSSA-N 484.940 2.496 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865027443 YIWOCZJZSLNSPE-LKBUQDJMSA-N 477.521 2.317 10 10 JECE C[C@H](O)Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cccc(O)c1C3=O)[C@@H](O)C2 725430783 CSXRQTQEHPUEGX-FVMDXXJSSA-N 476.437 2.457 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862242699 WNKYNELLELPLFJ-QHCPKHFHSA-N 475.549 2.189 10 10 JECE COc1ccccc1N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865026824 BDHXVINOROUFND-JOCHJYFZSA-N 491.548 2.192 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865028355 SLBDRFXFVNJKDD-HXUWFJFHSA-N 497.939 2.274 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NCc4ccco4)cc3)CC2)cc1 1872725899 CSCJFQQZYJNAMJ-UHFFFAOYSA-N 485.562 2.494 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=S)N(c2cccc(OC)c2)C1=O 2376324 KKNRFTSTJZYYKP-LVSKKATPSA-N 478.530 2.182 10 10 JECE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1O 9265491 XXUFZRPLKQTTPE-WZUFQYTHSA-N 465.203 2.067 10 10 JECE Cn1cnc2c1c(=O)n(CC(=O)N[C@H](c1ccccc1)c1c(O)ccc3ccccc13)c(=O)n2C 10909850 VUYWRCIOUBNABY-JOCHJYFZSA-N 469.501 2.198 10 10 JECE COc1ccc(N2CCN(C(=O)CSc3cc(-n4ccc(C(=O)NC5CC5)n4)ncn3)CC2)cc1 67225654 PXQOTCYYOLXLFE-UHFFFAOYSA-N 493.593 2.004 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NN2CCN(C)CC2)cc1 205963570 DZSBEQDKAKLUFC-LTGZKZEYSA-N 450.499 2.380 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CNC(C)=O)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970837 RJRCNHGAFFRQBD-UHFFFAOYSA-N 483.960 2.331 10 10 JECE CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870363493 VUDMUPGMSDVBMB-UHFFFAOYSA-N 470.614 2.300 10 10 JECE CN(C)c1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br 2297346016 WPBDKGXUUWMAMH-UHFFFAOYSA-N 456.347 2.136 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NN2CCN(C)CC2)cc1 2313682519 DZSBEQDKAKLUFC-UHFFFAOYSA-N 450.499 2.380 10 10 JECE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731407244 UCSCKEYPRVGZAV-NRFANRHFSA-N 471.579 2.494 10 10 JECE CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)ccc21 731407791 ZLFQQZQELZTZIR-FQEVSTJZSA-N 471.579 2.277 10 10 JECE COc1cc(C=C2SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 2314831537 NAIWRZCZWYKBNY-UHFFFAOYSA-N 468.553 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)C(C)(C)CS4(=O)=O)c3)CC2)cc1 12026972 MYGHTYSDODOLFZ-UHFFFAOYSA-N 457.552 2.360 10 10 JECE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008036 AOQHQGCLCPLVEH-FQEVSTJZSA-N 466.494 2.038 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865029102 FYRPJENORQAWDV-FQEVSTJZSA-N 474.558 2.075 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865033731 HDQVMCIIJUGJHI-IUODEOHRSA-N 482.459 2.308 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871546259 MROIZZYHKXRGIV-UHFFFAOYSA-N 480.592 2.297 10 10 JECE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)C(=O)NC2=S)cc1 2294229084 PRRMVKBOOKJVGR-UHFFFAOYSA-N 456.476 2.389 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 102994656 RQXGDKVVTJMJNG-FCNRDGCESA-N 496.570 2.434 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 575338650 NUCMFNFBECGZSA-WFMNFSIZSA-N 489.437 2.311 10 10 JECE in-vitro CC(=O)O[C@H]1[C@H](CN=[N+]=[N-])O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817439 BLXLRJMPROSYSS-PREPNJAASA-N 475.669 2.181 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865030516 LNLQQZXVFROFFM-IBGZPJMESA-N 458.559 2.438 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4nsnc34)CC2)cc1 9694107 YUZFEGHYTAPXGH-IBGZPJMESA-N 487.607 2.202 10 10 JECE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728860437 SCDSRFYFTMRRSK-QFIPXVFZSA-N 490.601 2.201 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864016652 UULNMXOWAMLNCL-APWZRJJASA-N 462.506 2.488 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](COCc1ccccc1)C(=O)O 2180242463 PEKAEUUFPXKPER-ZWKOTPCHSA-N 474.510 2.320 10 10 JECE Cc1ccc(N2C(=O)C(=CN3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)cc1Cl 2297559016 BPNPTQWJFNPCRY-UHFFFAOYSA-N 458.927 2.331 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15047655 LUVQWSMJQRNZHZ-FFCYNSPCSA-N 463.562 2.268 10 10 JECE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)NC1=S 254576791 CKOCPQGKAYYPCL-QNGOZBTKSA-N 468.579 2.204 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 742926871 DAWVRKBPMDPVHG-UHFFFAOYSA-N 463.582 2.350 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013066 PKAZPPLLYOARCE-FQEVSTJZSA-N 464.522 2.098 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)c3ccccc3)CC2)cc1 1862185724 JUDJQTAYKDSUOO-BWKNWUBXSA-N 478.593 2.458 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2 1865030214 FWDLSQWCIDWLEM-IBGZPJMESA-N 472.542 2.373 10 10 JECE CC(=O)Oc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301620 FLIMEFXBGFTUQQ-JWQCQUIFSA-N 496.608 2.112 10 10 JECE Cc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 2297350774 RINVHQFYKVPLHF-UHFFFAOYSA-N 451.493 2.287 10 10 JECE COc1ccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(O)cc2=O)cc1 1866268588 AXTYZDWKUHWHGB-JOCHJYFZSA-N 474.521 2.266 10 10 JECE CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 1858418339 PPOLHBADTXCQPB-IBGZPJMESA-N 473.595 2.453 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3CC(=O)N(C(C)C)C3)c3ccccc3)CC2)cc1 1862185727 JUDJQTAYKDSUOO-SQJMNOBHSA-N 478.593 2.458 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@H]2c1ccc(O)c(O)c1 1865032008 SVNADMCVMPJXBV-IBGZPJMESA-N 462.506 2.176 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871493623 VVFRBCZWRYWNCE-UHFFFAOYSA-N 469.977 2.160 10 10 JECE C[C@@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 19848673 RDAKYKIUVBXMMM-KSVNGYGVSA-N 461.268 2.154 10 10 JECE CCCc1c(CCC(=O)O)c(O)nc2c1C(=O)c1c([nH]c(=O)c(CCC(=O)O)c1CCC)C2=O 96346655 STQQCHXEGXOWGL-UHFFFAOYSA-N 470.478 2.190 10 10 JECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCCN2CCOCC2)cc1 104639093 VPNOOTVXBIAFRK-LTGZKZEYSA-N 451.483 2.160 10 10 JECE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1705622287 CYVZQYWOWNFWFK-VWLOTQADSA-N 453.587 2.447 10 10 JECE NC(=O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858590516 VAUQMSWKZDBENA-MNKHYIEKSA-N 465.734 2.338 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864008195 FLMQKDONLXTSNH-LJQANCHMSA-N 470.913 2.439 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864019977 SPZPHQKVHSGWNO-LJQANCHMSA-N 457.575 2.327 10 10 JECE COc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307559 BYWNXMLUBRXTNS-PKTZIBPZSA-N 498.624 2.204 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)CCN1 106263341 PHUQMTHZINJVDZ-NRFANRHFSA-N 462.575 2.342 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1Cc1ccccc1 504817746 IXPGAMUPYUVAMZ-FVXYUFHJSA-N 469.497 2.261 10 10 JECE biogenic CCCn1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862017526 VNBDPDKKUKTVQY-OAQYLSRUSA-N 470.595 2.131 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864008965 VXJKBBDFRSGVGV-NSPYISDASA-N 470.913 2.437 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864011099 ZEZJRICCQQZCAZ-HXUWFJFHSA-N 457.575 2.411 10 10 JECE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1 2297345907 MCGZSOCCRZUXBX-UHFFFAOYSA-N 458.477 2.354 10 10 JECE CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 15679432 BNEQNCUKCNWWBB-UHFFFAOYSA-N 470.614 2.051 10 10 JECE biogenic COC(=O)CCNC(=O)c1ccc(/N=N/c2cc(C(=O)NCCC(=O)OC)ccc2N)cc1 504242524 LXLGPLXSDARDFK-CYYJNZCTSA-N 455.471 2.270 10 10 JECE in-vitro CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(N4CCNC4=O)c3)cc2)CC1 1625192493 DOYSJEMSDYCNSB-UHFFFAOYSA-N 455.946 2.468 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008052 AUDKUSUBXQYYDL-FQEVSTJZSA-N 497.939 2.192 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011629 JMYIYMQDABRRFM-NRFANRHFSA-N 481.528 2.163 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864022243 KXKVJKIJZHCRLQ-YGRLFVJLSA-N 470.448 2.161 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@H]2CCCO2)=C(N)O3)cc1 1864022552 OMTRUANNKLEXHD-XLIONFOSSA-N 492.532 2.497 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)NCc3ccccc3Cl)CC2)cc1 1872629164 DAFYVLDDJUCLJB-UHFFFAOYSA-N 499.955 2.318 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCN(C)C)C2=O)cc1 1873169754 UOPKTNWOQKKGQL-UHFFFAOYSA-N 479.625 2.048 10 10 JECE Cc1cc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C)n1-c1ccccc1 11085611 PFXFOFHYIYYCOJ-UHFFFAOYSA-N 470.595 2.426 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33571882 FDAJGGAAYXJVGT-MLDYKZIASA-N 471.608 2.396 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccn(Cc4ccccc4)c3=O)CC2)cc1 1862023446 YJPNJIBMDWCSCQ-HXUWFJFHSA-N 474.561 2.372 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011414 UINAUCOIRCFTPI-VBKZILBWSA-N 464.522 2.428 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)cc2)CCN1 107798217 MUZXCJWDKYFBKE-SFHVURJKSA-N 474.483 2.307 10 10 JECE CCCCN(CC)C[C@@H]1C(=O)N(C(=O)c2ccccc2S(N)(=O)=O)N=C1c1ccccc1O 248234908 MEWUVHBVRUHDIW-SFHVURJKSA-N 472.567 2.165 10 10 JECE COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](C=CCO2)C1 958317609 JTPVTDJVYHOKKG-IPJJNNNSSA-N 457.571 2.279 10 10 JECE Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]31)C(=O)N2 1565532413 ZLTOLWCUPRACIL-VNWDASSNSA-N 461.518 2.312 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccn(C)c3=O)CC2)cc1 1862023273 UHRALMNPWLSKCD-DEOSSOPVSA-N 474.561 2.084 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016431 PAYMWMJCJHQCEV-SFHVURJKSA-N 450.495 2.346 10 10 JECE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(c4nc5cccnc5s4)CC3)CC2)cc1 64955520 MOVAZUDVHLFIKD-UHFFFAOYSA-N 494.621 2.478 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864019260 XJGZUKLSWGXXFJ-FQEVSTJZSA-N 482.512 2.237 10 10 JECE COc1ccccc1NCCC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890961 HGUMGSVHBLEAGS-OAQYLSRUSA-N 487.512 2.388 10 10 JECE COc1cc(OC)cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396036 KZWBHIPMDPHDIY-JWQCQUIFSA-N 498.624 2.204 10 10 JECE CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868776435 JVEBNQPQHPFMSA-FQEVSTJZSA-N 460.481 2.156 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600006 MCYHCORKBIZJRV-UHFFFAOYSA-N 463.586 2.369 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NCCCO)[nH]c4c3)CC2)cc1 1872825215 RLYUTQASLXDMJS-UHFFFAOYSA-N 483.594 2.125 10 10 JECE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 2297362305 JOYFDIFFXWCURN-UHFFFAOYSA-N 490.222 2.487 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2314832448 HISSPCQBPDQINV-KRWDZBQOSA-N 499.595 2.424 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864018056 BRHHTLCTIWBBOT-IBGZPJMESA-N 457.575 2.419 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026338 MDFIGHFNQRXLPN-JOCHJYFZSA-N 494.523 2.468 10 10 JECE CN(C)c1ccc([C@@H](NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)c2nccn2C)cc1 1866268053 DYLJNESVVSCUCW-OAQYLSRUSA-N 462.485 2.396 10 10 JECE COc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)n2)cc1 1868617037 SXUJVWOOIPBRCX-KRWDZBQOSA-N 491.548 2.334 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3c(F)cccc3Cl)CC2)cc1 8611385 CILRZRJSXPECLV-UHFFFAOYSA-N 455.939 2.370 10 10 JECE CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] 888087613 KNNPWJYJJZETEL-UHFFFAOYSA-N 479.571 2.145 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1 1864015863 XHILMMANGCQWSA-CQSZACIVSA-N 461.400 2.256 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989549 GBIWTJNUYAHNMH-DZZSIBQASA-N 460.581 2.478 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865032010 SWBQEDAOBOUCHE-FQEVSTJZSA-N 475.549 2.450 10 10 JECE COc1ccc(N2CCN(CCNc3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)cc1 742928021 HCWYNGOROXCNLB-UHFFFAOYSA-N 459.616 2.499 10 10 JECE COc1ccc(Cc2c(O)nc(=NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)[nH]c2C)cc1 1858532701 ILFQJEYBHRXXGL-UHFFFAOYSA-N 477.565 2.281 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 1862160943 PWLMSFJXDAUQCJ-CTNGQTDRSA-N 464.566 2.070 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865038981 ZRHAWCSPXABURT-MGPUTAFESA-N 470.570 2.438 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590578 HSANENUVGGIAHL-GOSISDBHSA-N 463.586 2.204 10 10 JECE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(O)c(O)c2)cc1[N+](=O)[O-] 64787618 NUSYGHNMXKYRKF-QFIPXVFZSA-N 478.461 2.453 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(I)c[nH]3)cc2)CC1 1447715187 VPJVKRAXAJFMKI-UHFFFAOYSA-N 452.296 2.218 10 10 JECE COc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867389216 ZCWMXASVOXFEDP-RPWUZVMVSA-N 468.598 2.195 10 10 JECE CCN(CC)C(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870629588 SGYOYJUGILSBPQ-UHFFFAOYSA-N 486.613 2.073 10 10 JECE CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1F 731407087 PZXMIGKBRQWKJG-KRWDZBQOSA-N 463.531 2.099 10 10 JECE O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)NCCc1ccc(O)c(O)c1 1860358006 CVANQPHWRNANFS-LJQANCHMSA-N 468.485 2.320 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)cc3O)CC2)cc1 1865054557 NALQTSMVAPFTAK-QFIPXVFZSA-N 491.548 2.192 10 10 JECE COc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)n2)cc1 1868617038 SXUJVWOOIPBRCX-QGZVFWFLSA-N 491.548 2.334 10 10 JECE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040498189 FDAJGGAAYXJVGT-CYBMUJFWSA-N 471.608 2.396 10 10 JECE Cc1ccc2nc(NCCCO)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2040499067 SSESJDVKDRUCQO-CQSZACIVSA-N 460.581 2.177 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 616625505 NXSDPOSAOAWHFZ-HTFCKZLJSA-N 475.669 2.181 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccccc21 1076221423 OYWBHZFPCVDCEA-KDKQAMIGSA-N 487.487 2.400 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865030248 GUVHBLFSONYJRW-NRFANRHFSA-N 491.548 2.309 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868038195 BNOUKOREXRYTAO-JOCHJYFZSA-N 478.549 2.390 10 10 JECE COc1ccc(N2CCN(C(=O)CN3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1 49389849 ACTCFRBZRPNQFI-UHFFFAOYSA-N 452.511 2.057 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028628 WVWLAYFYAKGOFG-IBGZPJMESA-N 470.913 2.391 10 10 JECE COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(C(=O)O)c1OC 210403448 GYWISDNTYPYGBX-UVTDQMKNSA-N 480.545 2.497 10 10 JECE Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]31)C(=O)N2 504783677 ZLTOLWCUPRACIL-IUVOSCESSA-N 461.518 2.312 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)cc2)CC1 1616252485 RKAISRSZNOFCFC-UHFFFAOYSA-N 451.502 2.293 10 10 JECE CC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868607178 USFZVRIUUUGLSP-NRFANRHFSA-N 453.539 2.253 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 33621909 XNKPMLCSYDSCQQ-WDMNMGCXSA-N 485.635 2.217 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026299 LWFXTBPXHCUUCQ-HXUWFJFHSA-N 455.559 2.260 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865034042 NVQVBSKXPZNIGM-AWEZNQCLSA-N 484.431 2.049 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2295979410 HFOUKGOEUXHDPB-GJZGRUSLSA-N 474.608 2.464 10 10 JECE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)C1 2314399753 DBBIWYBPZKLLJM-STQMWFEESA-N 458.565 2.463 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1076136271 OKOCAXPIBDFVIT-PPPPCMEOSA-N 465.481 2.143 10 10 JECE COc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1858957229 OKKHZBLJXQJBAO-UHFFFAOYSA-N 485.518 2.450 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865034955 IEEBWXDEAMRVCS-HXUWFJFHSA-N 469.586 2.371 10 10 JECE CN1C(=O)C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296727617 RFQUTIGBGNGVPM-SECBINFHSA-N 473.395 2.184 10 10 JECE CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)c(=O)[nH]2)C1 15001230 PTWNZLMQTQUCKL-HXUWFJFHSA-N 466.582 2.462 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccnc3)CC2)cc1 1862113387 UZVDVSRXMWNTPL-XMMPIXPASA-N 460.534 2.486 10 10 JECE C[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921752 GTHREQKTPOUPHL-GJZGRUSLSA-N 468.531 2.120 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3cccnc3)N(C)C)C(C)C)CC2)cc1 1869045167 UEHZEFKGWSREIA-XZOQPEGZSA-N 453.587 2.183 10 10 JECE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1749842147 XSIGYQXJRNARGO-UZUQRXQVSA-N 457.598 2.219 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 1872679438 FPLFGOIFBBNXFA-UHFFFAOYSA-N 491.504 2.106 10 10 JECE C[C@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836514 GGBGBCIGFMJJDW-MRVPVSSYSA-N 459.343 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)CCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 12527996 VKVBOROURRZSET-UHFFFAOYSA-N 453.543 2.464 10 10 JECE COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1 33436583 YYDSFEZNPMEIJL-KNTRCKAVSA-N 491.635 2.293 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)CC2)cc1 743286175 HQUDNDOHSCQRMA-UHFFFAOYSA-N 480.613 2.027 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083981473 VIOYVRIDZZMVTQ-FQEVSTJZSA-N 482.518 2.366 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864014881 FLLSIIQOHDAODM-CQSZACIVSA-N 461.400 2.256 10 10 JECE COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 20897057 CKPYZBKDNGOESR-UHFFFAOYSA-N 469.475 2.490 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)cc1 1318433525 CAWZKACXADUSRW-UHFFFAOYSA-N 480.657 2.064 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ncc(Br)cn4n3)cc2)CC1 1466881494 CRSCUJFNXAVRRC-UHFFFAOYSA-N 457.332 2.090 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862243901 UNRDIXRYFHQTFQ-HSZRJFAPSA-N 459.550 2.484 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864009729 COGVHBPNACYOPZ-OAQYLSRUSA-N 494.548 2.438 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865033333 XLPQSDIXPRZCEE-HXUWFJFHSA-N 464.522 2.381 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=O)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 2297639273 HOTPAPZVWJPUEF-QGZVFWFLSA-N 498.923 2.363 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn4cc(Br)cnc34)cc2)CC1 1638586785 AMXMGYKDWAKEAU-UHFFFAOYSA-N 457.332 2.090 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007130 GNBRGHMRSQVOFE-FQEVSTJZSA-N 497.939 2.192 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028614 XKVBOGPCFQXCPE-FQEVSTJZSA-N 450.495 2.127 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076136272 OKOCAXPIBDFVIT-XCAMGBOJSA-N 465.481 2.143 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864007949 XXHDSAWYLRWFSV-OAQYLSRUSA-N 463.538 2.354 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864008081 BGDDKDFAHIKJMA-SFHVURJKSA-N 456.886 2.048 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018725 BDHUVDHQBCOOMP-YCRPNKLZSA-N 478.549 2.405 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033399 YSJSPLCIDJVZBC-OAQYLSRUSA-N 492.532 2.408 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865027274 XFIGEABBFXPKMQ-NRFANRHFSA-N 493.520 2.093 10 10 JECE COc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307558 BYWNXMLUBRXTNS-GOTSBHOMSA-N 498.624 2.204 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 1868610067 RVASOKDCDQCQPF-VWLOTQADSA-N 467.566 2.499 10 10 JECE CON(CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2136262704 WZJSEVIPGQJISY-HNNXBMFYSA-N 469.535 2.448 10 10 JECE COc1ccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 2297510210 IPSRTEUZJDBFFI-UHFFFAOYSA-N 463.519 2.237 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)c(C)nc4ccccc43)CC2)cc1 33005242 QUQPFQVRYAFIMD-UHFFFAOYSA-N 463.582 2.432 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)c(C)n3C)CC2)cc1 64922704 YSNXCJXSBKQLPQ-UHFFFAOYSA-N 460.600 2.479 10 10 JECE COc1cc(N2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc(OC)c1OC 1857945063 QHWGKCKAQBZJHD-UHFFFAOYSA-N 459.465 2.162 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864011316 GOOZUVNHVXITIM-FQEVSTJZSA-N 468.485 2.247 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017500 NVGZMAXTGJAFMZ-ORAYPTAESA-N 450.495 2.038 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865030532 LSABIZLFUZWAPA-FQEVSTJZSA-N 477.521 2.184 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873167037 PPIXXUXCCDPNHM-UHFFFAOYSA-N 457.534 2.495 10 10 JECE COCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2053496692 HJWNBTFZVHNVSF-AWEZNQCLSA-N 460.581 2.441 10 10 JECE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1705630538 WRMDODGSDCGNEZ-UHFFFAOYSA-N 463.586 2.111 10 10 JECE Cc1ccccc1C(=O)N[C@@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867903466 KXFFXHJPYZBMMP-BJKOFHAPSA-N 452.599 2.495 10 10 JECE CCOC(=O)COc1ccc(C=C2SC(=S)N(N3CCN(C)CC3)C2=O)cc1OC 2314488649 LYGCXEYVFFGZCV-UHFFFAOYSA-N 451.570 2.001 10 10 JECE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 731188680 HXJXMZLFXIKCOX-DEOSSOPVSA-N 479.581 2.131 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 1663366202 WLZGBEYRTBHMBW-UHFFFAOYSA-N 452.920 2.395 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869970460 JUDIMQCWZCIUDR-HXUWFJFHSA-N 496.593 2.225 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N(C)CCO)n4CC(C)C)CC2)cc1 1873551030 XWIKVPZIYFHNPW-UHFFFAOYSA-N 466.586 2.487 10 10 JECE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1359396117 QVKSJRSFKKEHDD-UHFFFAOYSA-N 454.554 2.062 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)[C@H](C)C1 1760601743 DLVGYCUCFSZGKD-OAHLLOKOSA-N 463.633 2.210 10 10 JECE CCc1ccc(Nc2nc(=NCCOCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584917 GAUXUWSCGGETCI-UHFFFAOYSA-N 493.612 2.356 10 10 JECE O=C1CSC(=O)N1CCN1C(=O)C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O 2297478238 XATNORJPZLREBY-AWEZNQCLSA-N 487.584 2.267 10 10 JECE COc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c([N+](=O)[O-])c1 96475789 GEEZYLJQNNXLTF-CRKOOCFNSA-N 475.464 2.485 10 10 JECE CCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 102845038 XGQAHFVCRQBXEG-JQIJEIRASA-N 459.597 2.050 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCOCC2)=C(N)O3)cc1 1865033830 IQKOSWMAULROEB-IBGZPJMESA-N 478.505 2.060 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 1869007594 PJEUVABONRXGLQ-KRWDZBQOSA-N 464.566 2.416 10 10 JECE CN(C)c1ccc(C=CCN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 2297625152 BXAGFUIDJXGMCJ-UHFFFAOYSA-N 466.611 2.394 10 10 JECE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)CN3C(=O)c4ccccc4C3=O)C2=O)c1 62050056 IDLAUUANDDXBDT-LDADJPATSA-N 481.555 2.309 10 10 JECE COc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256038867 SZZCYISJFTYFHY-FCHUYYIVSA-N 476.595 2.003 10 10 JECE C[C@@H](O)Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cccc(O)c1C3=O)[C@@H](O)C2 725430782 CSXRQTQEHPUEGX-ABKXIKBNSA-N 476.437 2.457 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865027235 WNGMCRNKBWMJEW-QFIPXVFZSA-N 490.564 2.234 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018724 BDHUVDHQBCOOMP-VFNWGFHPSA-N 478.549 2.405 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871605527 RGRNPPWNBOOEKJ-UHFFFAOYSA-N 476.629 2.385 10 10 JECE CS(=O)(=O)c1cnn(Cc2ccc(Br)cc2O)c1I 2070258311 DARJNSTXBNKTEC-UHFFFAOYSA-N 457.087 2.408 10 10 JECE COc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 2314931929 JIPVTCMTGTZRKL-UHFFFAOYSA-N 480.545 2.253 10 10 JECE COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CSC[C@H]3C(=O)O)C2=O)cc1 33414101 RISNCOZLFRTGHL-IAOKNECISA-N 466.562 2.051 10 10 JECE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705662416 YFTLDPOYLLTOFQ-IBGZPJMESA-N 489.667 2.272 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)CC2)cc1 1862155180 WEYYUYYWWHKJBM-VZUCSPMQSA-N 467.522 2.107 10 10 JECE Cc1nc(C)c(CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866569561 KRQXLEJKPVDTBL-SFHVURJKSA-N 463.515 2.194 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 10069885 XLCCIVDFTHNAKW-UHFFFAOYSA-N 482.946 2.139 10 10 JECE COC(=O)c1c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)sc2c1CC[C@@H](C)C2 64980815 SUHORVWEEASXKD-RISCZKNCSA-N 451.570 2.318 10 10 JECE COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)N3CS[C@@H](C(=O)O)C3)C2=O)cc1 102413360 YBAXASPNRTWIPV-MAUPQMMJSA-N 466.562 2.051 10 10 JECE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(N)=NC3=O)c3ccccc32)cc1 206386757 DYJSUHHJBPLGDM-ZCXUNETKSA-N 450.476 2.148 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)CC1 1463515371 RJUHEPNPTPITDS-UHFFFAOYSA-N 456.568 2.108 10 10 JECE CNC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870566569 HPAKIFQDRXUIFZ-UHFFFAOYSA-N 476.577 2.352 10 10 JECE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314761711 XQVLOVMXJUZRIN-UHFFFAOYSA-N 494.591 2.087 10 10 JECE CCn1c(=O)c(N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)nc2cccnc21 33259417 LAFLHZKUNPKHTI-IBGZPJMESA-N 476.581 2.385 10 10 JECE CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)CC1 1596083775 BBGAZDZMLCFGQP-UHFFFAOYSA-N 451.622 2.114 10 10 JECE O=C(O)CNC(=O)CN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858595393 BBAHWDLIUAXYQW-XNWCZRBMSA-N 465.734 2.210 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011412 UINAUCOIRCFTPI-JLTOFOAXSA-N 464.522 2.428 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017221 ILMIHTLFBKOGPC-HXUWFJFHSA-N 493.564 2.362 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018851 SFORWMYRAIVJTO-HXUWFJFHSA-N 482.512 2.237 10 10 JECE NC1=C(C(=O)N2CC(O)C2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031321 DWTQLGWPHUJOLW-MRXNPFEDSA-N 488.422 2.200 10 10 JECE CC(=O)NCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167469 ITZSICYUWGGOJN-UHFFFAOYSA-N 465.598 2.242 10 10 JECE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(=O)O)C3=O)c3ccccc32)cc1 2296711299 KPQNRPKNLZCXLQ-UHFFFAOYSA-N 483.527 2.337 10 10 JECE NC(=O)CN1C(=O)C(=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 2296716948 KQESRAFXTKIQAN-UHFFFAOYSA-N 453.501 2.019 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 254842074 XKEPLSLKPBYNAE-QHCPKHFHSA-N 493.585 2.491 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CC1 1459055810 XYZDPJHGIKQHFU-UHFFFAOYSA-N 453.499 2.352 10 10 JECE CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016608 UBMOFKZXHNDPSU-IBGZPJMESA-N 463.538 2.261 10 10 JECE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865032370 AZODDCMMWUQJIW-IBGZPJMESA-N 472.542 2.280 10 10 JECE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)NC(=S)N(Cc2ccccc2)C1=O 2296946496 FJCPUGWXWSLYLD-UHFFFAOYSA-N 455.492 2.230 10 10 JECE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 2297362932 RBQNQJQTKKRYCK-UHFFFAOYSA-N 461.224 2.285 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc4nc5ccccc5c(=O)n4c3)CC2)cc1 58013917 KSSGAKMXHWELTQ-UHFFFAOYSA-N 457.534 2.408 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccccc3I)CC2)cc1 1861910378 AYXNECQISFAUSH-UHFFFAOYSA-N 479.318 2.378 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865610522 JHAHGDUGUCNELI-FQEVSTJZSA-N 462.554 2.363 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CNC(C)=O)n(-c4ccccc4Cl)n3)CC2)cc1 1869969202 JHASFJHRUDJIFM-UHFFFAOYSA-N 483.960 2.331 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861997270 MXMCUXZUPLECFD-JOCHJYFZSA-N 450.583 2.372 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864010213 KGOKTALAFMEBBP-HXUWFJFHSA-N 469.586 2.471 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027063 FARQOMAHWONWIP-QHCPKHFHSA-N 489.576 2.428 10 10 JECE COc1ccc(N2CCN(C(=O)C3CN(c4nc5ccc(S(C)(=O)=O)cc5s4)C3)CC2)cc1 1891574975 KAQZZIULJGDUOD-UHFFFAOYSA-N 486.619 2.493 10 10 JECE CCNC(=S)N1CCN(CCNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C)CC1 2294311813 FHSDMXBBLVPYOX-UHFFFAOYSA-N 471.656 2.394 10 10 JECE Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1 54202129 DVTMDPSIHJSHBX-UHFFFAOYSA-N 461.526 2.134 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864007879 WTKHHGBDGHYKJA-LJQANCHMSA-N 470.913 2.439 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cnn(C)c4C)c(=O)n32)cc1 2787320 GZSLRTQDSCXHIR-WLJFKGHSSA-N 479.606 2.296 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152149 XWDJMFWPFWKRNX-DHDCSXOGSA-N 478.533 2.082 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 210679043 JTXNBHCCSASZDR-OQLLNIDSSA-N 451.526 2.313 10 10 JECE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O 248160008 NVIXEUOIGJRIKQ-VXRQDYTKSA-N 474.897 2.017 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862050114 WZTWLUFMUGUPDD-LOSJGSFVSA-N 495.576 2.176 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864009983 HMACQEBXMROQPX-LJQANCHMSA-N 457.575 2.327 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027059 DXTMWIVPJYVENM-OAQYLSRUSA-N 462.506 2.454 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2 1865028728 ZBERQHAMDOLQQH-JOCHJYFZSA-N 475.549 2.179 10 10 JECE CCOC(=O)c1c(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865946037 MYGYCSLNIXDOMR-ZIAGYGMSSA-N 472.313 2.408 10 10 JECE CSCC[C@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867022550 NCNBWJONWPTFPW-SFHVURJKSA-N 488.587 2.073 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(O)c1C[C@H]2O)C(=O)c1c(O)cc(O)cc1C3=O 14677538 QJLPWVUZFKETMK-LLVKDONJSA-N 464.382 2.253 10 10 JECE biogenic Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 35387299 OAHJWRIYYNGWOP-IQFISFIMSA-N 485.635 2.135 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865026344 MDXXPXXVVYFERT-HTAPYJJXSA-N 494.523 2.468 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865026350 MDXXPXXVVYFERT-VGSWGCGISA-N 494.523 2.468 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865035091 LBFHTSXOSABTPE-LJQANCHMSA-N 455.559 2.124 10 10 JECE CC(=O)NCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165563 PHINFAVVEMEPRA-UHFFFAOYSA-N 452.555 2.325 10 10 JECE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2040498356 IHYJZFHWNVPRCV-AWEZNQCLSA-N 462.597 2.423 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 33788489 CXWIDYNRQNCSMT-FSEGOYHTSA-N 492.648 2.459 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)CC1 1760574843 RKOROFIPYMXBGK-INIZCTEOSA-N 463.633 2.315 10 10 JECE CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCOCC3)ccc21 1858074653 PSSUDVUHVLOWLQ-RUZDIDTESA-N 486.638 2.404 10 10 JECE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864008798 SJXNHBHHYUBAGV-FQEVSTJZSA-N 466.494 2.168 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865025661 BIEVGACUKCATGV-GCJKJVERSA-N 494.523 2.468 10 10 JECE COCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871478802 MKVRAZGKMBRKKE-UHFFFAOYSA-N 492.584 2.389 10 10 JECE CCOCCCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873855315 COAIFNDWKBTSRW-UHFFFAOYSA-N 453.447 2.469 10 10 JECE COc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc(OC)c1O 2294623656 OIXZOMDOGVSPHT-UHFFFAOYSA-N 466.231 2.475 10 10 JECE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314761496 UUFYDAADZVPQMB-UHFFFAOYSA-N 464.565 2.079 10 10 JECE COc1cc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc(Br)c1O 2323813396 GZCQVJXRBYROAR-VIFPVBQESA-N 475.342 2.083 10 10 JECE CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O 9505063 BHUWKSFXKDGAQJ-UHFFFAOYSA-N 483.594 2.264 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)NCc3ccc(F)cc3)CC2)cc1 585203204 BPWDPFOYJLFAPG-UHFFFAOYSA-N 464.563 2.176 10 10 JECE COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 731405179 DDSYYXYCMOQWHI-RHSMWYFYSA-N 462.524 2.169 10 10 JECE CCOC(=O)N1CCC(Nc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ncn2)CC1 1858250249 PNIGWKBXMCCODW-UHFFFAOYSA-N 468.558 2.480 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864018167 DRQRTADZEMWKKH-OAQYLSRUSA-N 495.555 2.417 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865029963 ZFVAYYRXGNODMR-LJQANCHMSA-N 455.559 2.031 10 10 JECE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CCOc2ccc(N)cc2)C1 2162922251 OTNVDUIGMMQTKI-UHFFFAOYSA-N 491.610 2.461 10 10 JECE CC(=O)OCc1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)o1 2296552292 SRILPVMJCLDJKM-UHFFFAOYSA-N 452.204 2.409 10 10 JECE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297365943 ABIUSKFCSDNRBO-UHFFFAOYSA-N 469.523 2.095 10 10 JECE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(=O)O 2314927537 GZVREHUVNQBEKT-NEPJUHHUSA-N 453.494 2.448 10 10 JECE COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3n2)cc1 21807895 WOKNAVBCHXWZIU-UHFFFAOYSA-N 488.548 2.232 10 10 JECE COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1 22920928 WVWUZHHMPIMZQJ-RELGLDOUSA-N 493.652 2.231 10 10 JECE biogenic COc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1858133594 UQJIVAGYEBLRFJ-UHFFFAOYSA-N 460.575 2.203 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1 1864009395 GPBFCGPYBFBTBN-LJQANCHMSA-N 470.526 2.119 10 10 JECE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314414458 ZPAHFCRBEKTILT-ZDUSSCGKSA-N 478.621 2.213 10 10 JECE Nc1ccc(-n2nnc(C(=O)NC[C@H](c3ccccc3)S(=O)(=O)c3ccc(F)cc3)n2)cc1 1857878961 PXZSIMDOFBYPOB-HXUWFJFHSA-N 466.498 2.329 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H]4CCS(=O)(=O)C4)c4ccccc34)[C@@H]21 1860347246 DTTSXALGGNEXGS-VOIUYBSRSA-N 478.574 2.092 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 1862161409 ZXSFKMYZDXQMHL-JAXLGGSGSA-N 478.593 2.458 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010965 QRWGVSJQICWVOF-LHSJRXKWSA-N 494.548 2.436 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 2313548512 WWEZEZDYWPDINC-UHFFFAOYSA-N 466.450 2.497 10 10 JECE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)C[C@@H](C)O1 2314401269 VYCFUDMBHUPEGD-ZIAGYGMSSA-N 488.591 2.374 10 10 JECE CCCc1c(CC(=O)OCC)c(O)nc2c1C(=O)c1c([nH]c(=O)c(CC(=O)OCC)c1CCC)C2=O 96346657 NDECHIKQRIJFPD-UHFFFAOYSA-N 498.532 2.367 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Cn3c(S)nnc3-c3cccc(C)c3)CC2)cc1 742919667 BXBISCITZQVINU-UHFFFAOYSA-N 466.611 2.489 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010969 COXNHMFEUJGMOX-IBGZPJMESA-N 470.913 2.108 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011415 UINAUCOIRCFTPI-VLIAUNLRSA-N 464.522 2.428 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865029045 DUKASUPPKMUIRP-HXUWFJFHSA-N 455.559 2.260 10 10 JECE CCCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873575365 YEKJEDBXHNAVEV-UHFFFAOYSA-N 479.585 2.042 10 10 JECE O=C(O)CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S 33570327 KTCAMSFCUIHRMT-WUXMJOGZSA-N 480.505 2.355 10 10 JECE CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)CCC(=O)NCC3)cc2)CC1 257184090 TWIFWUBKZLURTQ-OAQYLSRUSA-N 478.659 2.107 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCNC(C)=O)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871478695 VUCPZPMIZBKCSO-UHFFFAOYSA-N 476.585 2.229 10 10 JECE COC(=O)c1cc(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(C(=O)OC)c1 100050325 IHRACTUONPFMSI-OTXPQFFASA-N 453.411 2.109 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 742947569 GZDMKPMGGIXOHB-UHFFFAOYSA-N 488.654 2.227 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)CC2)cc1 1862155058 SZNNYCUVVKOIMO-VQANOXKBSA-N 481.549 2.496 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2297352020 NIGCFBBUUMJWTH-UHFFFAOYSA-N 464.453 2.209 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864009672 JXYNSZPRIHMAGS-FQEVSTJZSA-N 465.510 2.223 10 10 JECE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875388 SOAHPFZSXQTKSR-LADGPHEKSA-N 497.596 2.403 10 10 JECE CCCCOCC(CO)(COCCCC)NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2313502071 NCLZOUPNPBSCPV-UHFFFAOYSA-N 461.559 2.103 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C5CCCCC5)CC4)n3)CC2)cc1 35926437 CCJCLLYZWRJKAG-UHFFFAOYSA-N 494.640 2.330 10 10 JECE CN(C)c1ccc(CN[C@@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 1616186540 FNFLSPXNUOWCAH-PFATUAPWSA-N 461.610 2.153 10 10 JECE COc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1858957225 OHVFIHVGNYIXMK-UHFFFAOYSA-N 485.518 2.450 10 10 JECE CCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546110 BTWKOXPAZQNNCM-UHFFFAOYSA-N 452.559 2.241 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccn(CC)n4)c(=O)n32)cc1 2786907 LVNROZZXKIGNIS-MNJKBJKMSA-N 479.606 2.471 10 10 JECE Cc1ccc2nc(NCCCO)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33753030 SSESJDVKDRUCQO-KNGSKEOJSA-N 460.581 2.177 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](c3cccc(F)c3)N3CCOCC3)cc2)CC1 1296400872 UMVDFSBNRNOMAZ-DEOSSOPVSA-N 454.546 2.184 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864012638 FSYGQMHKWLMLNO-NRFANRHFSA-N 478.549 2.488 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@@H]2c1ccc(O)c(O)c1 1864016581 SSCNNIUSWDOQFT-HXUWFJFHSA-N 491.548 2.318 10 10 JECE O=C(Cc1ccc(O)c(O)c1)Nc1c(I)ncnc1I 2177525292 GLBXUDHGQOTNHU-UHFFFAOYSA-N 497.030 2.278 10 10 JECE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705560336 KDUBGGQKHJBUNN-IBGZPJMESA-N 489.617 2.226 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5ccccn5)CC4)ncn3)CC2)cc1 1858253109 AMGIAPLREWEIRO-UHFFFAOYSA-N 459.554 2.169 10 10 JECE CCc1nnc(NS(=O)(=O)c2ccc(-c3ccc(C=C4C(=O)NC(=S)NC4=O)o3)cc2)s1 59512988 RXWONVMQSJQSLJ-UHFFFAOYSA-N 489.560 2.076 10 10 JECE CN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031306 DTYNRFFRMVHIER-INIZCTEOSA-N 490.438 2.448 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650390 WOOWIAFUWLYQIQ-UHFFFAOYSA-N 485.596 2.480 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812075 GBIWTJNUYAHNMH-PFSWGADMSA-N 460.581 2.478 10 10 JECE CCCS(=O)(=O)Nc1ccccc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 742919109 CWJJLYGEDUIQQK-UHFFFAOYSA-N 460.600 2.399 10 10 JECE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 1450766245 CBNHWAOQIKJTDY-AAEUAGOBSA-N 450.563 2.490 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865026542 PBTJYJNHMUVJOF-PGRDOPGGSA-N 494.523 2.468 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 1872680432 BRUJDFVUBGVOJV-UHFFFAOYSA-N 479.493 2.261 10 10 JECE COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2297512605 XANVGENGDJPQIA-UHFFFAOYSA-N 484.534 2.449 10 10 JECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)c1 2297638934 JSLJZPVWYNPLOV-GOSISDBHSA-N 451.483 2.297 10 10 JECE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 33460097 SCIWPFCJEXPZEK-SFQUDFHCSA-N 487.607 2.231 10 10 JECE CCn1c(=O)c(/C=C2/C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 100192784 JOBHPLMOYSAYCG-NTCAYCPXSA-N 456.458 2.202 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)cc2)CC1 1625198715 KJUAQYOESSIJJI-SFHVURJKSA-N 456.493 2.303 10 10 JECE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705533659 YYCZCMKCTVUERX-KRWDZBQOSA-N 461.563 2.068 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030430 JRGGRPZGSPRFLW-NRFANRHFSA-N 490.564 2.100 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC4CCCCC4)cn3CCO)CC2)cc1 1870575416 HIWSWUOOYACPSK-UHFFFAOYSA-N 499.608 2.426 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871714286 JWDRXTCGMNZONM-JOCHJYFZSA-N 477.569 2.091 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 2297639190 ANTPLNOCOIBJHL-SFHVURJKSA-N 478.505 2.018 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Cn3c(S)nnc3-c3ccc(C)cc3)CC2)cc1 747163756 BBOMXICSCLAQOX-UHFFFAOYSA-N 466.611 2.489 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865025916 FGOZWEMPDCRAAM-NRFANRHFSA-N 464.522 2.338 10 10 JECE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 2296846701 VYVGJTCTSZCQKK-AWEZNQCLSA-N 492.648 2.459 10 10 JECE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)C[C@@H](C)O1 33451831 VYCFUDMBHUPEGD-VWKMBWMVSA-N 488.591 2.374 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]3c2ccc(O)c(O)c2)c1 1864011073 DJMQJBVAMOHCQJ-IVZQSRNASA-N 478.549 2.459 10 10 JECE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 2293713083 YQOOEIGNTWBZJY-UHFFFAOYSA-N 469.450 2.372 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019673 OQMYQZKOECRXPT-VBKZILBWSA-N 464.522 2.097 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865030335 HZBAEDTUKLHIFM-LJQANCHMSA-N 455.559 2.125 10 10 JECE C[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921751 GTHREQKTPOUPHL-CABCVRRESA-N 468.531 2.120 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718954 SEJQFJCOOVEWSF-UHFFFAOYSA-N 478.601 2.442 10 10 JECE COCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2053496693 HJWNBTFZVHNVSF-CQSZACIVSA-N 460.581 2.441 10 10 JECE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 39729195 YEZSWGQSASCZFF-GZTJUZNOSA-N 486.575 2.418 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 203233407 NXSDPOSAOAWHFZ-MJDLHHQISA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Cc3c(C)nc4c(c(C)nn4C)c3C)CC2)cc1 742919330 FKDISSANHNRMFF-UHFFFAOYSA-N 450.587 2.383 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864008844 TWFIYOFWCXSOOX-IBGZPJMESA-N 470.913 2.439 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864012809 JTDFQDIWCUJWPY-QVKFZJNVSA-N 478.549 2.487 10 10 JECE CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016609 UBMOFKZXHNDPSU-LJQANCHMSA-N 463.538 2.261 10 10 JECE CN(C)c1ccc([C@@H]2NC(=O)N[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)N=C3O)cc1 3217503 WWRPDBRGQIAOBT-HDICACEKSA-N 450.499 2.107 10 10 JECE CN1CCN(c2ccc(/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])CC1 59859927 JELWILZAVHXUSL-XDJHFCHBSA-N 463.494 2.051 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3c(C)nc4cc(OC)c(OC)cc4c3=O)CC2)cc1 1860179968 MDAQVMIPYAKSHA-UHFFFAOYSA-N 452.511 2.080 10 10 JECE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ncncc32)=C[C@@H]1O 2136288301 HMERPNFNWBCXHI-HOCLYGCPSA-N 461.519 2.149 10 10 JECE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccccc3)c3cccnc3)CC2)cc1 16953842 DTXGZQUMOZTVQP-VWLOTQADSA-N 473.577 2.386 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3cccc(CS(=O)(=O)NC(C)(C)C)c3)CC2)cc1 746519038 BNRDVQZTRGTEDL-UHFFFAOYSA-N 488.654 2.465 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864022769 YBEOZVBIPJBRSD-IBGZPJMESA-N 457.575 2.419 10 10 JECE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)C1 1865035674 YXGWJKZBMVHYQM-BEFAXECRSA-N 484.553 2.373 10 10 JECE CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872724639 IGWPXLKQJSQSBO-SFHVURJKSA-N 461.584 2.500 10 10 JECE CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 1464755176 FEHGXYWEFAAUBR-LJQANCHMSA-N 450.630 2.300 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868726939 NNTAWVUJPFFRBC-UHFFFAOYSA-N 453.539 2.254 10 10 JECE CCCn1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018971 MAKKMHFFZPTLJB-QFIPXVFZSA-N 452.555 2.220 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)CC2)cc1 1858410940 SSZBCHUZYHBGAO-LJQANCHMSA-N 486.594 2.013 10 10 JECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccccc3)cc2)cc1 1858955875 VWZWHWDGNJVULJ-UHFFFAOYSA-N 455.492 2.441 10 10 JECE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864015142 KEHGURFLUUSGAP-INIZCTEOSA-N 490.438 2.414 10 10 JECE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015218 MONTWMPZVCFPEK-AWEZNQCLSA-N 469.464 2.003 10 10 JECE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865035463 UNMMZCLYAATNOA-HXUWFJFHSA-N 496.951 2.456 10 10 JECE COc1ccc(C=C2SC(=S)N(CCC(=O)NN3C(=O)CSC3=S)C2=O)cc1 2297232886 UBPSDTKXIZWUIQ-UHFFFAOYSA-N 453.592 2.178 10 10 JECE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 2451236 HABIBCXBVWETKD-QZOQKNACSA-N 471.310 2.291 10 10 JECE O=C1/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33248138 FMTYJJKDCLBIKC-KNTRCKAVSA-N 499.662 2.343 10 10 JECE CC(=O)OC[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 104841679 NXSDPOSAOAWHFZ-IIRVCBMXSA-N 475.669 2.181 10 10 JECE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1622338023 LQBPUNWBWXIIAR-UHFFFAOYSA-N 456.973 2.256 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1 1864009643 JIWAOSMJBVNZNG-QVKFZJNVSA-N 478.505 2.273 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 15036278 JTXNBHCCSASZDR-DHDCSXOGSA-N 451.526 2.313 10 10 JECE COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 731405181 DDSYYXYCMOQWHI-WMLDXEAASA-N 462.524 2.169 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1286849221 UQYCBOZYTDLOKE-SFHVURJKSA-N 452.538 2.293 10 10 JECE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1 1858104340 JAFSVMQZTCNXFX-UHFFFAOYSA-N 460.556 2.134 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2 1865030588 MOVZRCMVRIGNGE-IBGZPJMESA-N 472.542 2.373 10 10 JECE CSCC[C@@H](NC(=O)CCNC(C)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866802087 BVHMMAUHSKDHOB-LJQANCHMSA-N 467.547 2.165 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867359809 FHENCVWZSQTHOO-GOTSBHOMSA-N 483.569 2.095 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2296318960 ODWWUPNNXNIDOE-NRFANRHFSA-N 460.490 2.047 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)cc1 742939275 CILBFHZFQYLEPP-UHFFFAOYSA-N 485.604 2.417 10 10 JECE COc1ccc(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 1857952187 TYJLAFMBFGNLLI-UHFFFAOYSA-N 452.529 2.241 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871498560 LKZUDRQSTYLNRQ-UHFFFAOYSA-N 463.586 2.322 10 10 JECE COc1cc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)SC2=S)ccc1O 2314397378 HPXZQRIUKYRCEN-UHFFFAOYSA-N 460.489 2.410 10 10 JECE C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2)C1=O 12022002 HDBQUCGAIXHOCI-HRAATJIYSA-N 458.584 2.098 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864012628 FNXGUOHLUMWXCG-VFNWGFHPSA-N 492.532 2.435 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1 1864023501 ZPDAAXONJZQGRD-CQSZACIVSA-N 470.448 2.306 10 10 JECE CC(=O)NCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1873849405 CQGXFYTXDRVVJA-RUZDIDTESA-N 459.550 2.431 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 742916400 GZWLJAAPBRDQHG-UHFFFAOYSA-N 453.539 2.368 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864016621 UGVRQEZIVJZNPZ-UGSOOPFHSA-N 450.495 2.173 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028367 SUFKURZHCMOORJ-XMSQKQJNSA-N 476.533 2.329 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865034351 UKIUCYHHDZWAGQ-IAQYHMDHSA-N 482.459 2.259 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@@H](S(C)(=O)=O)C1 2192658426 BPDDXWNNDVMTRB-KBPBESRZSA-N 467.357 2.416 10 10 JECE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)C1 2314399750 DBBIWYBPZKLLJM-CHWSQXEVSA-N 458.565 2.463 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864012557 CXYAGIGWOZZHHN-LJQANCHMSA-N 484.553 2.280 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864012790 JEKNAMSHYHYJRB-FQEVSTJZSA-N 479.537 2.478 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccccn3)CC2)cc1 1870359981 RMMBYDSZYQISKG-UHFFFAOYSA-N 464.566 2.384 10 10 JECE COCCN1C(=O)C[C@](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)(c2ccccc2OC)C1=O 11966158 MUXDPZVXARXHPK-HHHXNRCGSA-N 495.576 2.086 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862044744 SZMULXMARNVSNL-XZOQPEGZSA-N 455.530 2.389 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1 2294134013 PLJTZTNXIPARPS-UHFFFAOYSA-N 454.435 2.312 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(N(C)C)cc3)CC2)cc1 11796592 WGTVKOPORAGHRW-UHFFFAOYSA-N 460.600 2.033 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15038216 IEBSZIMSCKKCCQ-WJDWOHSUSA-N 463.562 2.270 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 1862160945 PWLMSFJXDAUQCJ-PZJWPPBQSA-N 464.566 2.070 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864019594 MXKGXUPUBXQVMC-IBGZPJMESA-N 455.559 2.081 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644495 VZQNAPVSXIRCNV-UHFFFAOYSA-N 464.530 2.443 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4cccc(Cl)c4)C1=O)N(C)CC3)OCO2 2297639402 PRRMHMWHKWJYKF-KRWDZBQOSA-N 498.923 2.363 10 10 JECE COc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 35963708 RVPHRIJJBZYSQJ-RUZDIDTESA-N 493.608 2.282 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)CC1 1466882829 SDFBXIRUXDNUQW-UHFFFAOYSA-N 451.495 2.281 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033271 VXDFPJMDDBJAHG-HXUWFJFHSA-N 462.506 2.399 10 10 JECE CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1 35960714 PULILSOIMFBIAA-XMMPIXPASA-N 480.613 2.455 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864009673 JXYNSZPRIHMAGS-HXUWFJFHSA-N 465.510 2.223 10 10 JECE CN(C)c1ccc([C@H](NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)c2nccn2C)cc1 1866268052 DYLJNESVVSCUCW-NRFANRHFSA-N 462.485 2.396 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCO)n4Cc3ccco3)CC2)cc1 1873600073 JLBMOJKSXIVNCM-UHFFFAOYSA-N 476.537 2.130 10 10 JECE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=S)NCC)CC1 2296824140 NANAAWVYGZFVNR-UHFFFAOYSA-N 473.603 2.083 10 10 JECE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NN1CCOCC1 33932673 HZABJFSCFXACRP-SDNWHVSQSA-N 456.387 2.404 10 10 JECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCN1CCCS1(=O)=O 725760094 YUNRIQDCELSZDZ-FYWRMAATSA-N 473.667 2.271 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)s3)CC2)cc1 742919642 BICIXYIGIYZGHB-NRFANRHFSA-N 492.667 2.157 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(=NCc4ccc(OC)c(OC)c4)[nH]cn3)CC2)cc1 1858249097 ZLXCADYXBRRTQX-UHFFFAOYSA-N 463.538 2.499 10 10 JECE C[C@H](O)Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cccc(O)c1C3=O)[C@H](O)C2 725430785 CSXRQTQEHPUEGX-XXFAHNHDSA-N 476.437 2.457 10 10 JECE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705662417 YFTLDPOYLLTOFQ-LJQANCHMSA-N 489.667 2.272 10 10 JECE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 1858591828 BGFOYJCZRDDTIV-YLQKULKDSA-N 480.564 2.453 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028407 UJJNRTCIQAMZSJ-UWJYYQICSA-N 462.506 2.270 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832148 AMSYLMDOBJJCGZ-OAHLLOKOSA-N 491.547 2.006 10 10 JECE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873169241 GVJYDVQAWWNLPC-UHFFFAOYSA-N 493.652 2.438 10 10 JECE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 2297561188 PYQRCIBIGBDBFI-UHFFFAOYSA-N 486.458 2.238 10 10 JECE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc([N+](=O)[O-])c1O 2297624572 CQKUJUDVAYQWFM-UHFFFAOYSA-N 455.379 2.152 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152190 INZYINPSIRDXRO-WJDWOHSUSA-N 492.560 2.472 10 10 JECE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1528582924 ILZPLDSABNYKNJ-UHFFFAOYSA-N 454.518 2.183 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 1615105183 JSWFKAUTRILNEY-UKILVPOCSA-N 478.536 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 1869007595 PJEUVABONRXGLQ-QGZVFWFLSA-N 464.566 2.416 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O 2296244748 XMUJTSUSXWGJEM-FQEVSTJZSA-N 462.531 2.482 10 10 JECE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N1CCOCC1 2314767084 DMWQHXUTXHXZJM-UHFFFAOYSA-N 494.591 2.087 10 10 JECE O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1cc(Br)ccc1O)N[C@@]2(Cc1c[nH]c2ccccc12)C(=O)O 247389140 KYNDMKVCPUGBSL-WYADAEROSA-N 484.306 2.235 10 10 JECE COc1ccccc1CN1C=C(C(=O)NCc2ccc(N3CCOCC3)cc2)C(C)=NS1(=O)=O 888104497 GVPHHYRPUDPCLG-UHFFFAOYSA-N 484.578 2.253 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864011239 SEMXLNCEQVAEHD-FQEVSTJZSA-N 480.521 2.048 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864023512 ZTCSIZWFVYIGPJ-OAHLLOKOSA-N 483.491 2.342 10 10 JECE COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1865765519 AGHMCYLNBDJQJN-UHFFFAOYSA-N 452.467 2.328 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 1868609546 VYYJLTGAWLQFAN-GOSISDBHSA-N 450.539 2.289 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(OC)cc1 35963700 FIZQZNKMAJLWCT-DEOSSOPVSA-N 481.597 2.282 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864014099 NIQLXCVCKCSGRE-LJQANCHMSA-N 457.575 2.419 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3cccnc3)N(C)C)C(C)C)CC2)cc1 1869045164 UEHZEFKGWSREIA-DHIUTWEWSA-N 453.587 2.183 10 10 JECE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518257 ATAVIUMEBOUTCD-UHFFFAOYSA-N 494.556 2.151 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 1872641523 ICQQEBNJLHBGQX-SFHVURJKSA-N 479.537 2.226 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc4nc[nH]c4c3)CC2)cc1 1862251947 DVMNMEMMCKBALG-OAQYLSRUSA-N 451.552 2.435 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008470 KXEZMZQGIVACMZ-LHSJRXKWSA-N 464.522 2.151 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865026286 LSNRSXDTYILKBU-VGOFRKELSA-N 491.548 2.445 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152189 WZWJWVHOSSKETM-WJDWOHSUSA-N 492.560 2.472 10 10 JECE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 106809812 UWTUMQGYKBOZBX-NTEUORMPSA-N 493.339 2.292 10 10 JECE COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 1857952179 TUZQRVFVLUSVBI-UHFFFAOYSA-N 452.529 2.241 10 10 JECE CC[C@@H](C)NC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870520400 GAQZRNGHAUUDCP-HXUWFJFHSA-N 486.613 2.119 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1 1871481134 HETCGPXIUNJDEF-QGZVFWFLSA-N 492.584 2.123 10 10 JECE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(CC(=O)NCC(=O)O)C3=O)o2)cc1 2314432926 HUKRYWLDIFIJAO-UHFFFAOYSA-N 481.533 2.227 10 10 JECE CC(C)N1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33363828 HUNDQRUXOFRUFI-RVDMUPIBSA-N 457.581 2.006 10 10 JECE CCOC(=O)COc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726725460 DUWBMXGKABZQBY-UHFFFAOYSA-N 455.511 2.361 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cnccn3)CC2)cc1 1862038344 TZQDWDFJJCYOEA-JOCHJYFZSA-N 463.513 2.314 10 10 JECE CCC[C@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020076 UBNHMULUFVDFBV-SFHVURJKSA-N 456.520 2.120 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871685997 CYYXACZHGLOKCZ-UHFFFAOYSA-N 484.555 2.046 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccccc3C)CC2)cc1 1872674953 PLQJFSDSSFYWQL-UHFFFAOYSA-N 451.483 2.367 10 10 JECE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 59453258 BDNRGUZUHSVWDI-UHFFFAOYSA-N 471.381 2.150 10 10 JECE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354767662 PDFYMQCAGYJZRJ-OAHLLOKOSA-N 454.518 2.183 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccn(C)c3=O)CC2)cc1 1862024530 UWLXTEAJCGXDNG-XMMPIXPASA-N 492.551 2.223 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864018629 PLCUUBZHIRMIPH-MGPUTAFESA-N 477.521 2.231 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@H]2c1ccc(O)c(O)c1 1864021226 NOUQWNMFJJYFNA-IBGZPJMESA-N 466.542 2.364 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034219 RPWVKXFZTWLEFD-CQSZACIVSA-N 468.432 2.011 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOC)ncnc21 1875219662 LPLGFZISMFKRGF-UHFFFAOYSA-N 482.585 2.497 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](NC(=O)NCc3ccccc3)C(C)C)CC2)cc1 742919707 CXRZKNHYASITNR-XMMPIXPASA-N 467.614 2.457 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3nccn4c(Br)cnc34)cc2)CC1 1154271004 HGKKCZUEEGISOZ-UHFFFAOYSA-N 457.332 2.090 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)cc2)CC1 1616251954 MTZIODISNNZFBC-IFMALSPDSA-N 459.587 2.498 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 1862153616 RMMQOTJKFFJHEU-MUFCHLESSA-N 451.523 2.333 10 10 JECE CCCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870656694 OOYFPSLKGXWWLX-UHFFFAOYSA-N 470.614 2.300 10 10 JECE COc1ccc(Cn2cc(OCC(N)=O)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870669946 KIUUOHNMUOBRTP-UHFFFAOYSA-N 492.576 2.100 10 10 JECE COc1c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(CCN(C)C(C)=O)cc2c1OCO2 2297638940 KFYVRZSXGXXGAH-UHFFFAOYSA-N 483.452 2.250 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)cc(OC)c1O 210749554 OASNVVNPLYSVLI-XNTDXEJSSA-N 468.553 2.372 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCCN(C(=O)OCC(C)C)CC3)CC2)cc1 726247116 GLGYJBDOGCZIJZ-UHFFFAOYSA-N 461.607 2.327 10 10 JECE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1705622286 CYVZQYWOWNFWFK-RUZDIDTESA-N 453.587 2.447 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)C1 1760582199 OBTYMNDLUVUYIY-CVEARBPZSA-N 463.633 2.173 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@H]3c2ccc(O)c(O)c2)c1 1865027519 JACAMLOHYWZHDL-QFIPXVFZSA-N 478.549 2.413 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865029701 TYTCBVWNXKVQDZ-HXUWFJFHSA-N 484.553 2.319 10 10 JECE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297468212 MYFBJGSKAHGDFM-UHFFFAOYSA-N 471.520 2.486 10 10 JECE CCOC(=O)N1CCN(Cc2cc(CN3CCN(C(=O)OCC)CC3)c3cccnc3c2O)CC1 33587245 RALOKAOJUPBBFD-UHFFFAOYSA-N 485.585 2.489 10 10 JECE CCOc1ccc(N2C[C@@H](C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 742916056 AYGCMLKCHXSLQS-FQEVSTJZSA-N 466.582 2.385 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865029803 VOJGHUDUZCCZRR-LJQANCHMSA-N 485.541 2.008 10 10 JECE CC(C)(C)OC(=O)NOCCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136262355 TVJGVGCIHHTJSE-HNNXBMFYSA-N 469.535 2.496 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 2297639492 WRCGZELKTUXIHB-KRWDZBQOSA-N 498.536 2.013 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 15051053 HISSPCQBPDQINV-UAYXSDCWSA-N 499.595 2.424 10 10 JECE CN(C)c1ccc(CNC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N4CCCC4)cc32)cc1 33131534 XFEUGDKSQWMBIB-UHFFFAOYSA-N 494.664 2.354 10 10 JECE CC(=O)[C@@H](/N=N/c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)Nc1ccc2c(c1)=NC(=O)N=2 504629720 UTQQVKFFYRDFGH-PEKPAEBVSA-N 497.471 2.091 10 10 JECE CC(=O)c1cn(C2CN(C(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)C2)nn1 1180301448 NOJIJGSBJXRVEY-CAOOACKPSA-N 459.528 2.295 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 1868972649 XBYGJPMZMLJVBY-IBGZPJMESA-N 457.600 2.496 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1 1871655812 KASFXAVMHQVPLX-HNNXBMFYSA-N 487.967 2.379 10 10 JECE CCCCCN1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 33650831 WYQNYFPBFKVSIT-FBMGVBCBSA-N 487.651 2.200 10 10 JECE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1705781288 VLJLVMZCZFPVTG-KRWDZBQOSA-N 492.621 2.315 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOC)[C@H]2c1ccc(O)c(O)c1 1864017916 YHXSABLFKGNJHM-IBGZPJMESA-N 480.521 2.447 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1 1865029495 ORLDQRRXWMORKT-LJQANCHMSA-N 470.526 2.073 10 10 JECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 2296212866 COXPCPFIFVGUGZ-FQEVSTJZSA-N 462.462 2.017 10 10 JECE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724072 QZUUNSATTHXUOG-NWFCWYBLSA-N 478.621 2.213 10 10 JECE CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 34145019 WJSVCFHFAAOHLG-ORGXJRBJSA-N 471.491 2.327 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H]4CCS(=O)(=O)C4)c4ccccc34)[C@H]21 1860347244 DTTSXALGGNEXGS-GYCJOSAFSA-N 478.574 2.092 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865029700 TYTCBVWNXKVQDZ-FQEVSTJZSA-N 484.553 2.319 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865035032 JPEBOXNVYWLFHW-NRFANRHFSA-N 491.548 2.166 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1 1868765182 DGLSXLUZWJBOFI-NRFANRHFSA-N 471.627 2.497 10 10 JECE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2314400148 ITEAMFGOAQZVRJ-UHFFFAOYSA-N 471.608 2.314 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)cn3C)CC2)cc1 8609821 RACFMZMHYBRNIG-UHFFFAOYSA-N 460.600 2.417 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 34704018 UKVJTZDGHKDAOA-NBVRZTHBSA-N 487.651 2.383 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccn(CC)n4)c(=O)n32)cc1 254828399 LVNROZZXKIGNIS-JOCHJYFZSA-N 479.606 2.471 10 10 JECE CC(C)(NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866581886 KHGZVFWYTDBVKV-CQSZACIVSA-N 468.531 2.120 10 10 JECE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866640932 KIXLNBSIBXMDPU-GOSISDBHSA-N 471.425 2.439 10 10 JECE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NC[C@@H](C)O)[nH]1 1871558683 AQARYBKXXVCRGK-GOSISDBHSA-N 463.586 2.149 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871670572 KPOSRQBVMNXWJQ-UHFFFAOYSA-N 476.629 2.385 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869970924 UBBOBLKJDKGHQU-IBGZPJMESA-N 488.614 2.102 10 10 JECE COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(Br)c(Br)c1O 2293644691 KHPCWRVFFRFLKB-UHFFFAOYSA-N 450.108 2.182 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 2297639460 ULRBNGIMRKCHGI-KRWDZBQOSA-N 486.594 2.002 10 10 JECE CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)[C@H]2CCS(=O)(=O)C2)cc1 40325769 LGXMKUMWLDPTOA-VWNXMTODSA-N 483.634 2.360 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1Cc1ccccc1 504817754 IXPGAMUPYUVAMZ-HWRXOPEZSA-N 469.497 2.261 10 10 JECE biogenic CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865030723 PJJYSUZHUXDASP-HXUWFJFHSA-N 497.596 2.321 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871694844 KCIOLWDUWHWIHI-UHFFFAOYSA-N 491.644 2.412 10 10 JECE CN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 34388193 RFQUTIGBGNGVPM-XRNDOFNESA-N 473.395 2.184 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)C1 1760582200 OBTYMNDLUVUYIY-HOTGVXAUSA-N 463.633 2.173 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN5CCOCC5)ncnc4n3C)CC2)cc1 1875198095 UIEQRBZCJSOLMP-UHFFFAOYSA-N 493.612 2.074 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN(C)C)ncnc21 1875223411 PJJVFOMZOOITBY-UHFFFAOYSA-N 495.628 2.412 10 10 JECE CC(C)(C)OC(=O)NCCONC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080889965 WFZYHYCONXREID-AWEZNQCLSA-N 455.508 2.106 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2 1865029171 HRZHRVMUCWINGR-LJQANCHMSA-N 484.553 2.280 10 10 JECE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867166146 PVFDGCWVSMNYTB-HXUWFJFHSA-N 482.452 2.241 10 10 JECE CCCN1C(=O)C(=CNNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C(=O)NC1=S 2042447209 XUJLMYSZLGIFSE-UHFFFAOYSA-N 458.565 2.282 10 10 JECE O=C(O)COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 2314928748 AWOBRTHFLYKWER-UHFFFAOYSA-N 450.519 2.245 10 10 JECE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)cc1 2323743462 ZKCNLGQSYJXTGW-UHFFFAOYSA-N 463.625 2.467 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(CN4CCC(O)CC4)cc3)CC2)cc1 729499450 HASVNMSPSAXVGY-UHFFFAOYSA-N 481.641 2.273 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860760649 BONRRHGCNIINNE-CQSZACIVSA-N 476.507 2.500 10 10 JECE CC[C@H](C)NC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870526724 YOZSCRSFBOGOPJ-IBGZPJMESA-N 456.587 2.493 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1 1871655813 KASFXAVMHQVPLX-OAHLLOKOSA-N 487.967 2.379 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871669886 BKUJXJDSLYLHIJ-UHFFFAOYSA-N 463.586 2.205 10 10 JECE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873165527 MRVTUCPMBCTNDG-UHFFFAOYSA-N 466.582 2.132 10 10 JECE COCCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873590053 CDFBKPNSOFWYNU-OAQYLSRUSA-N 494.596 2.322 10 10 JECE O=C(O)CN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2297506128 OCNASMMCFDPHQT-HNNXBMFYSA-N 482.543 2.126 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1 1615103972 CUHOPLIPUDLOCT-AOYPEHQESA-N 474.573 2.351 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1 1865031372 FLPFDAGSJUYWMG-FQEVSTJZSA-N 476.533 2.424 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cnnn3-c3ccc(OC)cc3)CC2)cc1 1868824523 BFHZIAGEQHGBOO-UHFFFAOYSA-N 478.553 2.142 10 10 JECE COc1cc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2323840402 YJBDCTXUITZMCW-UHFFFAOYSA-N 450.563 2.492 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccccc1O 248222821 IIYRJLQAUAJSCW-VKDGWMQASA-N 467.478 2.412 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)CC2)cc1 742939299 CRMUDIWETAXSCM-HHHXNRCGSA-N 494.684 2.495 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 742947295 ATKFEDFEWFLVIB-UHFFFAOYSA-N 465.476 2.172 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(F)ccc4F)C3)CC2)cc1 1615106272 LDNCYQGPUZFDTI-NOZRDPDXSA-N 478.536 2.181 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007181 HICVEHJYXIJXFP-QFIPXVFZSA-N 493.564 2.363 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1869927779 ANOTYESMKPVUPP-OAQYLSRUSA-N 468.579 2.347 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cc(C)ccc3OC)CC2)cc1 1872638812 ONZUACSUUNZTNI-UHFFFAOYSA-N 495.536 2.304 10 10 JECE COc1ccc(NC(=O)COc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872676739 URIBKJVNVPBGEA-UHFFFAOYSA-N 467.482 2.067 10 10 JECE O=C1C(=Cc2c(NCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2053497247 BZCOTERONJMWMG-UHFFFAOYSA-N 482.543 2.229 10 10 JECE CCN(C(=O)CCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885472 WJMKXRNWCWFKII-HNNXBMFYSA-N 468.622 2.322 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865384079 GFHMKFIDUVSELE-OAQYLSRUSA-N 474.565 2.430 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864008395 JNSYKSXXYBMFKE-HXUWFJFHSA-N 460.494 2.070 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(C(=O)OCC)CC1)=C(N)O2 1864010583 OESNUKARPPSVSA-LJQANCHMSA-N 499.568 2.216 10 10 JECE COCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642573 IJTLNPBVTKAXNW-HSZRJFAPSA-N 450.539 2.199 10 10 JECE CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1 35962908 JQGNDIVZDWXWNH-QHCPKHFHSA-N 455.534 2.023 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 743442321 HTUNXFITMKTUGT-UHFFFAOYSA-N 461.906 2.134 10 10 JECE COc1cc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc(Br)c1O 1858592042 GZCQVJXRBYROAR-VKRGWIQLSA-N 475.342 2.083 10 10 JECE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCCO)[nH]1 1871558726 CPILAEMCVFUCGN-UHFFFAOYSA-N 463.586 2.151 10 10 JECE O=C(O)CCNC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314827810 MUQUKAUGTBELAE-UHFFFAOYSA-N 459.343 2.337 10 10 JECE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1301672412 PLFRAFHAIQTYSE-QFIPXVFZSA-N 497.644 2.148 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864014225 PRQWCDLWPNRYCJ-LJQANCHMSA-N 466.542 2.433 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864018192 FHRPUIAERYWFJW-NRFANRHFSA-N 492.580 2.394 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028981 CQWVTECCMFCCDW-OAQYLSRUSA-N 478.549 2.440 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865032783 KRFLDQPLPSPPKS-QFIPXVFZSA-N 489.576 2.374 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651097 PVWPKNWLMHUSQF-UHFFFAOYSA-N 462.602 2.076 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2040498526 LYIULJXBMPAPTM-ZIAGYGMSSA-N 460.581 2.156 10 10 JECE CCn1cc(S(=O)(=O)N2CCN(C3=NC(=O)C(=Cc4ccc(F)cc4)S3)CC2)c(C)n1 2297116904 SNOCMOSHYXBJSE-UHFFFAOYSA-N 463.560 2.327 10 10 JECE Cc1cc(/C=C\C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96876537 DBSFGRJMLCPUJV-WCMNTNLDSA-N 471.579 2.167 10 10 JECE C[C@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 19848674 RDAKYKIUVBXMMM-QOIOWGMHSA-N 461.268 2.154 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCCN4CCOCC4)[C@H]3C2)cc1 104922298 CWZMRJCGVOFGFM-XNMGPUDCSA-N 494.636 2.410 10 10 JECE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 206839126 AYVLWGHWVIJNNQ-AQTBWJFISA-N 494.591 2.087 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](O)COc3c(C)cccc3C)CC2)cc1 743362589 FWNLFOQLHMOZPI-QFIPXVFZSA-N 456.587 2.173 10 10 JECE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@@H]3[C@H](NCc4ccc(N(C)C)cc4)CO[C@@H]32)nn1 1616129822 LDUOXRVGZHFFKW-VEYUFSJPSA-N 462.598 2.473 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4ccc(OC)c(OC)c4)c(C)[nH]3)CC2)cc1 1858530338 VKLMOEHPVSMBNO-UHFFFAOYSA-N 493.564 2.366 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCO)[C@@H]3c2ccc(O)c(O)c2)c1 1864011543 JKFWSUAWDHKNJK-OAQYLSRUSA-N 464.522 2.071 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865032077 VDTWSKHOOOUTFJ-HXUWFJFHSA-N 494.548 2.314 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4ccc5c(c4)OCO5)oc3C)CC2)cc1 1868996766 YGPYIRSGMOAJFQ-UHFFFAOYSA-N 492.532 2.395 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)n(C)n3)CC2)cc1 1869969551 QFZPIDMYNKWXSO-UHFFFAOYSA-N 482.541 2.428 10 10 JECE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724323 CMOWGOYQCVXMST-JMRXEAOASA-N 478.621 2.295 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCNC(C)=O)CC2)cc1 1870552470 GLNBANMQSZZQIM-UHFFFAOYSA-N 486.613 2.119 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCCS4(=O)=O)cc3)CC2)cc1 9526986 WOYGPSNYFUVKJI-UHFFFAOYSA-N 465.597 2.136 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cc1 743362632 GNPVIJDPLQXDNC-UHFFFAOYSA-N 469.561 2.124 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CCCN(C(=O)NCC(C)C)C3)cc2)CC1 1466882394 KWNYVHUPMCIBHC-QFIPXVFZSA-N 457.619 2.439 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865025807 DHWLDNLSGPNWIG-QFIPXVFZSA-N 494.548 2.408 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032991 PHSKCRFTBSBUMH-OAQYLSRUSA-N 478.549 2.440 10 10 JECE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 2293160990 DGZWSUZGKURVNN-KRWDZBQOSA-N 476.489 2.192 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)Cc2ccccc2)CC1 2297616102 YPFQMGZOLZQYSN-UHFFFAOYSA-N 476.537 2.178 10 10 JECE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NCC2CC2)cc1 248083847 WAUSJPRRZBQQCZ-SMIHKQSGSA-N 462.550 2.121 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2)CC1 1654960211 GPPQLKBBVSWMLH-UHFFFAOYSA-N 458.584 2.428 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018666 QJYAPMUREUBKSH-RBZFPXEDSA-N 482.512 2.236 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865030476 KNIPUQBIOISMJF-IBGZPJMESA-N 456.543 2.456 10 10 JECE COCCCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169488 CBTXLNZFUOWUHU-UHFFFAOYSA-N 466.582 2.132 10 10 JECE CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1 35960713 PULILSOIMFBIAA-DEOSSOPVSA-N 480.613 2.455 10 10 JECE COc1c(F)cc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1S(N)(=O)=O 726567573 MKXCMTYSMGWXOZ-UHFFFAOYSA-N 487.500 2.411 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)cc2)CC1 1616251958 MTZIODISNNZFBC-RBBKRZOGSA-N 459.587 2.498 10 10 JECE COc1ccc(CC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862303298 PCPRBOKLKIIDKN-QFIPXVFZSA-N 455.580 2.497 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865028354 SLBDRFXFVNJKDD-FQEVSTJZSA-N 497.939 2.274 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1 1871652353 HWZBLQLYNXKNLM-UHFFFAOYSA-N 487.967 2.381 10 10 JECE Nc1ccc(NC(=O)Cn2cnc(I)c2I)cc1 310730403 WAYIHNLPYXFSMR-UHFFFAOYSA-N 468.036 2.313 10 10 JECE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031350 FEZAEQXHZPXBMS-HNNXBMFYSA-N 481.475 2.097 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3coc(C)n3)CC2)cc1 1869020633 WJOHCXRBBZALDL-DEOSSOPVSA-N 478.549 2.316 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1OC 2296943391 YIYRLFJOQLGDMQ-UHFFFAOYSA-N 452.467 2.279 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865027844 MHYMELMWKAWKCT-JOCHJYFZSA-N 476.533 2.329 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865035033 JPEBOXNVYWLFHW-OAQYLSRUSA-N 491.548 2.166 10 10 JECE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCO)[C@H]2c1ccc(O)c(O)c1 1864015202 MBOLPLFOFRYOPK-IBGZPJMESA-N 464.522 2.420 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026940 UEAIBIPPVJYIBD-FQEVSTJZSA-N 484.940 2.450 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1 1865029525 PHYSNIVEYIVDOL-HXUWFJFHSA-N 455.559 2.117 10 10 JECE Cc1ccc(N=c2nc(N3CCC(N(C)C)CC3)[nH]c(N3CCC(N(C)C)CC3)n2)c(O)c1 1871732066 RFEHKFLCXDIPNI-UHFFFAOYSA-N 454.623 2.112 10 10 JECE NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2040498372 IQJHMWDYJCGFCN-UHFFFAOYSA-N 495.586 2.391 10 10 JECE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040501195 YYIOIPWTPZNMCM-INIZCTEOSA-N 487.651 2.117 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860761504 WIKZVOOTJSISMW-ZDUSSCGKSA-N 462.480 2.110 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017389 LDJFSGOCIIQNJL-HXUWFJFHSA-N 480.521 2.312 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865032657 HVJCJIBDMPATGI-OAQYLSRUSA-N 475.549 2.315 10 10 JECE COCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2040470119 FQIZXQUXZRFKOW-UHFFFAOYSA-N 460.581 2.077 10 10 JECE CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 616588888 NUCMFNFBECGZSA-WHCFWRGISA-N 489.437 2.311 10 10 JECE COc1ccc(N2CCN(CCNC(=O)COc3cccc(N4CCCC4=O)c3)CC2)cc1 742926867 CUIXGXODONHIAJ-UHFFFAOYSA-N 452.555 2.139 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1690782224 XUAFODGZWAOLAK-OAQYLSRUSA-N 499.685 2.322 10 10 JECE CCOC(=O)N1CCC(NC(=O)c2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)CC1 1858250078 MRLIGDHAAQFSFR-UHFFFAOYSA-N 468.558 2.163 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864007765 UPXHQCNNPWHWLT-SFHVURJKSA-N 456.886 2.048 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647038 IWVQOBFQULIRDU-UHFFFAOYSA-N 469.977 2.242 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 729605471 BNAUUDHSXBMRFP-HXUWFJFHSA-N 451.571 2.201 10 10 JECE Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(S(N)(=O)=O)c1 1867249312 XSMCMDILEGJACZ-AWEZNQCLSA-N 491.525 2.175 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 40938449 DOLFSYPVTFOFRO-QGOAFFKASA-N 494.591 2.389 10 10 JECE COc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867389214 ZCWMXASVOXFEDP-BJKOFHAPSA-N 468.598 2.195 10 10 JECE CCNC(=O)COc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870532054 PZQLPUSQLDIFCG-UHFFFAOYSA-N 499.656 2.036 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169973 JUWULHHCQJLOMV-UHFFFAOYSA-N 493.652 2.438 10 10 JECE Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCNCC3)C(=O)NC2=S)cc1C 220929411 SEMGFZRTMJZXGT-CPNJWEJPSA-N 465.535 2.453 10 10 JECE CCc1cccc2c(/C=C3/C(=O)NC(=S)N(CCOC)C3=O)cn(CC(=O)N(CC)CC)c12 263626881 ANRHCCIMDCWNQX-UYRXBGFRSA-N 470.595 2.345 10 10 JECE COc1ccc(N2CCN(CCNC(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 742916421 HQIOIHCZVMHMQK-UHFFFAOYSA-N 451.523 2.427 10 10 JECE CC(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CC1 1540969743 VZFXKGFSRZUZKB-UHFFFAOYSA-N 463.633 2.098 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1722743954 CEQQXQNCJHWDOR-UHFFFAOYSA-N 499.685 2.465 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864014220 PPZUCUGIWCDBES-IBGZPJMESA-N 457.575 2.275 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865028088 PFTBEZRDWZVAPU-NRFANRHFSA-N 462.506 2.204 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868816128 GDMOQUDDSITFGL-HSZRJFAPSA-N 454.546 2.264 10 10 JECE COCCN1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33507190 YNXPOLALZQRISL-KNGSKEOJSA-N 460.581 2.441 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2296318961 ODWWUPNNXNIDOE-OAQYLSRUSA-N 460.490 2.047 10 10 JECE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989910 JGIZHDCEFBFVSZ-DVESDOJUSA-N 490.607 2.338 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)CC2)cc1 742916190 DUWJAXZBOYKWMD-HSZRJFAPSA-N 496.633 2.351 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 742939183 BFGPEPXDNKRUBS-UHFFFAOYSA-N 471.577 2.292 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(C(=O)OCC)CC1)=C(N)O2 1864010582 OESNUKARPPSVSA-IBGZPJMESA-N 499.568 2.216 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864018361 JJYBVMKEVGBNDR-HXUWFJFHSA-N 479.537 2.214 10 10 JECE CCOCCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872717381 SLXIBRPTIOPZBG-UHFFFAOYSA-N 478.567 2.165 10 10 JECE COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)CC2)cc1 9676698 UBVBPAYFYDDDFH-UHFFFAOYSA-N 498.649 2.485 10 10 JECE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33438659 ITEAMFGOAQZVRJ-MHWRWJLKSA-N 471.608 2.314 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2 1865028891 AKQYPHKJBCWTOB-KXBFYZLASA-N 484.553 2.280 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029679 SRPLFRBRSUDEPN-OAQYLSRUSA-N 476.533 2.193 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033270 VXDFPJMDDBJAHG-FQEVSTJZSA-N 462.506 2.399 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867347584 XOOIOHUTRFZTFV-XZOQPEGZSA-N 456.562 2.326 10 10 JECE COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(C(=O)O)c1OC 16906241 GYWISDNTYPYGBX-GXDHUFHOSA-N 480.545 2.497 10 10 JECE CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 43025379 OFRWMWHKNKWEHT-UHFFFAOYSA-N 468.558 2.033 10 10 JECE in-vitro CCOc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 44441244 YGWQWLQDGGFRTB-UHFFFAOYSA-N 462.572 2.367 10 10 JECE CC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868782596 ANFDYYUWCRLZOW-NRFANRHFSA-N 494.013 2.366 10 10 JECE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NN1CCOCC1 2296881446 HZABJFSCFXACRP-UHFFFAOYSA-N 456.387 2.404 10 10 JECE COc1cc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc(Br)c1O 2323831358 AJDWHJQDBVWVKX-MRVPVSSYSA-N 462.299 2.292 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)CC2)cc1 742919806 DQDNSUHIEAXBID-UHFFFAOYSA-N 486.638 2.468 10 10 JECE CN1C(=O)COc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc21 1860744501 SUCBGYICCKQXAU-UHFFFAOYSA-N 455.426 2.394 10 10 JECE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCO)=C(N)O3)cc1 1864017787 VEYLCPFGEAXJJY-HXUWFJFHSA-N 494.548 2.429 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865028039 OBUWUMHSBOFIBT-OAQYLSRUSA-N 480.521 2.136 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1 1865034120 POZHUQHIHGRMLM-HNNXBMFYSA-N 482.459 2.259 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1286849217 UQYCBOZYTDLOKE-GOSISDBHSA-N 452.538 2.293 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4cccc(F)c4)c(C)[nH]3)CC2)cc1 1858529392 PXRBEQIXDPXXKF-UHFFFAOYSA-N 451.502 2.488 10 10 JECE CCCn1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861986558 PORXJUYCKUGWBM-OAQYLSRUSA-N 470.595 2.131 10 10 JECE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015229 MUFYNDCGTOCJDC-OAHLLOKOSA-N 483.491 2.393 10 10 JECE COc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869969115 FICJCMFVGFBLLB-UHFFFAOYSA-N 452.515 2.176 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)CC2)cc1 742919054 BEKXCZBJXMHLKT-PMACEKPBSA-N 453.587 2.256 10 10 JECE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1705567561 YSXIMTWUZJNFRL-QFIPXVFZSA-N 481.626 2.200 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)N2CCOCC2)cc1 1858074090 CKMQRMSKCVKXIW-IBGZPJMESA-N 456.509 2.043 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008053 AUDKUSUBXQYYDL-HXUWFJFHSA-N 497.939 2.192 10 10 JECE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1 95470971 DTXDRCVVDKOKPD-ZHZULCJRSA-N 478.958 2.034 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864016780 XAOCBCLAYOSKMX-IBGZPJMESA-N 463.538 2.354 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867347582 XOOIOHUTRFZTFV-GOTSBHOMSA-N 456.562 2.326 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867359811 FHENCVWZSQTHOO-XZOQPEGZSA-N 483.569 2.095 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 39729217 QEAIRQATOKTVNI-DSQDWWTGSA-N 462.597 2.423 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccn(CC)n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254293769 LWOAWPMKOBRPRI-NRFANRHFSA-N 465.579 2.081 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865029334 KWNVSPKTJVVVIB-NRFANRHFSA-N 491.548 2.264 10 10 JECE O=C(O)COc1cccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 210428614 LYVQKVNMKUSHNQ-GDNBJRDFSA-N 450.519 2.245 10 10 JECE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1565532146 NZWAHZQUPJZOFJ-QHCFZIRBSA-N 453.470 2.000 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864019976 SPZPHQKVHSGWNO-IBGZPJMESA-N 457.575 2.327 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873167066 QPADGVWDCNPGAW-OAQYLSRUSA-N 450.539 2.079 10 10 JECE COCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875224523 WIUMBYAHNVGZJC-UHFFFAOYSA-N 482.585 2.497 10 10 JECE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CNCc3ccc(N(C)C)cc3)cc2)n1 1860716718 YUYIUOBUCBIWIU-UHFFFAOYSA-N 454.556 2.380 10 10 JECE Cc1ccc2nc(NCCOCCO)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2040499433 YEZSWGQSASCZFF-UHFFFAOYSA-N 486.575 2.418 10 10 JECE CCOc1ccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 11796527 WUBNACNPWSPOKW-UHFFFAOYSA-N 491.610 2.131 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467689 VUXFWAUGMAZLBX-XMHGGMMESA-N 489.667 2.428 10 10 JECE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705560337 KDUBGGQKHJBUNN-LJQANCHMSA-N 489.617 2.226 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CCC(N)=O)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758270 JHILZGDWIINMIG-CYBMUJFWSA-N 495.941 2.327 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865026090 FVGVZBVWDIVNBM-JOCHJYFZSA-N 475.549 2.451 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871666008 JRLUJYXEHCTKDB-UHFFFAOYSA-N 492.628 2.166 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 4057959 YGZICXHXLWTFPR-FQEVSTJZSA-N 488.635 2.204 10 10 JECE CN1CCCc2cc(CN3CCC4(CC3)C(=O)N(CC(N)=O)C(=O)N4CCc3ccccc3)ccc21 14537506 OKLAWMLYBRRTDX-UHFFFAOYSA-N 489.620 2.396 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248220479 HQOSRGJOSSVGRX-ZDQHKECQSA-N 497.504 2.421 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 743362527 FJQQRIPADWXHRJ-RUZDIDTESA-N 467.614 2.017 10 10 JECE COc1ccc(N2CCN(Cn3nc(N4CCOCC4)n(C[C@@H]4CCCO4)c3=S)CC2)cc1 834888142 DNAIWSUOLRXDLT-NRFANRHFSA-N 474.631 2.218 10 10 JECE C[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921754 GTHREQKTPOUPHL-LSDHHAIUSA-N 468.531 2.120 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873166454 AAOMZCMSQXJGRF-UHFFFAOYSA-N 452.555 2.325 10 10 JECE Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)n1 1874179488 GYANAHASNVFNQT-UHFFFAOYSA-N 453.458 2.460 10 10 JECE O=C(Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 2297366271 WDBFKIHNOOGUQN-KRWDZBQOSA-N 492.557 2.356 10 10 JECE CCCn1ncc(N2CCC(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2)cc1=O 581778811 IEQTXNYKEVKPRA-UHFFFAOYSA-N 496.656 2.207 10 10 JECE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)CC1 1523201450 NTVIEXHWPGXKCS-KRWDZBQOSA-N 458.584 2.096 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865030730 PMTYUHNTRXYWTD-FQEVSTJZSA-N 483.569 2.042 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868598968 RXEMTKAMFDCLAK-CYFREDJKSA-N 485.606 2.026 10 10 JECE CCCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868897873 FJPVJHQANCJGRG-FQEVSTJZSA-N 499.641 2.459 10 10 JECE CC(C)CCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 2040498735 OBIUVUXBEQSWQR-UHFFFAOYSA-N 487.651 2.056 10 10 JECE O=C(O)CCCN1C(=O)C(=C2C(=O)N(CC(=O)O)c3ccc(Br)cc32)SC1=S 2053498546 ZQBWQDOEIBAZOP-UHFFFAOYSA-N 485.337 2.317 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(C)c(OC)c4)CC3)CC2)cc1 742927957 BQWRLWGJZMRGPZ-UHFFFAOYSA-N 495.624 2.302 10 10 JECE COCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871628290 MKBFECOYMLWCMR-UHFFFAOYSA-N 475.557 2.307 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N(C)CCO)n4Cc3ccco3)CC2)cc1 1873563615 UYKNLRWVBRUATN-UHFFFAOYSA-N 490.564 2.472 10 10 JECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNC3CCN(Cc4ccccc4)CC3)C2=O)c1 2296212906 LHEDFDXEKXFXGB-UHFFFAOYSA-N 464.522 2.425 10 10 JECE COc1ccc(CCC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 11796571 JRRRXHGNRBUGDS-UHFFFAOYSA-N 475.611 2.295 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)C1 1760582201 OBTYMNDLUVUYIY-HZPDHXFCSA-N 463.633 2.173 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(C)=O)c4)C3)CC2)cc1 1858426550 ZPCFECKGWFQJIH-HXUWFJFHSA-N 471.579 2.257 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C(F)(F)F)CC2)cc1 1861965692 UYQZNJAVRUQFIZ-IBGZPJMESA-N 451.445 2.339 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccn3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026794 SABQOIZRAAOKOF-OAQYLSRUSA-N 476.537 2.061 10 10 JECE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCN(C)C)ncnc21 1875225923 TXRBCEDQVHOMIY-UHFFFAOYSA-N 495.628 2.412 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3N3CCN(C)CC3)CC2)cc1 742927974 DCPCONGHWLJDKL-UHFFFAOYSA-N 452.603 2.391 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)cc1 1861881046 XFXCKKNXAPCZHE-UHFFFAOYSA-N 451.502 2.313 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864017220 ILMIHTLFBKOGPC-FQEVSTJZSA-N 493.564 2.362 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020001 UAFKMEOQGRQBIY-HXUWFJFHSA-N 464.522 2.098 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865032039 UGDWVFZENVCTFJ-YWZLYKJASA-N 476.533 2.424 10 10 JECE Nc1ccc(CC(=O)Nc2c(I)ncnc2I)cc1 2121023377 JIVKQRMXBCPHGL-UHFFFAOYSA-N 480.047 2.449 10 10 JECE Cc1ccccc1CN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865028741 ZOCKVBHYQMEXLU-QHCPKHFHSA-N 489.576 2.487 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865035219 OKJLTBKLSGLAAY-LJQANCHMSA-N 499.568 2.262 10 10 JECE CCc1nn(C)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865402235 RNCQWQZPLIJOTB-OAQYLSRUSA-N 474.565 2.430 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314836437 FIAKQPAVVGPJAC-NSHDSACASA-N 463.562 2.268 10 10 JECE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)CC2)cc1 914710585 BYFPNLRASSHKLK-UHFFFAOYSA-N 487.578 2.143 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)cc2)CC1 1138229110 VBMSKEQVUMIYPR-MRXNPFEDSA-N 459.572 2.028 10 10 JECE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)N2CCOCC2)cc1 1858074101 CWSRKBMHJJRBPM-QHCPKHFHSA-N 472.611 2.231 10 10 JECE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860742829 PAHFDKGKYQMULA-UHFFFAOYSA-N 485.456 2.053 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@@H]3c2ccc(O)c(O)c2)c1 1864011485 IEOSGIBNIQVZKL-JOCHJYFZSA-N 478.549 2.461 10 10 JECE CCCCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873583691 FPTWRCLTAJKHPX-UHFFFAOYSA-N 496.612 2.305 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314827659 JTXNBHCCSASZDR-UHFFFAOYSA-N 451.526 2.313 10 10 JECE CC(=O)N1C(=O)/C(=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c2ccccc21 35625269 BQTVPMGJDCLWLM-ISLYRVAYSA-N 481.511 2.488 10 10 JECE O=C1NC(=O)C(=Cc2ccc(SCC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)C(=O)N1 59498931 IILTYOVLPXGMQO-UHFFFAOYSA-N 456.392 2.227 10 10 JECE Cc1ncc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)[nH]1 727353772 WXSCMUJYIXZGSE-UHFFFAOYSA-N 464.525 2.481 10 10 JECE CCCCOC(=O)COc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870764409 IRLMXCCORNNNRZ-HXUWFJFHSA-N 487.597 2.282 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871717282 NJAQQHHPTCYFDD-UHFFFAOYSA-N 479.585 2.074 10 10 JECE CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)CCC(=O)NCC3)cc2)CC1 257178654 GUGFZMWPHZXOAG-VWLOTQADSA-N 492.668 2.258 10 10 JECE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2C(=O)O)SC1=S 606672089 OWDSDZCCWRMEPG-YFBAIUBQSA-N 461.477 2.090 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028038 OBUWUMHSBOFIBT-NRFANRHFSA-N 480.521 2.136 10 10 JECE O=C(CNC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017529 RDIADHWPPZPWRX-IRXDYDNUSA-N 496.523 2.391 10 10 JECE CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1 35963509 LRDNFSRHYOZBHK-HSZRJFAPSA-N 484.576 2.206 10 10 JECE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCO)[C@@H]2c1ccc(O)c(O)c1 1864015203 MBOLPLFOFRYOPK-LJQANCHMSA-N 464.522 2.420 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865027909 NLMBAWGFFPFVAK-OAQYLSRUSA-N 467.570 2.311 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 2297352258 YGBWOKNCXKBWGZ-UHFFFAOYSA-N 480.521 2.374 10 10 JECE CC(=O)N1C(=O)C(=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c2ccccc21 2297554516 BQTVPMGJDCLWLM-UHFFFAOYSA-N 481.511 2.488 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865034954 IEEBWXDEAMRVCS-FQEVSTJZSA-N 469.586 2.371 10 10 JECE COCCN(C(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 96600719 GJBOEYASVKPITI-FPLPWBNLSA-N 480.997 2.282 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 1862161410 ZXSFKMYZDXQMHL-ONTIZHBOSA-N 478.593 2.458 10 10 JECE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1359384028 NJEUPIHKSFOMFN-RUZDIDTESA-N 470.618 2.410 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2)cc1 743431953 AJFHZGSCRYFNND-UHFFFAOYSA-N 454.527 2.079 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865034211 RMOYFZRDDFQALY-OAHLLOKOSA-N 481.475 2.192 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867856264 PMTHUOIVMIGPBT-PKTZIBPZSA-N 456.562 2.326 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868598969 RXEMTKAMFDCLAK-DVECYGJZSA-N 485.606 2.026 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5cnc[nH]5)ncnc4n3C)CC2)cc1 1875198040 RAWLZPMDZKUKRH-UHFFFAOYSA-N 460.542 2.317 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCC(=O)O 210459509 ZLLLVLVXGJKCBG-SXGWCWSVSA-N 459.505 2.490 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)C(F)F)c3)cc2)CC1 1556199604 PXELGNYOJQXTRH-UHFFFAOYSA-N 451.495 2.281 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(OC(C)=O)cc3)CC2)cc1 1862066082 DKRGQWINSRLROH-JOCHJYFZSA-N 469.563 2.484 10 10 JECE CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008785 RZPZXAUZKBKQGE-HXUWFJFHSA-N 478.505 2.327 10 10 JECE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2293983570 JKKLCWQFMQHSHY-UHFFFAOYSA-N 463.537 2.341 10 10 JECE COC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 8857477 ICGIPDVGXSJCQO-RVDMUPIBSA-N 469.450 2.073 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 205691144 XWDJMFWPFWKRNX-OQLLNIDSSA-N 478.533 2.082 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864008194 FLMQKDONLXTSNH-IBGZPJMESA-N 470.913 2.439 10 10 JECE COc1ccccc1N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865026825 BDHXVINOROUFND-QFIPXVFZSA-N 491.548 2.192 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871579632 CPNTUBNTECYOOM-UHFFFAOYSA-N 467.549 2.036 10 10 JECE CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569830 DIBXSPVQZQCGSW-UHFFFAOYSA-N 474.569 2.482 10 10 JECE CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15360953 KAZBQCZHOKCQNY-UHFFFAOYSA-N 479.624 2.128 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019392 XYKYAMPDPDCEQZ-NRFANRHFSA-N 495.555 2.417 10 10 JECE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867889652 QLPFVOIDTDVSQR-JWQCQUIFSA-N 481.641 2.253 10 10 JECE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC3(CC2)OCCO3)n1 1867952882 CRPHMLQDKJBYGA-UHFFFAOYSA-N 469.586 2.344 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1868789045 BPPQOQONGOWOCZ-KRWDZBQOSA-N 494.013 2.366 10 10 JECE COc1cc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)ccc1O 33723480 HPXZQRIUKYRCEN-LZYBPNLTSA-N 460.489 2.410 10 10 JECE CCOc1ccc(N2CN=c3sc(=Cc4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n3C2)cc1 254606818 KJGFUVLCCMTQTR-UHFFFAOYSA-N 470.507 2.118 10 10 JECE CCN1CCCc2cc(CN(CCCOC)C(=O)[C@@H]3CCN(c4cnn(C)c(=O)c4)C3)ccc21 575314770 MNJVPDLHNFHVHU-JOCHJYFZSA-N 467.614 2.444 10 10 JECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN(Cc4cscn4)CC3)cc2)C1 727600374 IBNRZTNIUNONDS-LJQANCHMSA-N 456.616 2.262 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864013479 XCVSDDNZBGOACB-FQEVSTJZSA-N 478.553 2.003 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@@H]2CCCO2)=C(N)O3)cc1 1864022550 OMTRUANNKLEXHD-FXAWDEMLSA-N 492.532 2.497 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865032782 KRFLDQPLPSPPKS-JOCHJYFZSA-N 489.576 2.374 10 10 JECE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865033789 IBJSATLMIISIGS-OAHLLOKOSA-N 481.475 2.097 10 10 JECE C[C@H](NC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314836521 GGQMMLNCVRHKMD-YUMQZZPRSA-N 459.343 2.334 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 15036213 VTBHGYWYOZMDDW-YVLHZVERSA-N 493.588 2.278 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864008270 HCCBUPFHIZGSIQ-NRFANRHFSA-N 463.538 2.023 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865027585 ZIOMUUAILQGMPY-JOCHJYFZSA-N 493.539 2.259 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027739 KFDVGIABVXAACF-HXUWFJFHSA-N 450.495 2.046 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028114 PSPYEDBONDBRBV-IBGZPJMESA-N 468.897 2.143 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028115 PSPYEDBONDBRBV-LJQANCHMSA-N 468.897 2.143 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCCN(Cc4cscn4)CC3)CC2)cc1 727476742 DMQQQJZVCRLVOE-UHFFFAOYSA-N 458.632 2.191 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865028482 VYIXEJKBXLTFKH-JOCHJYFZSA-N 478.549 2.495 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865031045 XTKYQHUQNFTEPU-LJQANCHMSA-N 456.543 2.335 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CCOC)CCOC)[C@@H]2c1ccc(O)c(O)c1 1865035213 OERCRASACLRGEC-LJQANCHMSA-N 474.558 2.083 10 10 JECE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NCc4ccc(N(C)C)cc4)CO[C@@H]32)nn1 1616129820 LDUOXRVGZHFFKW-BKKFENPESA-N 462.598 2.473 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865029166 HOPHIUJYBLLOEO-FOIQADDNSA-N 456.543 2.184 10 10 JECE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1 1221894310 RDAOBPXFZWUENI-UHFFFAOYSA-N 458.584 2.480 10 10 JECE CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)[C@H](C)C1 1690858727 ZUAGNFQDFSPWTR-OAHLLOKOSA-N 463.633 2.096 10 10 JECE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1705479972 QOLHPSPXQZKLFM-BXKMTCNYSA-N 467.595 2.360 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864021826 HDIGKNOYXGXVSV-CQSZACIVSA-N 469.464 2.096 10 10 JECE COc1cc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc([N+](=O)[O-])c1O 1858588546 LEEQNYAGJWXFPK-OVCLIPMQSA-N 481.533 2.358 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1 1871481746 QYKUDCREHFMJLF-UHFFFAOYSA-N 492.584 2.125 10 10 JECE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 59074276 QKYQZNNGFITFFK-RUZDIDTESA-N 486.638 2.315 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865028131 PYWUQXALRALHLY-OAQYLSRUSA-N 479.512 2.322 10 10 JECE CCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870536268 FHJOIFUPROTFMR-XMMPIXPASA-N 498.624 2.263 10 10 JECE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 2297499943 YUSMODRSOMONSA-UHFFFAOYSA-N 473.330 2.435 10 10 JECE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 33339418 WUZMVCMNMVVEOK-NTCAYCPXSA-N 473.580 2.112 10 10 JECE CCNC(=S)N1CCN(CCN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)CC1 101771010 FHSDMXBBLVPYOX-CYVLTUHYSA-N 471.656 2.394 10 10 JECE Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 208774719 XMPUYQOSFKTQIL-MRXNPFEDSA-N 483.546 2.286 10 10 JECE Cc1cc(C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)n1-c1ccc2c(c1)OCO2 762392419 RIVLBIXQQQDOJL-UHFFFAOYSA-N 483.502 2.046 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)Nc3nnc(C(C)C)s3)cc2)CC1 1634075031 YWMLLEXZSNSXOA-UHFFFAOYSA-N 458.588 2.365 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1749840723 KEBKCAMDQVHDBU-UHFFFAOYSA-N 467.618 2.369 10 10 JECE CCCn1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862017525 VNBDPDKKUKTVQY-NRFANRHFSA-N 470.595 2.131 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccn(C)c3=O)CC2)cc1 1862024529 UWLXTEAJCGXDNG-DEOSSOPVSA-N 492.551 2.223 10 10 JECE CCCN1C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 2040475516 KYRAGWAWIMGRIH-UHFFFAOYSA-N 471.004 2.464 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865030566 MEIWSYSUEYWTID-FQEVSTJZSA-N 488.585 2.473 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864018127 CYWSJCQCMAJKDN-HXUWFJFHSA-N 478.553 2.003 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019680 OSILXJRDMMBGMT-IBGZPJMESA-N 450.495 2.413 10 10 JECE CCOc1ccc(NC(=O)CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742928016 GXODXUYRCTUGDD-UHFFFAOYSA-N 455.559 2.154 10 10 JECE COc1ccccc1C(=O)N[C@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916005 JGSFMMLNIWZNSH-PKTZIBPZSA-N 468.598 2.195 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3cccc(C)c3)CC2)cc1 11796529 JWSFVSRYJUABRC-UHFFFAOYSA-N 461.584 2.041 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 729877955 GXWGIQTYVORQHZ-UHFFFAOYSA-N 453.522 2.241 10 10 JECE Cc1ccc(N2C(=O)[C@@H](/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 1084294093 IGFGILVKNVKGIS-KGZWWPETSA-N 480.477 2.016 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CC(O)C3)n4Cc3ccco3)CC2)cc1 1873563004 CYFJKMAFCHZNGK-UHFFFAOYSA-N 488.548 2.225 10 10 JECE CCN1CCN(c2ncc(-c3ccnc(N4CCN(c5ccc6c(c5)OCO6)CC4)n3)c(C)n2)CC1 54202127 WZHTYJHWLUZDAQ-UHFFFAOYSA-N 488.596 2.439 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864022735 QEIVJQDFLDFZIV-LJQANCHMSA-N 480.521 2.354 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017777 UZZMCUOKMCPROH-HXUWFJFHSA-N 463.538 2.218 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864018613 PCYMTEXCBYUVNX-HXUWFJFHSA-N 479.537 2.478 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@H]2c1ccc(O)c(O)c1 1865029044 DUKASUPPKMUIRP-FQEVSTJZSA-N 455.559 2.260 10 10 JECE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873165014 DCTDYSMPKIQPOC-UHFFFAOYSA-N 466.582 2.132 10 10 JECE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724074 QZUUNSATTHXUOG-OJNRTJSBSA-N 478.621 2.213 10 10 JECE Cc1cc(CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 746424524 MHRKZMOMYYYIDG-UHFFFAOYSA-N 482.606 2.433 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1705961468 YDWQEYWDZZKJDM-LJQANCHMSA-N 450.591 2.406 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019672 OQMYQZKOECRXPT-JLTOFOAXSA-N 464.522 2.097 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865026033 IJGRDWMQEWQERN-QFIPXVFZSA-N 494.523 2.468 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865034727 CLYCWGGLGWAETN-HXUWFJFHSA-N 488.585 2.329 10 10 JECE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO 1871261362 BLGULVNYTNGSSD-UHFFFAOYSA-N 480.565 2.464 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCOCC3)ncnc21 1873557270 MNGQXSHJISPZMR-UHFFFAOYSA-N 494.596 2.275 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2313503313 VXKXVXMHNOHUMT-UHFFFAOYSA-N 469.450 2.468 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc(-c5ncccn5)no4)C3)CC2)cc1 585222402 ASYWZIGUNBKLBG-GOSISDBHSA-N 463.542 2.096 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864010212 KGOKTALAFMEBBP-FQEVSTJZSA-N 469.586 2.471 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019674 OQMYQZKOECRXPT-VLIAUNLRSA-N 464.522 2.097 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865030533 LSABIZLFUZWAPA-HXUWFJFHSA-N 477.521 2.184 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(Cn4nc(-c5ccc(F)cc5)ccc4=O)no3)CC2)cc1 33292488 BKZIYTWHRQZAJZ-UHFFFAOYSA-N 490.495 2.452 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1CCc1ccccc1 137979191 OEZYXBVSAMHHLR-UFXRUVHKSA-N 483.524 2.304 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 210452712 LSQPHBFGTOVPBP-ATVHPVEESA-N 452.554 2.082 10 10 JECE Cc1c(NC=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296113927 DXLQTHACOHGJPK-UHFFFAOYSA-N 465.510 2.363 10 10 JECE COc1cc(C=C2SC(N3CCN(Cc4ccc(F)cc4)CC3)=NC2=O)ccc1OCC(N)=O 2313830371 CNJQUYMPCNPCEV-UHFFFAOYSA-N 484.553 2.487 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O[C@H](C)C(=O)O 2314933037 RNTUNZGZVYBAHM-LLVKDONJSA-N 459.505 2.488 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152148 RNUWFAPTKHCDHI-DHDCSXOGSA-N 478.533 2.082 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)cc1 742910169 AKIXCGIJNHTROL-AFMDSPMNSA-N 485.629 2.070 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)cc1 742910172 AKIXCGIJNHTROL-SIBVEZHUSA-N 485.629 2.070 10 10 JECE Cc1cc(C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)n1-c1ccc(F)cc1 762390718 JGZBGIOUFVKUHM-UHFFFAOYSA-N 457.483 2.457 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865035090 LBFHTSXOSABTPE-IBGZPJMESA-N 455.559 2.124 10 10 JECE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728860435 SCDSRFYFTMRRSK-JOCHJYFZSA-N 490.601 2.201 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017674 RJRMKDXETHWEJJ-RBZFPXEDSA-N 480.521 2.046 10 10 JECE CCc1nn(C)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865402234 RNCQWQZPLIJOTB-NRFANRHFSA-N 474.565 2.430 10 10 JECE CC[C@H](C)N1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040499227 VIRAIWCERBYAEB-AWEZNQCLSA-N 462.597 2.423 10 10 JECE CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCc3ccc(O)c(O)c3)cc1O2 1860286121 BDFUMACXQRIXRJ-UHFFFAOYSA-N 468.506 2.182 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019717 PQWGUNCXUWRNGN-LJQANCHMSA-N 450.495 2.284 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2 35963060 OUMHUQLGXPTWLK-QFIPXVFZSA-N 495.580 2.002 10 10 JECE CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 102447523 YUSMODRSOMONSA-FODWEVITSA-N 473.330 2.435 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(NC(=O)OC(C)(C)C)cn3)cc2)CC1 1466882659 PLBNIRUXCCQUFP-UHFFFAOYSA-N 454.531 2.422 10 10 JECE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C(=O)N2CCOCC2)cc1 2297512438 KNAFWUVRSILYHY-UHFFFAOYSA-N 454.870 2.391 10 10 JECE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 8588791 GLTMKRBWJSPPDT-UHFFFAOYSA-N 493.969 2.192 10 10 JECE CC(=O)[C@H](C)SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1307309080 GOZNYZHVBLMOAI-WIJRQFRKSA-N 452.579 2.443 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)sc(C)c1-c1ccc(Cl)cc1 1860758873 SFRLOIHAYLDWQK-RFAUZJTJSA-N 468.915 2.442 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4ccccc4F)c3)CC2)cc1 1862009524 PLVTXIVPWZVWHI-UHFFFAOYSA-N 478.524 2.123 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4ccccc4F)c3=O)CC2)cc1 1862026840 IRKGQWRVBXHCIG-UHFFFAOYSA-N 478.524 2.123 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865032076 VDTWSKHOOOUTFJ-FQEVSTJZSA-N 494.548 2.314 10 10 JECE COc1cccc(C=C2SC(=S)N(CCNC(=O)CNC(=O)c3ccccc3)C2=O)c1 2320656194 ZQPOMTPVRSGNFP-UHFFFAOYSA-N 455.561 2.443 10 10 JECE CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O 72320691 RWDIIICNJUNRNL-SFTDATJTSA-N 472.630 2.165 10 10 JECE CCCCOCC(CO)(COCCCC)N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 1083974971 NCLZOUPNPBSCPV-ZHZULCJRSA-N 461.559 2.103 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3nc(O)c4ccccc4n3)CC2)cc1 1869047174 XFBIOKIGGCUZAM-QGZVFWFLSA-N 463.538 2.130 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCCOCCO)nc12 2040499104 TZKNUUYKIYUZOI-UHFFFAOYSA-N 486.575 2.418 10 10 JECE CCOc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296926458 NPWSWQCSIQQZGY-UHFFFAOYSA-N 461.478 2.462 10 10 JECE C=CC(=O)NCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1615398055 UOCQBNRUEBZHRO-UKTHLTGXSA-N 454.371 2.069 10 10 JECE COCCN(C(=O)/C=C\c1cc(C)n(-c2cc(C)on2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 96843460 ARHMFJICHMLUTA-FPLPWBNLSA-N 484.557 2.172 10 10 JECE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864018893 CSHKLZCVAXKMRM-OAQYLSRUSA-N 478.549 2.325 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3coc(C)n3)CC2)cc1 1869020634 WJOHCXRBBZALDL-XMMPIXPASA-N 478.549 2.316 10 10 JECE O=C(Nc1c(I)ncnc1I)c1cccc(O)c1O 2121029151 FVMMTEHDFHYYKX-UHFFFAOYSA-N 483.003 2.349 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296706724 LTYNPCKLJDQZGU-OKILXGFUSA-N 488.591 2.292 10 10 JECE O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1)NCc1ccc(N2CCOCC2)cc1 12152120 MAXUAIJFFZIKCH-UHFFFAOYSA-N 463.494 2.017 10 10 JECE C[C@@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)c1ccc(N2CCOCC2)cc1 920865446 CMIQSBRUIPWDEU-SJLPKXTDSA-N 473.551 2.000 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 1083803688 NXSDPOSAOAWHFZ-WTPMCQDGSA-N 475.669 2.181 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008956 VUPPGSZTTURSSU-NRFANRHFSA-N 464.522 2.417 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028662 XMZHXMGQHKUZEF-NRFANRHFSA-N 464.522 2.186 10 10 JECE CC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868818702 ULNQWHCQRYFAET-QFIPXVFZSA-N 478.553 2.142 10 10 JECE O=C(O)CCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15038398 MUQUKAUGTBELAE-WQLSENKSSA-N 459.343 2.337 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028417 UMHHITXCZUOLJO-LJQANCHMSA-N 468.897 2.143 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029678 SRPLFRBRSUDEPN-NRFANRHFSA-N 476.533 2.193 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865030249 GUVHBLFSONYJRW-OAQYLSRUSA-N 491.548 2.309 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865034857 GJRSERQWHGQVFJ-HXUWFJFHSA-N 482.512 2.189 10 10 JECE O=C(NN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S)c1ccccc1 206887475 BGMLWVAFZLYUTD-RGEXLXHISA-N 483.571 2.470 10 10 JECE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)C4=NNC(=O)CC4)cc3)CC2)cc1 1874755666 RGRSBUUVXXXZQQ-UHFFFAOYSA-N 463.538 2.295 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017776 UZZMCUOKMCPROH-FQEVSTJZSA-N 463.538 2.218 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864019047 UVBHIBYVSGQSRI-ZUOKHONESA-N 482.512 2.236 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3O)CC2)cc1 1865525195 DTPWGGFSZOWSFD-QFIPXVFZSA-N 475.549 2.486 10 10 JECE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1 1999156918 DTRRSXQOTFOJBQ-UHFFFAOYSA-N 458.581 2.106 10 10 JECE CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)CC1 33261571 VHBVQDIYFAYHSU-QFIPXVFZSA-N 493.656 2.192 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)CC1 1705987887 NJJYZMNBDSRRGM-UHFFFAOYSA-N 463.586 2.499 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1864008253 GQUGDTZXCYPGKO-SLYKXILGSA-N 466.538 2.034 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccnc3)CC2)cc1 1865387671 FFIHCGGDXFDJFU-OAQYLSRUSA-N 460.538 2.176 10 10 JECE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)CSC3=S)cc2)c1C 1865768263 JEUZXJWNPSXFAD-UHFFFAOYSA-N 454.555 2.281 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3nc(O)c4ccccc4n3)CC2)cc1 1872626596 IGODBVXNSWMGDR-UHFFFAOYSA-N 476.493 2.197 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 1084173813 VXKXVXMHNOHUMT-NTCAYCPXSA-N 469.450 2.468 10 10 JECE CN(C)c1ccc(CN[C@@H]2C[C@@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccc(F)cc4)N3C2)cc1 1614977707 YPFZEOQBIGKEJQ-GMKZXUHWSA-N 467.589 2.019 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3C(C)=CCN3S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1858129539 FNEPGARQMLVNFC-HSZRJFAPSA-N 471.579 2.372 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864014350 SNOZAXFNLZXMJV-NRFANRHFSA-N 499.612 2.046 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccccn3)CC2)cc1 1865373841 NBBWLJDXDCROER-OAQYLSRUSA-N 460.538 2.176 10 10 JECE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(C)n3)CC2)cc1 1869283449 SFNPGHDTHQGJFZ-NRFANRHFSA-N 477.569 2.446 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647701 HGJDCVUWMNGARE-INIZCTEOSA-N 469.977 2.240 10 10 JECE Cc1c(NC=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296933590 WEEXUPRKDOVISY-UHFFFAOYSA-N 463.469 2.240 10 10 JECE CC1CCN(C(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)CC1 2326943742 JFPOXOVDEUYUBI-UHFFFAOYSA-N 473.576 2.338 10 10 JECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1859006035 ZTNJOJZDWQWPKO-UHFFFAOYSA-N 483.502 2.447 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865029374 LUFUBBBJZFOYSK-FQEVSTJZSA-N 456.543 2.184 10 10 JECE CCCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868897874 FJPVJHQANCJGRG-HXUWFJFHSA-N 499.641 2.459 10 10 JECE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1 2297559036 FLRMEFCLOOEBMI-UHFFFAOYSA-N 457.398 2.078 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 247915849 MKHNGULJIRCDHF-RNVDEAKXSA-N 496.516 2.274 10 10 JECE CC(=O)N1CCc2cc(S(=O)(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)ccc21 1463846755 XVRNWADCSFGPGN-UHFFFAOYSA-N 451.495 2.189 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865029633 RVOGQEIGWOKEFS-HXUWFJFHSA-N 472.542 2.365 10 10 JECE COc1ccc(N2CCN(C(=O)c3cn(CCCCN4CCCC4)c(=O)cc3O)CC2)cc1 1870119678 BFIQVXMVPASPRV-UHFFFAOYSA-N 454.571 2.401 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1OC 2297477429 ILITXSRNTGHUGU-UHFFFAOYSA-N 451.570 2.049 10 10 JECE O=C(O)CCCN1C(=O)C(=C2SC(=S)N(CC(=O)O)C2=O)c2cc(Br)ccc21 2297511181 HUAJVZNNWAIPHZ-UHFFFAOYSA-N 485.337 2.317 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152351 RQMFPBISKVVUDK-FFCYNSPCSA-N 492.560 2.471 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2)cc1 727032681 TZGOPZATBFDRDM-UHFFFAOYSA-N 485.551 2.450 10 10 JECE CC(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CC1 1540961149 FBEHWNZGBWPDLY-UHFFFAOYSA-N 463.633 2.212 10 10 JECE CCN(CC)c1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCC(C(N)=O)CC3)C2)cc1 1614931288 NGOYLLDHWVIALK-GMKZXUHWSA-N 456.631 2.484 10 10 JECE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1741051363 WYAHFXNTQHRAMR-UHFFFAOYSA-N 454.619 2.402 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)CC2)cc1 1860309223 PTLBUVQPFIOABE-FQEVSTJZSA-N 467.566 2.452 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017596 PQXHFOJRAHZEPM-FQEVSTJZSA-N 480.521 2.048 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017998 AGJCAODPUBJBJM-FQEVSTJZSA-N 479.537 2.477 10 10 JECE CNC(=O)COc1cn(CCCOC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870568842 WMGKQJLGWYQBDV-UHFFFAOYSA-N 486.613 2.119 10 10 JECE COCCN1C(=O)C(=CNCCCCCc2nc(-c3ccc(C)cc3)no2)C(=O)NC1=S 2040481173 KCHZPYVBLNVQOV-UHFFFAOYSA-N 457.556 2.121 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2109172 XMOQZMYDYWTCTR-VLOXRPPESA-N 479.606 2.215 10 10 JECE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1083973344 YCIIIDJDYGTDMA-JXAWBTAJSA-N 450.451 2.136 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1861930661 HTJHCDPLJJMYSC-INIZCTEOSA-N 457.527 2.188 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862185346 HOJMTIMQSNVHER-DHLKQENFSA-N 492.620 2.328 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864019650 OGXUXCQEDFDCKJ-NRFANRHFSA-N 491.548 2.101 10 10 JECE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2040498241 GCKIKDDQUIDULO-AWEZNQCLSA-N 460.581 2.441 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCCc3ccccc3)CC2)cc1 44441260 GBOGWIZASODABV-UHFFFAOYSA-N 460.600 2.079 10 10 JECE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705509172 BZZUJJJUVSCSRT-KRWDZBQOSA-N 478.594 2.166 10 10 JECE CCN(CC)CCCNC=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2297062100 MJUBLYVDTBYIGE-UHFFFAOYSA-N 470.311 2.079 10 10 JECE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N21 96459525 KVYQWKIWVRHNNI-UMWCEBECSA-N 490.544 2.076 10 10 JECE CC1=NS(=O)(=O)N(CCc2ccccc2)C=C1C(=O)NCc1ccc(N2CCOCC2)cc1 888104776 MFKGHRFHPDZVEP-UHFFFAOYSA-N 468.579 2.287 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CS[C@@H](C)C(=O)Nc3cc(C)on3)cc2)CC1 1138229109 VBMSKEQVUMIYPR-INIZCTEOSA-N 459.572 2.028 10 10 JECE CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870548208 WCSLOXFYMHWJNG-DEOSSOPVSA-N 498.624 2.215 10 10 JECE CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)O)c(OC)c2)C(=O)N(C)C1=O 2297578620 NNPHLDUFOKUFDF-UHFFFAOYSA-N 455.261 2.135 10 10 JECE O=C(O)COc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 2314931186 LYVQKVNMKUSHNQ-UHFFFAOYSA-N 450.519 2.245 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCCC(=O)O 2314931874 IQCGDYCUGROSIH-UHFFFAOYSA-N 459.505 2.490 10 10 JECE COC(=O)c1ccc(C=CC(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2331335858 UNGOKNRIIMOHQE-SFHVURJKSA-N 451.523 2.349 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cccnc3)CC2)cc1 1862113386 UZVDVSRXMWNTPL-DEOSSOPVSA-N 460.534 2.486 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864018607 PBPNQUPSFMXLMK-HXUWFJFHSA-N 487.520 2.018 10 10 JECE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O)C(=O)O 2314927539 GZVREHUVNQBEKT-RYUDHWBXSA-N 453.494 2.448 10 10 JECE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 2314928140 QLOYFXYOVMPGST-CHWSQXEVSA-N 453.494 2.448 10 10 JECE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 96462721 VLKAPIUEODJGFM-MKIIFUPGSA-N 474.480 2.015 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@@H]2CCCO2)=C(N)O3)cc1 1864022551 OMTRUANNKLEXHD-PXNSSMCTSA-N 492.532 2.497 10 10 JECE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc(OC)c1O 2296930565 WWZKMAKLFSFPOS-UHFFFAOYSA-N 457.512 2.431 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@H](C)O)N[C@H]2c1ccccc1O 253382637 ITIZNIKJFPSMJU-HWLKOFOKSA-N 452.507 2.171 10 10 JECE COCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278732 XVDNREWSLVPFSW-QFIPXVFZSA-N 457.596 2.408 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865034709 CEMGTJZIWLLHEG-KXBFYZLASA-N 456.543 2.335 10 10 JECE CC(=O)NCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866799698 OUVOTCKKEXJYBQ-HSZRJFAPSA-N 499.523 2.360 10 10 JECE CCOCCOC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870671169 PMDZQUSYVSQKMB-UHFFFAOYSA-N 473.570 2.158 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)N5CCOCC5)[nH]c4c3)CC2)cc1 1872826316 MFRUGZPHZNWGBV-UHFFFAOYSA-N 495.605 2.485 10 10 JECE COc1ccc(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c(OC)c1 2296943294 BLCIRVYPZAKUMQ-UHFFFAOYSA-N 455.467 2.338 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)cc1 8932975 BKHUDLQBKAWEFE-UHFFFAOYSA-N 488.592 2.225 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 11796520 YAWQGDFYIYIVJZ-LJQANCHMSA-N 461.584 2.121 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)N4CCCCCC4)C3)CC2)cc1 15680878 PMJINOSUKPCXKE-HXUWFJFHSA-N 464.632 2.177 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017800 VKRUGKBBMUBUHX-VLIAUNLRSA-N 464.522 2.346 10 10 JECE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccco1 15934960 ZFIZMFAHNFGOCJ-GEVAWUEVSA-N 474.476 2.129 10 10 JECE Cn1c(=O)c2c(-c3cc4c(cc3[N+](=O)[O-])OCO4)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 33513689 AVTGAIOMPAMYGC-UHFFFAOYSA-N 458.386 2.148 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252676587 XMOQZMYDYWTCTR-QFIPXVFZSA-N 479.606 2.215 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)cc1 742910170 AKIXCGIJNHTROL-BCHFMIIMSA-N 485.629 2.070 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)C1 1301648840 RXLDPGGESZMLDT-MRXNPFEDSA-N 465.649 2.360 10 10 JECE CCn1cc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861980329 KPZVKSZYYLARRD-OAQYLSRUSA-N 472.611 2.077 10 10 JECE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1864009336 FPQMGXITVVLFTL-IBGZPJMESA-N 485.541 2.054 10 10 JECE CCCC[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868823902 SWEZYGHRGGKWAL-UGKGYDQZSA-N 479.643 2.234 10 10 JECE CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccc(O)c(O)c1 20328522 JWMGZRGIHJVJHK-HXUWFJFHSA-N 460.508 2.360 10 10 JECE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 1435219556 DUSKFFLSAAGROU-UHFFFAOYSA-N 459.549 2.393 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)CC1 1638586819 BNKGIRRHQRTVEE-QHCPKHFHSA-N 450.539 2.403 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(-n4cccn4)cc3)cc2)CC1 1663370756 YJAQLIYXCRGHCB-UHFFFAOYSA-N 453.568 2.160 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865027375 HXSFCKJMEFSNLH-QFIPXVFZSA-N 492.532 2.367 10 10 JECE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1760602564 MJRGZKDQJURENQ-CYFREDJKSA-N 453.635 2.388 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 2296545957 CXWIDYNRQNCSMT-CQSZACIVSA-N 492.648 2.459 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NCCOCCO)nc12 2327763 RYLMJOYSPRLRKN-LFIBNONCSA-N 462.597 2.281 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CNC(=O)Cc3cccc4ccccc34)cc2)CC1 1138228798 KZICLKSQYCJYAN-UHFFFAOYSA-N 458.562 2.483 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)cc2C)C1 1540936256 UHZQKCNCKORBAX-FQEVSTJZSA-N 467.618 2.241 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865029371 LQWHHNTZUPYWPZ-LJQANCHMSA-N 455.559 2.033 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cnnn3-c3ccc(OC)cc3)C(C)C)CC2)cc1 1868814272 NJFQEJYSELZKOH-XMMPIXPASA-N 492.580 2.388 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871516179 PSXYZFFNXXCJDH-UHFFFAOYSA-N 453.522 2.306 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCCCCO)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871715192 KMFAPKLHTUUJNJ-UHFFFAOYSA-N 493.612 2.464 10 10 JECE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015257 NLRKBALNJXJOFT-BZNIZROVSA-N 490.438 2.494 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028404 UJJNRTCIQAMZSJ-DYESRHJHSA-N 462.506 2.270 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)cc1 9681510 LNSHZHZLELRLME-SFHVURJKSA-N 462.572 2.050 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cc2)CC1 1634075010 YFMYSKVLTPNWHW-UHFFFAOYSA-N 455.580 2.469 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864009982 HMACQEBXMROQPX-IBGZPJMESA-N 457.575 2.327 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873165153 DYLUVFABIBZMPI-UHFFFAOYSA-N 493.652 2.438 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCOCCO)n4CC(C)C)CC2)cc1 1873578460 MGWROYWCFBIQFP-UHFFFAOYSA-N 496.612 2.161 10 10 JECE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 2294093680 DASOCWOEUKODAM-UHFFFAOYSA-N 472.501 2.475 10 10 JECE O=C(O)CNC(=O)CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O 2314832831 MMHSWLULSNINTC-UHFFFAOYSA-N 494.117 2.154 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)N(C)C)cc1 12026783 WDFBPGPAFZDNPQ-NRFANRHFSA-N 472.611 2.488 10 10 JECE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726712032 HBULUZBITNFMHX-HXUWFJFHSA-N 467.561 2.499 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 1084627969 MSZWCTUAARFOJW-WYMLVPIESA-N 499.476 2.477 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865028365 SUFKURZHCMOORJ-GCJKJVERSA-N 476.533 2.329 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865028905 AQPPKNOEDWMOSW-DNVCBOLYSA-N 456.543 2.242 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865028906 AQPPKNOEDWMOSW-HNAYVOBHSA-N 456.543 2.242 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873166727 XKHNZTNRBRTHLK-QHCPKHFHSA-N 478.593 2.275 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NC[C@@H]3CCCO3)cc1C2=O 1873853533 PIDMJTBYYQRZLA-HNNXBMFYSA-N 451.431 2.221 10 10 JECE O=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179987 UKUHBPIIQPOGFL-UHFFFAOYSA-N 471.469 2.443 10 10 JECE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 2294259229 VFSCCWMHTNHJLR-UHFFFAOYSA-N 456.476 2.087 10 10 JECE Cc1ccc(N2C(=O)[C@@H](C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 2313558610 FTACWOTWDBYNBJ-AWEZNQCLSA-N 496.545 2.181 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864016653 UULNMXOWAMLNCL-LPHOPBHVSA-N 462.506 2.488 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873166940 MABQKEGMEUTWJP-UHFFFAOYSA-N 457.534 2.495 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873170047 MIPCVYNMWRAKMG-UHFFFAOYSA-N 491.636 2.190 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN(C)C)ncnc4n3C)CC2)cc1 1875197258 LPJVGLQEVLDXJJ-UHFFFAOYSA-N 451.575 2.303 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 33390510 ZJJCWVHOTBEGIF-SFQUDFHCSA-N 462.597 2.030 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3csc(C)n3)CC2)cc1 38483714 KCRAPRRWDWCNLO-UHFFFAOYSA-N 478.582 2.356 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864013423 BESKDORJWAPBRD-LJQANCHMSA-N 466.542 2.364 10 10 JECE CNC(=O)COc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870571763 NAUGVYZTIRVBCV-UHFFFAOYSA-N 494.567 2.491 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871685411 IZCAMAGWBMHJAM-UHFFFAOYSA-N 498.582 2.436 10 10 JECE CS(=O)(=O)c1cnn(Cc2c(O)cccc2Br)c1I 2070259257 YKFXXWLWDCAIKO-UHFFFAOYSA-N 457.087 2.408 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2136241498 ZRNFYRXBQYIBEX-HNNXBMFYSA-N 467.519 2.201 10 10 JECE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 33460096 PTAHMHZEUHSBLE-SFQUDFHCSA-N 489.623 2.455 10 10 JECE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cn(C(C)C)cn4)CC3)CC2)cc1 64957705 HEADMLZXCQPGTI-UHFFFAOYSA-N 475.615 2.222 10 10 JECE CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181981 KCKOAHFPYQONOH-SIKLNZKXSA-N 458.603 2.276 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862185349 HOJMTIMQSNVHER-RDGATRHJSA-N 492.620 2.328 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008639 OVVUUKIRBRYFNG-ZUOKHONESA-N 450.495 2.092 10 10 JECE CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866589340 SNAKLGZTKJVHSU-KDOFPFPSSA-N 468.531 2.120 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 2297552047 PRHYRHPRAMGDFL-UHFFFAOYSA-N 460.490 2.379 10 10 JECE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)cc1OC 2314833615 UTUABMGIDOBARX-ZDUSSCGKSA-N 478.548 2.287 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCc3ccc(Cl)cc3)CC2)cc1 44441255 VGKMTZAYWBBSAR-UHFFFAOYSA-N 466.991 2.300 10 10 JECE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865026903 SSBZGNCXAZZXHN-LJQANCHMSA-N 470.526 2.119 10 10 JECE COc1ccc(Nc2nc(=NC[C@@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561286 DWQDFHBTRXRRLD-QGZVFWFLSA-N 465.558 2.174 10 10 JECE Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 33248221 HEVDRGAGZRXLHI-ODLFYWEKSA-N 459.487 2.500 10 10 JECE CC(=O)OC[C@@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 253476024 NXSDPOSAOAWHFZ-KZZRWZIVSA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)CC2)cc1 1858400762 ZPONKDQIILIFQZ-SFHVURJKSA-N 489.594 2.072 10 10 JECE CCC[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869055927 ONWHOPXDTVBARL-GOTSBHOMSA-N 453.587 2.327 10 10 JECE Cc1cc(C=CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2040479930 DBSFGRJMLCPUJV-OAQYLSRUSA-N 471.579 2.167 10 10 JECE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 33349124 KUTQJNHTDYKTEO-LKEVZNATSA-N 459.303 2.045 10 10 JECE CC(C)(C)c1noc(OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 730730538 AHPDZEBQFGUTAS-DHDCSXOGSA-N 490.563 2.492 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@H]3c2ccc(O)c(O)c2)c1 1864011075 DJMQJBVAMOHCQJ-NYHFZMIOSA-N 478.549 2.459 10 10 JECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865034333 UAXWVVUFOVPWGA-CQSZACIVSA-N 470.448 2.166 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865034873 GPJQLNWMYHOHOJ-OAQYLSRUSA-N 490.564 2.100 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCNC(C)=O)CC2)cc1 1868735155 CIOGKPFHPTZABG-DEOSSOPVSA-N 498.649 2.288 10 10 JECE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)CSC3=S)cc2)n1 1865768359 KSZKHSUGEUTNRV-UHFFFAOYSA-N 465.582 2.083 10 10 JECE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ncccn3)CC2)n1 1867952807 ZXBRXOLBZDIXPX-UHFFFAOYSA-N 490.612 2.117 10 10 JECE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN(C)C)ncnc21 1875226857 FFDQEZKCCISGJK-UHFFFAOYSA-N 481.601 2.022 10 10 JECE CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC)C2=O)CC1 2040499237 VOFXLYCWDKKHAB-UHFFFAOYSA-N 473.580 2.194 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)CC1 1138266870 NPCPENJQLZEUME-UHFFFAOYSA-N 456.568 2.296 10 10 JECE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1ccc(O)c(O)c1 1865034238 RYBCBUMQBWTAGT-FQEVSTJZSA-N 492.532 2.278 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868757722 RQZGNNFOEWGJQG-HSZRJFAPSA-N 463.538 2.122 10 10 JECE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)C4=NNC(=O)CC4)c3)CC2)cc1 1874732597 JITYRDZMFBXSHN-UHFFFAOYSA-N 464.522 2.262 10 10 JECE COC(=O)c1cc(OC)c(OC)c(OC)c1NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2297327527 ICGIPDVGXSJCQO-UHFFFAOYSA-N 469.450 2.073 10 10 JECE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O)C(=O)O 2314927538 GZVREHUVNQBEKT-NWDGAFQWSA-N 453.494 2.448 10 10 JECE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 33474232 AUGFJTXWJNOTFH-CLXYIWAZSA-N 474.608 2.265 10 10 JECE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCc3ccccc3)c3cccnc3)CC2)cc1 56896153 RZDGPFMJOTVGQH-SANMLTNESA-N 487.604 2.429 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCCN4CCOCC4)[C@@H]3C2)cc1 169679411 CWZMRJCGVOFGFM-VPUSJEBWSA-N 494.636 2.410 10 10 JECE COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169882005 NDPAXBUNUULBQU-UHFFFAOYSA-N 450.513 2.012 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2)cc1 727033827 XJEGDEVXQHVABG-UHFFFAOYSA-N 471.524 2.060 10 10 JECE CC[C@H](NC(=O)c1cc(C)ccc1S(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904601 JEXJMYHYNIYEMZ-NRFANRHFSA-N 473.595 2.264 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1 1861987794 WLVZRSSWELMFRD-HSZRJFAPSA-N 466.582 2.466 10 10 JECE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871623376 CTJHJBFOKUBFDG-UHFFFAOYSA-N 459.558 2.492 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)cc2)CC1 1447712183 MNBKJPWHJRLWHL-UHFFFAOYSA-N 452.433 2.057 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)CC2)cc1 1858410939 SSZBCHUZYHBGAO-IBGZPJMESA-N 486.594 2.013 10 10 JECE COc1ccc(CC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862303297 PCPRBOKLKIIDKN-JOCHJYFZSA-N 455.580 2.497 10 10 JECE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013057 PDTIAMCHDVJDGL-HXUWFJFHSA-N 482.512 2.237 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864022952 SMIKWXCTDQOQGF-AWEZNQCLSA-N 470.448 2.426 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865032381 BGDLKFOOHLIUMS-HXUWFJFHSA-N 464.522 2.050 10 10 JECE CNC(=O)COc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870570838 AREHXGSQRXLDNI-UHFFFAOYSA-N 492.576 2.058 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871714287 JWDRXTCGMNZONM-QFIPXVFZSA-N 477.569 2.091 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15038176 YCELDZAQJGTXMG-WJDWOHSUSA-N 463.562 2.270 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 39716325 HFOUKGOEUXHDPB-SDAHTHQCSA-N 474.608 2.464 10 10 JECE CC[C@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861990735 XCDOBVFTNKJGES-QFIPXVFZSA-N 454.571 2.370 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)CCCn3nc(C)c4c(C)onc4c3=O)CC2)cc1 65330108 GODHQJFRSAFGIH-UHFFFAOYSA-N 482.585 2.119 10 10 JECE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)cc1OC 101974315 UTUABMGIDOBARX-YDRQLGOLSA-N 478.548 2.287 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 1858591118 YJBDCTXUITZMCW-GZTJUZNOSA-N 450.563 2.492 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862116703 DJVODUDJNWWMKT-QFIPXVFZSA-N 469.563 2.484 10 10 JECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865025718 CHOXTYGELXMVOO-NRFANRHFSA-N 479.537 2.303 10 10 JECE CCOCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870446105 RRQXENRHPLNANW-UHFFFAOYSA-N 473.570 2.158 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871692581 GMYOHWKCFVHHSW-UHFFFAOYSA-N 465.558 2.094 10 10 JECE CCN1CCN(c2c(/C=C3/SC(=S)N(CCCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479019 JTRBFMNZLLGQSR-XMHGGMMESA-N 489.667 2.428 10 10 JECE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812555 DSZNKPHCFUYRPI-RGEXLXHISA-N 489.667 2.428 10 10 JECE CCn1nc(C)c(C=c2sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c1C 254737625 LJFOFUZRXQVZLL-JOCHJYFZSA-N 479.606 2.307 10 10 JECE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1148343322 IXWQWSVZUXVLPU-STZFKDTASA-N 455.561 2.401 10 10 JECE COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 726976975 SWEHQCLMTPSGCN-UHFFFAOYSA-N 489.413 2.171 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2)CC1 1567591795 MGWOORCZKBJYLL-UHFFFAOYSA-N 458.509 2.460 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)CC2)cc1 1858403323 JBVRIDGYOCZGKC-GOSISDBHSA-N 489.594 2.072 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)sc(C)c1-c1ccc(OCC)cc1 1860762836 SUVHLTICECEHJP-DIFFPNOSSA-N 478.523 2.188 10 10 JECE NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014864 FFRMXQXJDSYSGG-INIZCTEOSA-N 490.438 2.496 10 10 JECE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)C1 1865027412 XTQHLVGHSJFFRY-BEFAXECRSA-N 470.526 2.119 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865033606 DPWRAMGJLPWQBX-HNNXBMFYSA-N 481.475 2.099 10 10 JECE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2313631591 SFNNCSLTZYNOKC-UHFFFAOYSA-N 472.501 2.162 10 10 JECE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989927 VQEZFNOMWFUQNP-ATVHPVEESA-N 462.597 2.123 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(F)cc(F)c4)C3)CC2)cc1 1615106928 URPHAGLWYJCGPW-NOZRDPDXSA-N 478.536 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861919653 CQTQZODQHBSBLU-FQEVSTJZSA-N 456.524 2.467 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008426 KCPYZRSBPQKXOG-FQEVSTJZSA-N 497.939 2.192 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020000 UAFKMEOQGRQBIY-FQEVSTJZSA-N 464.522 2.098 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020398 YBBPUBMNCCHPCX-FQEVSTJZSA-N 464.522 2.017 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864022408 VVZCECFCQRFBEA-IBGZPJMESA-N 466.542 2.289 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccc(C)cc3)CC2)cc1 1872628322 UPFGIWBKNVHZNR-UHFFFAOYSA-N 465.510 2.295 10 10 JECE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 2297312767 MXHKFFUQNASUAN-UHFFFAOYSA-N 469.450 2.372 10 10 JECE COCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 33248637 ZABFFOCILKIKTF-DTQAZKPQSA-N 470.580 2.241 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010972 COXNHMFEUJGMOX-LJQANCHMSA-N 470.913 2.108 10 10 JECE COc1cc(C(=O)NCC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 1865872912 DXOOLTOJGDWWDU-QFIPXVFZSA-N 481.553 2.148 10 10 JECE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2053498541 ZLBSYGLDHNFFTF-OAHLLOKOSA-N 472.592 2.220 10 10 JECE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2313631486 ORWMODIFUIPABD-UHFFFAOYSA-N 464.522 2.295 10 10 JECE COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](c4ccccc4)(C(F)(F)F)C3=O)CC2)cc1 726365284 LBOFPANXBKJVHX-QFIPXVFZSA-N 476.455 2.353 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864007860 WKDZNSLCTVSQQA-FQEVSTJZSA-N 497.939 2.192 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864010106 PNFFJBLKLJHHNB-NRFANRHFSA-N 487.520 2.085 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)CCO)[C@@H]2c1ccc(O)c(O)c1 1865033469 ALKSWZZHFDWTDS-CQSZACIVSA-N 470.448 2.114 10 10 JECE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927594 HUZWNNMJIWQCTR-STQMWFEESA-N 453.494 2.448 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCCC(=O)O 210446190 MOTKDBRZARRZMP-JXAWBTAJSA-N 466.581 2.472 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@H]2c1ccc(O)c(O)c1 1864016362 NEPINYLWHGALHZ-IBGZPJMESA-N 472.505 2.275 10 10 JECE NC1=C(C(=O)N2CC(O)C2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031320 DWTQLGWPHUJOLW-INIZCTEOSA-N 488.422 2.200 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871629304 FLZKQPGHBFPCBN-MRXNPFEDSA-N 475.557 2.041 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2200973894 XWHPRMSZLDHYAC-RNODOKPDSA-N 475.464 2.203 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007131 GNBRGHMRSQVOFE-HXUWFJFHSA-N 497.939 2.192 10 10 JECE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015009 HYMFUTPYUSKNLY-ZDUSSCGKSA-N 456.421 2.086 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864016619 UGVRQEZIVJZNPZ-FZKQIMNGSA-N 450.495 2.173 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706967 PWHGEEFWZXAUEE-UHFFFAOYSA-N 480.529 2.143 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N=c1nc(Br)[nH]s1 2180926384 WUJLNOUYLWVKMI-VIFPVBQESA-N 459.322 2.208 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33811847 QJBKVTRQEYUIET-ATVHPVEESA-N 490.607 2.248 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](c3ccccc3F)N3CCOCC3)cc2)CC1 1638587230 LNQRIRBGACBJDO-DEOSSOPVSA-N 454.546 2.184 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1861917883 DUZXRQXMFRMKLW-FQEVSTJZSA-N 456.524 2.467 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccncc3)CC2)cc1 1865402669 MKVATPNLUJWKIH-NRFANRHFSA-N 460.538 2.176 10 10 JECE O=C(O)COc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 2314932794 YUTBKMHIAQVKEZ-UHFFFAOYSA-N 450.519 2.245 10 10 JECE COc1cc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc(Br)c1O 2323831359 AJDWHJQDBVWVKX-QMMMGPOBSA-N 462.299 2.292 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861919654 CQTQZODQHBSBLU-HXUWFJFHSA-N 456.524 2.467 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1864014916 FYBMFULMEWFUNX-AWEZNQCLSA-N 461.400 2.256 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865034726 CLYCWGGLGWAETN-FQEVSTJZSA-N 488.585 2.329 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868038196 BNOUKOREXRYTAO-QFIPXVFZSA-N 478.549 2.390 10 10 JECE COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3[C@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1 1616182449 WVWUZHHMPIMZQJ-NIYJGHKDSA-N 493.652 2.231 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018850 SFORWMYRAIVJTO-FQEVSTJZSA-N 482.512 2.237 10 10 JECE COCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2053497661 PBNWCHYEFCXTMP-UHFFFAOYSA-N 460.581 2.077 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 11796510 YKAOKDLAMHDIMP-UHFFFAOYSA-N 476.555 2.184 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865030923 VCMTZRHJEGMQPU-OAQYLSRUSA-N 497.596 2.288 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865033975 MBIIWZKEEDWJOA-LJQANCHMSA-N 480.521 2.042 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2136253010 IQKHYKKFZFOXOA-CABCVRRESA-N 467.519 2.201 10 10 JECE COc1cc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)ccc1O 2314397390 JJKXMDHLWINWEO-UHFFFAOYSA-N 490.515 2.419 10 10 JECE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927591 HUZWNNMJIWQCTR-CHWSQXEVSA-N 453.494 2.448 10 10 JECE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 101346692 KNAFWUVRSILYHY-QGOAFFKASA-N 454.870 2.391 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 205691487 WZWJWVHOSSKETM-LFIBNONCSA-N 492.560 2.472 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864008952 VTZVBYMPMJORGK-JOCHJYFZSA-N 486.532 2.428 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865029270 JMZGBBTZNXHPOV-IBGZPJMESA-N 455.559 2.031 10 10 JECE COc1cc(C(=O)NCC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 1865872911 DXOOLTOJGDWWDU-JOCHJYFZSA-N 481.553 2.148 10 10 JECE CN(C)c1ccc(CNS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 15720845 WABLEAMCBXZQFE-UHFFFAOYSA-N 456.549 2.484 10 10 JECE Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C1)OCC(=O)N2 35378972 FMPZVJLMOJAHFZ-SFHVURJKSA-N 486.594 2.109 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCN(C(=O)O)CC5)nc(O)c4c3)CC2)cc1 1858564497 PIUSLAXFLCHROV-UHFFFAOYSA-N 492.536 2.106 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1 1865035396 SLIQJKYXDOPBIG-IBGZPJMESA-N 484.553 2.327 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2040500635 KGGICRJRXOYVPM-UHFFFAOYSA-N 487.651 2.464 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)C(=CNCC3(CC(=O)O)CCCCC3)C2=O)cc1OC 2296558763 XVNFXMVXLIZGIS-UHFFFAOYSA-N 473.526 2.223 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCC(=O)O 16915858 ZLLLVLVXGJKCBG-CXUHLZMHSA-N 459.505 2.490 10 10 JECE CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592441 UAIRMLOJLYYAOF-UDWIEESQSA-N 481.530 2.264 10 10 JECE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705533660 YYCZCMKCTVUERX-QGZVFWFLSA-N 461.563 2.068 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009921 NITGUKBABHQHFC-HXUWFJFHSA-N 457.575 2.411 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025668 BKKALMOVYMQDFX-NRFANRHFSA-N 480.496 2.344 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170194 QQELEKWQTLBMJV-UHFFFAOYSA-N 488.592 2.062 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@H](O)[C@H]2O 4097262 ROFMCMXCPNFONV-SFTDATJTSA-N 464.382 2.038 10 10 JECE biogenic,in-vitro COc1ccc(N2CCN(CCCNC(=O)c3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1 9406988 GRJCZRCHXUSUIG-UHFFFAOYSA-N 465.510 2.416 10 10 JECE Cc1ccc(S(=O)(=O)Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 33605901 JHWMOBMLOQRENP-UHFFFAOYSA-N 472.500 2.400 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2)cc1 743362489 DNGFPUBZCIHYIF-VWLOTQADSA-N 485.604 2.329 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008268 HBSXAVJLZMUJRG-FQEVSTJZSA-N 497.939 2.192 10 10 JECE CCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870521554 UQLCEEIHWBFCRO-UHFFFAOYSA-N 486.613 2.121 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871643016 ISFYIPAAJANDLB-UHFFFAOYSA-N 477.613 2.496 10 10 JECE CCCCCCn1c(O)nc2nc3cc(N/C=C4/C(=O)NC(=O)N=C4O)ccc3nc2c1=O 20151872 AJZLIOZCGJIIJW-UHFFFAOYSA-N 451.443 2.128 10 10 JECE COc1ccc(N2CCN(c3nnc(C(=O)NCCN4CCOCC4)c4ccccc34)CC2)cc1 34838518 XWNSNLHDWQVCSI-UHFFFAOYSA-N 476.581 2.027 10 10 JECE CN1CCN(c2ccc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])CC1 1083936059 JELWILZAVHXUSL-CYVLTUHYSA-N 463.494 2.051 10 10 JECE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136257429 ZFUASRPWDUYRHL-HNNXBMFYSA-N 469.535 2.448 10 10 JECE COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2117013 VKRVWENEWDBMJQ-NWRYFCBHSA-N 463.537 2.339 10 10 JECE CCCCN1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 33774710 OKDDJYOURDAMCF-NBVRZTHBSA-N 487.651 2.119 10 10 JECE COc1ccccc1[C@@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 35962982 JJXRYDXVXSZTNP-DEOSSOPVSA-N 493.608 2.282 10 10 JECE COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1 1616182446 WVWUZHHMPIMZQJ-DFZDUAMZSA-N 493.652 2.231 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 1858074060 BGNQQQSIKWYWFE-HSZRJFAPSA-N 464.566 2.319 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CO)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758225 HFLDJHZPWLIOHN-LBPRGKRZSA-N 454.888 2.054 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 1862128941 NSCZPXUFCQQUGP-JOCHJYFZSA-N 484.984 2.418 10 10 JECE O=C(CCc1ncc2ccccn12)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866897270 CZOJYOVFNQMGGY-NRFANRHFSA-N 482.496 2.158 10 10 JECE O=C(O)COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 16906505 AWOBRTHFLYKWER-XNTDXEJSSA-N 450.519 2.245 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252676586 XMOQZMYDYWTCTR-JOCHJYFZSA-N 479.606 2.215 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1 1864010443 SLNDYIOIGJNGSX-HXUWFJFHSA-N 499.568 2.444 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 2313548364 UDWQYNJIEBKVJO-UHFFFAOYSA-N 479.493 2.412 10 10 JECE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCCC(=O)O 16912066 IQCGDYCUGROSIH-MHWRWJLKSA-N 459.505 2.490 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N=c4cc(C)o[nH]4)n4ccccc34)CC2)cc1 1858245520 LSMXUTPAJJZBEM-UHFFFAOYSA-N 460.494 2.276 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccccc3F)CC2)cc1 1870669959 KSGVJMKHTIGKQX-UHFFFAOYSA-N 480.540 2.231 10 10 JECE O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(O)c(O)c1 34858121 MIOFFUAYTXMYJQ-UHFFFAOYSA-N 469.357 2.440 10 10 JECE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35518700 JTKZOKYOAAFIHJ-JXAWBTAJSA-N 487.563 2.340 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC3=NS(=O)(=O)c4ccccc43)C(C)C)CC2)cc1 108527399 NFHNMGHZTGCTQT-NRFANRHFSA-N 456.568 2.107 10 10 JECE C=CC(=O)NCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1615398054 UOCQBNRUEBZHRO-LCYFTJDESA-N 454.371 2.069 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 1622026451 CJIKUZOUFNYOIT-UHFFFAOYSA-N 452.920 2.395 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccn(CC(C)C)c3=O)CC2)cc1 1862019748 XRDFASMKKXCVAM-UHFFFAOYSA-N 454.571 2.370 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865027814 LPANQMSALIWYHF-NRFANRHFSA-N 461.522 2.183 10 10 JECE COCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 103555600 FCMWHUORSXJOFF-ATVHPVEESA-N 464.453 2.209 10 10 JECE COc1cc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)cc(OC)c1OC 1858044177 KCOKYXLHQWXQMN-UHFFFAOYSA-N 475.567 2.179 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864009498 IKUCRAMHYJXALG-IBGZPJMESA-N 452.515 2.035 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3cccnc3)N(C)C)CC2)cc1 1869056286 SFMJJVYAJUSGGK-DHIUTWEWSA-N 485.654 2.280 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCCCO)cc1C2=O 1873854020 JTWXWHTWLIBANP-UHFFFAOYSA-N 453.447 2.205 10 10 JECE C[C@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15048655 GGQMMLNCVRHKMD-DZAGLTBCSA-N 459.343 2.334 10 10 JECE Cc1ccc(N2C(=O)/C(=C/NCCN3CCN(C(=O)c4ccccc4)CC3)C(=O)N=C2S)cc1 103127825 WSNXYTGMJFNUEV-HEHNFIMWSA-N 477.590 2.086 10 10 JECE CC(=O)O[C@H]1[C@H](CN=[N+]=[N-])O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1083817437 BLXLRJMPROSYSS-HHHUOAJASA-N 475.669 2.181 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CC1 1595944912 PULKQJWTUBMKCX-MRXNPFEDSA-N 498.700 2.266 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)C1 1760587249 SZKLJHTYISNWBB-QGZVFWFLSA-N 477.660 2.344 10 10 JECE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C)C2=O)CC1 2040499290 WUZMVCMNMVVEOK-UHFFFAOYSA-N 473.580 2.112 10 10 JECE O=C1C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2053497961 UDFDCNJUEKECJH-UHFFFAOYSA-N 472.548 2.110 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15047602 DVWQTIAUDNSGLC-OKHBPPCESA-N 463.562 2.268 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N1CCOCC1 206835535 DMWQHXUTXHXZJM-AQTBWJFISA-N 494.591 2.087 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869971154 ZPQMTCRWLBCKPA-GOSISDBHSA-N 490.630 2.348 10 10 JECE CCCCOCCOC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944764 QHZZWKWVHLMRGX-UHFFFAOYSA-N 492.575 2.439 10 10 JECE Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(C)C3=O)oc2N2CCOCC2)cc1 2249465 IYNXEIQERNLJQA-SDNWHVSQSA-N 465.578 2.483 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccc(C)cc3)CC2)cc1 1870669794 VXDRUHUIIZBHDA-UHFFFAOYSA-N 476.577 2.400 10 10 JECE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2053498540 ZLBSYGLDHNFFTF-HNNXBMFYSA-N 472.592 2.220 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NCCN3CCOCC3)nc12 2053515990 SVVAUQIGPKIZSD-UHFFFAOYSA-N 473.624 2.357 10 10 JECE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 2294095293 OJPVTFNVKDOOJW-UHFFFAOYSA-N 472.501 2.475 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)NCCOC)c4ccccc34)C2=O)cc1 6173969 QTVRWXXJMIOFTC-STZFKDTASA-N 490.516 2.469 10 10 JECE O=C(O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)Nc3ccccc3)C2=O)c2ccccc21 34847842 KMJMMVKLPLEICV-FOCLMDBBSA-N 454.489 2.426 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1760574604 MPGLDPGRRSVRCX-NRFANRHFSA-N 453.591 2.099 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CO)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758224 HFLDJHZPWLIOHN-GFCCVEGCSA-N 454.888 2.054 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(C)ccc3S(C)(=O)=O)CC2)cc1 1861904036 FRKHUDMJMVDWIO-JOCHJYFZSA-N 485.606 2.361 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028405 UJJNRTCIQAMZSJ-LAUBAEHRSA-N 462.506 2.270 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 1359379926 CKQQAEXYNIPGFD-GOSISDBHSA-N 485.658 2.075 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1865026002 HQKWTVYHPWXUMJ-GOSISDBHSA-N 487.557 2.430 10 10 JECE CCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868897871 FITADDRWSRQPFP-IBGZPJMESA-N 485.614 2.069 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873544936 CZULJICQBBNYHQ-UHFFFAOYSA-N 491.596 2.124 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831379 JRFMXKYBTOWNNN-UHFFFAOYSA-N 493.588 2.365 10 10 JECE CCOC(=O)N1CCN(c2c(/C=C3/SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33460090 HZZZLLXXOVFOCB-LFIBNONCSA-N 475.596 2.065 10 10 JECE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990270 RBNQZKRGWGZTFG-NOBCAVNASA-N 490.607 2.338 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(F)c(F)c(F)c4)C3)CC2)cc1 1615104523 GCUQXTUUDVHNJQ-WIOPSUGQSA-N 496.526 2.321 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1690792771 SRCSMWXDBZXUDA-IRXDYDNUSA-N 498.700 2.124 10 10 JECE C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCc4ccc(O)c(O)c4)cn1c23 1860344513 ZTJULRQCHASKLI-OAHLLOKOSA-N 496.539 2.230 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864007861 WKDZNSLCTVSQQA-HXUWFJFHSA-N 497.939 2.192 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026401 MYZHPASYHIYSNC-HXUWFJFHSA-N 482.924 2.202 10 10 JECE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(CCCN(C)C)C4=O)CC2)cc1 1867923524 JOAZCGGFDYIIPD-UHFFFAOYSA-N 450.539 2.205 10 10 JECE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314759311 AYVLWGHWVIJNNQ-UHFFFAOYSA-N 494.591 2.087 10 10 JECE COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 726561555 DVGCEZOUCXIFAE-UHFFFAOYSA-N 462.528 2.057 10 10 JECE Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NCc3ccc(N(C)C)cc3)CC1)OCC(=O)N2 32958679 VCJDWQKCSYUQLU-UHFFFAOYSA-N 486.594 2.109 10 10 JECE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106264212 KNSAGTARYZHWLR-HSZRJFAPSA-N 461.566 2.104 10 10 JECE COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NC3CC3)[C@@H](/C=C/CO2)C1 106939536 GNEULHXKMQVOSX-PBZAXZLPSA-N 496.652 2.473 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)cc2)CCN1 107798215 MUZXCJWDKYFBKE-GOSISDBHSA-N 474.483 2.307 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722751647 JTZIDHTXBRFPEI-GOSISDBHSA-N 454.554 2.237 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860761503 WIKZVOOTJSISMW-CYBMUJFWSA-N 462.480 2.110 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@@H]2c1ccc(O)c(O)c1 1864010267 QXMMXQXDYMRBCJ-LJQANCHMSA-N 452.515 2.110 10 10 JECE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCO)=C(N)O3)cc1 1864017786 VEYLCPFGEAXJJY-FQEVSTJZSA-N 494.548 2.429 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865038983 ZRHAWCSPXABURT-YWZLYKJASA-N 470.570 2.438 10 10 JECE COc1cc(OC)cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396037 KZWBHIPMDPHDIY-LOSJGSFVSA-N 498.624 2.204 10 10 JECE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ncccn3)CC2)n1 1867956635 NPTUPSMZSYAIHV-UHFFFAOYSA-N 460.586 2.491 10 10 JECE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO 1871261972 FXIIUCLGMWXTCU-UHFFFAOYSA-N 466.538 2.074 10 10 JECE CC(C)CCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040498780 PGXVECFFZPUBOK-UHFFFAOYSA-N 462.597 2.363 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008155 DOYKIMRABMXAAS-HXUWFJFHSA-N 450.495 2.108 10 10 JECE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1864019015 UGWPYMJHGLWSKU-LJQANCHMSA-N 499.568 2.308 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865034514 YCCQXVJKJXFOHB-BXUZGUMPSA-N 468.432 2.011 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)CC2)cc1 2330567347 SZNNYCUVVKOIMO-GOSISDBHSA-N 481.549 2.496 10 10 JECE COc1ccc(N2CCN(C(=O)CCn3nc(C)c(S(=O)(=O)N4CCCC4)c3C)CC2)cc1 8616569 IPKKEYVKSKHINO-UHFFFAOYSA-N 475.615 2.032 10 10 JECE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCCO)cc1 95471031 BUYJHNHMLPCOMK-PDGQHHTCSA-N 479.356 2.438 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)COc3cccc(N4CCCC4=O)c3)cc2)CC1 1632945564 OYISLVWAJZNVKK-UHFFFAOYSA-N 450.539 2.177 10 10 JECE COCCn1c(C(=O)NCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873592082 NPKCQZLRUWXHAH-UHFFFAOYSA-N 496.612 2.305 10 10 JECE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(I)o1 2294094921 DPPWRHMRFVOYFV-UHFFFAOYSA-N 452.160 2.279 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)cc1 1860761494 VXJGLRAQIIHHJG-ZDUSSCGKSA-N 462.480 2.191 10 10 JECE CCN(CC)CCNC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870535230 LRUJWUTUFKMCCT-UHFFFAOYSA-N 499.656 2.036 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccc(F)cc3)CC2)cc1 1872634353 PYJPJMUOFVSSLM-UHFFFAOYSA-N 469.473 2.126 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 15036230 YZDYLMGGPRFCJK-DHDCSXOGSA-N 451.526 2.313 10 10 JECE CN(C)c1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 21529324 KXCFKECLITVXQX-QHCPKHFHSA-N 493.029 2.085 10 10 JECE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724321 CMOWGOYQCVXMST-WDGDVPDHSA-N 478.621 2.295 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@H](CCC(=O)NCc2ccccc2)N3C)cc1 1616127160 HRNAEOUEYGGOFQ-BFLUCZKCSA-N 463.626 2.222 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1864012629 FNXGUOHLUMWXCG-YCRPNKLZSA-N 492.532 2.435 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@@H]2c1ccc(O)c(O)c1 1864023153 UUXIRIGNEMWWTM-OAHLLOKOSA-N 492.458 2.431 10 10 JECE COc1cc(/C=C2/SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 210682952 PXZGDOKFVGDZNQ-XNTDXEJSSA-N 468.553 2.372 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc1 742916151 DHWGHLPWCYSKSR-HSZRJFAPSA-N 464.566 2.254 10 10 JECE Oc1ccccc1CN[C@@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H]1O 1615259189 DKWLIICYZCUBNZ-HJNYFJLDSA-N 451.489 2.451 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O)sc(C)c1-c1ccc(OCC)cc1 1860762835 SUVHLTICECEHJP-APPDUMDISA-N 478.523 2.188 10 10 JECE COCCNC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870969367 MHGQAWPPOGKFFO-UHFFFAOYSA-N 466.538 2.338 10 10 JECE NC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871118119 BIONYVJCKQVNBT-UHFFFAOYSA-N 452.511 2.077 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCc3cnnn3Cc3ccccc3)CC2)cc1 1872681360 AYRWFLFZXQPGPH-UHFFFAOYSA-N 475.509 2.259 10 10 JECE COc1cccc(/C=C2/SC(=S)N(NC(=O)Cc3nn(C)c(=O)c4ccccc34)C2=O)c1O 34909001 XCYWLPONIGHSFC-LICLKQGHSA-N 482.543 2.123 10 10 JECE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40938824 ZHJLNBVYJMSIMK-NBVRZTHBSA-N 478.592 2.469 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861997271 MXMCUXZUPLECFD-QFIPXVFZSA-N 450.583 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)cc1 1862185351 HOJMTIMQSNVHER-WIOPSUGQSA-N 492.620 2.328 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867856262 PMTHUOIVMIGPBT-DHIUTWEWSA-N 456.562 2.326 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 2296885486 WZVNSDRDRQFFNZ-AWEZNQCLSA-N 452.579 2.104 10 10 JECE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314408578 JAYYCKRQEWIZOO-ZDUSSCGKSA-N 478.621 2.151 10 10 JECE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314768062 CAUSINWZAPFGHI-UHFFFAOYSA-N 473.370 2.184 10 10 JECE O=c1c(=Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)sc2nc3ccccc3n12 252676566 XLKOUJGIRCXZKS-UHFFFAOYSA-N 493.545 2.038 10 10 JECE CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743431992 CKSGCTHJTOWAHE-UHFFFAOYSA-N 483.569 2.165 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)cc1 1862274897 UGFVHYTUKDNVLU-OAHLLOKOSA-N 471.470 2.287 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019675 OQMYQZKOECRXPT-XOBRGWDASA-N 464.522 2.097 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864023463 ZIXAFDVSCPNMGX-FZMZJTMJSA-N 468.432 2.323 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)cc(OC)c4)n(C)n3)CC2)cc1 1869969148 HFMAXJLFMXKJEG-UHFFFAOYSA-N 452.515 2.420 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(NC(=O)OC(C)(C)C)nn3C)cc2)CC1 1466882033 GRUVKALYQIKQSC-UHFFFAOYSA-N 456.547 2.366 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864008967 VXJKBBDFRSGVGV-WYRIXSBYSA-N 470.913 2.437 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864020114 WHGLVQDJVMDJIY-IBGZPJMESA-N 450.495 2.413 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026626 QLGLDEIGQWDPRK-QFIPXVFZSA-N 493.539 2.259 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865028946 BTSRTJQABFYSOM-JXFKEZNVSA-N 456.543 2.471 10 10 JECE O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017813 XMXVNFZMKXPMAD-UHFFFAOYSA-N 480.480 2.317 10 10 JECE COCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 97447329 DKAAFBPMMFXNSL-FYWRMAATSA-N 462.622 2.485 10 10 JECE CCn1cccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018887 DXZPWRITYFILAS-OAQYLSRUSA-N 472.611 2.077 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864011244 SEMXLNCEQVAEHD-HXUWFJFHSA-N 480.521 2.048 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012285 WTXCGYBAFAEWBV-LJQANCHMSA-N 470.913 2.108 10 10 JECE COc1cc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc([N+](=O)[O-])c1O 2323686534 LEEQNYAGJWXFPK-UHFFFAOYSA-N 481.533 2.358 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4ccc(F)cc4)C3)CC2)cc1 1858409079 OXZSYTHASKCDOR-IBGZPJMESA-N 461.559 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(O)c3)CC2)cc1 1865042360 VDJNWTNCBLHSOE-JOCHJYFZSA-N 475.549 2.486 10 10 JECE CCCC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868823899 SWEZYGHRGGKWAL-DENIHFKCSA-N 479.643 2.234 10 10 JECE CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 255990857 NUCMFNFBECGZSA-NBYDKTAJSA-N 489.437 2.311 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 743287309 HIVYUBUHTIUAHX-UHFFFAOYSA-N 475.615 2.326 10 10 JECE CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2CC1 1672052011 DCDASCCNKFWMGK-XMMPIXPASA-N 458.628 2.281 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008230 GITUYPIEPXICJY-FQEVSTJZSA-N 450.495 2.358 10 10 JECE CSCC[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867022549 NCNBWJONWPTFPW-GOSISDBHSA-N 488.587 2.073 10 10 JECE CCN(CC)CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716157 ZWYLPGKXONVPPB-UHFFFAOYSA-N 492.628 2.254 10 10 JECE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314414457 ZPAHFCRBEKTILT-CYBMUJFWSA-N 478.621 2.213 10 10 JECE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 15047560 DKMUUDGYYLZXSO-VBYYMIJXSA-N 493.588 2.277 10 10 JECE O=C(O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)Nc3ccccc3)C2=O)c2ccccc21 15906213 KMJMMVKLPLEICV-NXVVXOECSA-N 454.489 2.426 10 10 JECE CN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 33406480 MBDASRUHCYNPLP-GHRIWEEISA-N 467.576 2.441 10 10 JECE COc1ccc(N2CCN(C(=O)CN3CCN(c4ccc(OC)c(OC)c4)C3=O)CC2)cc1 49386997 STWQWXMGBGNDIT-UHFFFAOYSA-N 454.527 2.303 10 10 JECE CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 58094894 OBTNYWKEIBOKBA-QFIPXVFZSA-N 452.555 2.138 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cn(C)nc4C)c(=O)n32)cc1 254512657 PKXDNNXWXISGIU-QFIPXVFZSA-N 479.606 2.296 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865033192 UIUNHHOJTPKQGC-FQEVSTJZSA-N 464.522 2.109 10 10 JECE CC(C)(C)OC(=O)NC1CCN(c2cccc3c2C(=O)[C@@H]([C@H]2CCC(=O)NC2=O)C3=O)CC1 1887521608 BSOIYJWQMROABK-BEFAXECRSA-N 455.511 2.228 10 10 JECE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NCCCN1CCOCC1 2297349600 PAVQZDIGKUHMIO-UHFFFAOYSA-N 477.608 2.235 10 10 JECE CN(C)c1ccc(/C=C\CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 207966782 BXAGFUIDJXGMCJ-SREVYHEPSA-N 466.611 2.394 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccn(C)c3=O)c3ccccc3)CC2)cc1 1862023686 FJYIRADOUIUQLD-QHCPKHFHSA-N 460.534 2.214 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865419473 UKILPPHBKJYSOX-OAQYLSRUSA-N 474.565 2.430 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15040156 JRFMXKYBTOWNNN-YVLHZVERSA-N 493.588 2.365 10 10 JECE CCOc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40320217 ZATBRNYPGKJSBC-PKTZIBPZSA-N 490.622 2.393 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254874304 JYWCHZIFXMCZBE-OAQYLSRUSA-N 465.579 2.081 10 10 JECE Cn1c(=O)c2c(nc(N/N=C/c3ccc(O)cc3O)n2Cc2cccc3ccccc23)n(C)c1=O 606671923 HDYZKZGILLTRNB-LGJNPRDNSA-N 470.489 2.492 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865035575 XBLHNIOZJOWESO-LJQANCHMSA-N 456.543 2.191 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871594810 UGVXTXWYELWRQT-UHFFFAOYSA-N 476.629 2.385 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC6(CC5)OCCO6)ncnc4n3C)CC2)cc1 1873543744 BVRXMKCHYQDENF-UHFFFAOYSA-N 492.580 2.283 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCO)ncnc21 1875220881 PIFDEJHDOAXOGG-UHFFFAOYSA-N 482.585 2.233 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(Cc2ccccc2)C1=O 2296247591 HQBXNMRXJUFSME-HXUWFJFHSA-N 462.531 2.169 10 10 JECE COc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)O 2297362906 MSRXLWKTHOJBTA-UHFFFAOYSA-N 475.797 2.387 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864017013 CHONUIYXHJEPON-LJQANCHMSA-N 450.495 2.039 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865034707 CEMGTJZIWLLHEG-DNVCBOLYSA-N 456.543 2.335 10 10 JECE C[C@@H](NC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O 2314827331 BTVJBSRTLWJMFR-MRVPVSSYSA-N 459.343 2.335 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314827593 IEBSZIMSCKKCCQ-UHFFFAOYSA-N 463.562 2.270 10 10 JECE C[C@H](NC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O 15038787 BTVJBSRTLWJMFR-VQLBTBKJSA-N 459.343 2.335 10 10 JECE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33467686 VKKXZBDTTVDLOE-QGOAFFKASA-N 475.640 2.038 10 10 JECE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40320215 ZATBRNYPGKJSBC-DHIUTWEWSA-N 490.622 2.393 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cc(OC)c(OC)cc3OC)CC2)cc1 916233844 ACMWGWFHOXRQOS-UHFFFAOYSA-N 458.559 2.342 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864007011 DAOHBADPSHCNPV-NSPYISDASA-N 470.913 2.437 10 10 JECE CCc1sc(NC(=O)[C@H](O)[C@@H](O)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865945816 CGWRECPDTIOANM-ZIAGYGMSSA-N 472.313 2.272 10 10 JECE CC(=O)Oc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722100 IPCCWQXHOFIIGH-JWQCQUIFSA-N 496.608 2.112 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 33803526 VIRAIWCERBYAEB-AOHITCTBSA-N 462.597 2.423 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 206855383 DOLFSYPVTFOFRO-AQTBWJFISA-N 494.591 2.389 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1690792770 SRCSMWXDBZXUDA-IAGOWNOFSA-N 498.700 2.124 10 10 JECE O=C(O)CN1C(=O)C(=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c2ccccc21 2314539080 KLZAVRAISRROIC-UHFFFAOYSA-N 484.467 2.290 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)cc1 9528423 SKBAYDINSATBIG-QFIPXVFZSA-N 494.683 2.388 10 10 JECE O=C1/C(=C\c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 23042551 WYGOEGPTXUIKFN-NBVRZTHBSA-N 497.602 2.433 10 10 JECE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1705876341 VNSMIQIQQCLIDD-HXUWFJFHSA-N 478.594 2.043 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)c3)CC2)cc1 1861994122 YNEYYKMPBASMGX-UHFFFAOYSA-N 478.524 2.123 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030603 MSMHBYQPMXDQSU-KKSFZXQISA-N 491.548 2.309 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865033868 JHNAUMZTLPDYOB-HNNXBMFYSA-N 498.458 2.439 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccccc3)CC2)cc1 1870667199 UBQLZSYXKYNRCL-UHFFFAOYSA-N 462.550 2.092 10 10 JECE O=C(O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 2297363855 DBKXUCKOKVHLLG-UHFFFAOYSA-N 490.222 2.487 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1864019523 KZNDZYGGZNNQSC-XOBRGWDASA-N 478.505 2.045 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2 1865029170 HRZHRVMUCWINGR-IBGZPJMESA-N 484.553 2.280 10 10 JECE CCCNC(=O)c1cccc(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 742939439 FEQCXZWWPWSKBO-UHFFFAOYSA-N 453.587 2.456 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865025847 FBSKESFDZCFVFH-OAQYLSRUSA-N 478.505 2.308 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3cccnc3)N(C)C)C(C)C)CC2)cc1 1869045165 UEHZEFKGWSREIA-GOTSBHOMSA-N 453.587 2.183 10 10 JECE O=C(C1CC1)N1CCN(CCNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC1 2297325977 HQBWJQAJBRUGND-UHFFFAOYSA-N 488.548 2.373 10 10 JECE CN(C)c1ccc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1Br 20356653 HQXBZNCQXWLFFZ-PJPVWUKMSA-N 463.361 2.424 10 10 JECE Cc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867826439 XWQQEYWQHIYXDR-RPWUZVMVSA-N 452.599 2.495 10 10 JECE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1 20207587 MCGZSOCCRZUXBX-FZKGXIISSA-N 458.477 2.354 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861963947 MZFGYKUUNCXFPA-RUZDIDTESA-N 464.610 2.413 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@H]2c1ccc(O)c(O)c1 1864023151 UUXIRIGNEMWWTM-HNNXBMFYSA-N 492.458 2.431 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026015 HVRNKARSHLIISE-LJQANCHMSA-N 499.568 2.397 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccnc3)CC2)cc1 1865387670 FFIHCGGDXFDJFU-NRFANRHFSA-N 460.538 2.176 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1868782104 CXKBSYIWTWKMGF-LJQANCHMSA-N 464.566 2.292 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O 2296330972 LTHPARAGBNYZON-LJQANCHMSA-N 492.488 2.026 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc4c(=O)n5c(nc4c3)CCCC5)CC2)cc1 15677513 GDJQCUPABUIRFT-UHFFFAOYSA-N 461.566 2.293 10 10 JECE CN(C)c1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 21529326 KXCFKECLITVXQX-HSZRJFAPSA-N 493.029 2.085 10 10 JECE COC(=O)c1cnn2c(O)cc(CSc3nc4c(=O)[nH]cnc4n3-c3ccc(C)cc3)nc12 46031459 FIMYZVNDZKJSEY-UHFFFAOYSA-N 463.479 2.244 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 102824396 YYIOIPWTPZNMCM-HZGBGQKMSA-N 487.651 2.117 10 10 JECE CC(=O)NS(=O)(=O)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721063 FFQMEOLNWHTEQN-UHFFFAOYSA-N 490.763 2.361 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010975 COXNMHIXBUTDBO-MPBGBICISA-N 484.940 2.496 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865030517 LNLQQZXVFROFFM-LJQANCHMSA-N 458.559 2.438 10 10 JECE CCOC(=O)COc1cn(CCCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870694012 LIPBGMAATNPIAB-UHFFFAOYSA-N 473.570 2.158 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 59383152 IXICNQXZZJLPNK-VBKFSLOCSA-N 483.477 2.464 10 10 JECE CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCOCC3)ccc21 1858074047 AVIMELQCUYSTRM-XMMPIXPASA-N 472.611 2.013 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cc(C)ccc4OC)C3)CC2)cc1 1858401347 GMNLLZLYCUDGHO-IBGZPJMESA-N 473.595 2.372 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864021822 HDIGKNOYXGXVSV-AWEZNQCLSA-N 469.464 2.096 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026523 OWNRHLOHWCXDGM-HXUWFJFHSA-N 484.940 2.450 10 10 JECE CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866589341 SNAKLGZTKJVHSU-KSSFIOAISA-N 468.531 2.120 10 10 JECE Cc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867826438 XWQQEYWQHIYXDR-DNQXCXABSA-N 452.599 2.495 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)COc4cc(F)ccc4F)n(C)n3)CC2)cc1 1869969899 XQNTVBINHNYIHR-UHFFFAOYSA-N 458.469 2.446 10 10 JECE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 20568920 NHSSIMREKCPHKV-FBHQFGEZSA-N 463.559 2.483 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)CC2)cc1 743362563 FRQLEECPUPIHBB-NRFANRHFSA-N 471.646 2.497 10 10 JECE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864008037 AOQHQGCLCPLVEH-HXUWFJFHSA-N 466.494 2.038 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016430 PAYMWMJCJHQCEV-GOSISDBHSA-N 450.495 2.346 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865030477 KNIPUQBIOISMJF-LJQANCHMSA-N 456.543 2.456 10 10 JECE CN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865031307 DTYNRFFRMVHIER-MRXNPFEDSA-N 490.438 2.448 10 10 JECE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 39989610 QRGQJQGBHOODIO-DVESDOJUSA-N 490.607 2.245 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 103040595 ICXKTODXZHFIEE-YSKWHIJTSA-N 468.622 2.322 10 10 JECE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)CC1 1705642168 JCDZFTTWGBHXGA-UHFFFAOYSA-N 477.638 2.448 10 10 JECE CCc1sc(NC(=O)C(=O)N[C@@H](CO)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763972 UPOMUJQBTWLKHM-NSHDSACASA-N 499.339 2.027 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1 1864008636 OVVUUKIRBRYFNG-RBZFPXEDSA-N 450.495 2.092 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018299 HWMWUIASFUYDEE-HXUWFJFHSA-N 482.512 2.237 10 10 JECE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)C1 1865035676 YXGWJKZBMVHYQM-HNAYVOBHSA-N 484.553 2.373 10 10 JECE CN1C(=O)C(=Cc2cn(CC(=O)O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509082 UAIRMLOJLYYAOF-UHFFFAOYSA-N 481.530 2.264 10 10 JECE CC(=O)N1CCN(C(=O)CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 1632042592 RPOBNJFTUWUJDD-UHFFFAOYSA-N 455.559 2.138 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@H]3c2ccc(O)c(O)c2)c1 1864011486 IEOSGIBNIQVZKL-QFIPXVFZSA-N 478.549 2.461 10 10 JECE CN(C)c1ccc([C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1866120653 FXNPWQGUUTWZEU-FYYLOGMGSA-N 492.580 2.252 10 10 JECE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35518703 JTKZOKYOAAFIHJ-NBVRZTHBSA-N 487.563 2.340 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)CC1 1466882668 PMZUDWXCSUDCRF-UHFFFAOYSA-N 451.495 2.281 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865033385 YOLWPRDAOXQJTM-OAQYLSRUSA-N 476.533 2.111 10 10 JECE CC(=O)Oc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301621 FLIMEFXBGFTUQQ-LOSJGSFVSA-N 496.608 2.112 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)CNC(=O)c4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869969126 FXBKXCQFJZQIKQ-UHFFFAOYSA-N 483.960 2.172 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1862134295 IYFQFVJOCQEGBI-QFIPXVFZSA-N 486.594 2.020 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccccc3OC)CC2)cc1 1862268606 XCJCKDBSUHUQRM-OAQYLSRUSA-N 453.539 2.422 10 10 JECE COc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1 1865027773 KWKLPZMKBYXNDI-QFIPXVFZSA-N 491.548 2.192 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=O)N(c4ccccc4C)C1=O)N(C)CC3)OCO2 2297639522 YPFSTCHJONPCIR-SFHVURJKSA-N 478.505 2.018 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O 248224896 IVOZAGMAVVQRSG-USTRSKKPSA-N 468.506 2.217 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCS(C)(=O)=O)CC1 1690836479 FURILYONAKVHSB-UHFFFAOYSA-N 484.626 2.456 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1 1864009247 CSMUCVVXDPVGIO-HXUWFJFHSA-N 464.478 2.362 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3C[C@H](C)O)CC2)cc1 1870548375 DTFFEWVQXRXUJY-FQEVSTJZSA-N 459.587 2.364 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871668075 IADUBXFDUITLDG-HSZRJFAPSA-N 491.596 2.394 10 10 JECE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836515 GGBGBCIGFMJJDW-QMMMGPOBSA-N 459.343 2.335 10 10 JECE CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N2C(C)=O 15776053 YBXVPZNQPDTINT-HSZRJFAPSA-N 472.611 2.377 10 10 JECE COCCn1c(C)cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1C 33592455 NPRDXMZXBLILMK-KGENOOAVSA-N 459.568 2.289 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865028907 AQPPKNOEDWMOSW-KXBFYZLASA-N 456.543 2.242 10 10 JECE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 2451239 HABIBCXBVWETKD-JFJDQEMCSA-N 471.310 2.291 10 10 JECE CCOc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 210458413 OYLUOLZRMXZXRN-AQTBWJFISA-N 466.581 2.472 10 10 JECE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 2314487726 JTKZOKYOAAFIHJ-UHFFFAOYSA-N 487.563 2.340 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)CC2)cc1 742926848 CCUAKANPJNQXHS-LJQANCHMSA-N 452.555 2.138 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)cc2)CC1 1632945298 NDSSMSPMMDZRRX-KDURUIRLSA-N 451.571 2.294 10 10 JECE COc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc(OC)c1OC 1857952273 WNPMMNNIXCKZEM-UHFFFAOYSA-N 475.567 2.132 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC)[C@H]2c1ccc(O)c(O)c1 1864016179 JCUWSKUQOYTTQK-SFHVURJKSA-N 450.495 2.438 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)=C(N)O2 1865032422 CCFVKNCQNVOCIZ-GOSISDBHSA-N 499.568 2.168 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)NCc3ccccc3Cl)CC2)cc1 1872675956 LENLLIGFAKLMSP-UHFFFAOYSA-N 485.928 2.389 10 10 JECE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)N2CCOCC2)cc1 2296908843 XUHLZOXLTUSAPX-UHFFFAOYSA-N 454.870 2.391 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)cc3OCC(=O)N(C)C)CC2)cc1 743313880 GVKKQDJZEBFABZ-UHFFFAOYSA-N 469.586 2.414 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017779 VARXICDXJHTWHE-OAQYLSRUSA-N 493.564 2.227 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865027908 NLMBAWGFFPFVAK-NRFANRHFSA-N 467.570 2.311 10 10 JECE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030102 CHBYWDUXGXFQMZ-NRFANRHFSA-N 494.523 2.332 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)C(C)C)CC2)cc1 1869066442 ZNTBZJUEXBHGFG-HXUWFJFHSA-N 498.546 2.286 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C)cc3)CC2)cc1 1872674385 AMENDSIGZXDSKD-UHFFFAOYSA-N 451.483 2.367 10 10 JECE CC(=O)NCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166658 VEMZVDZBCKPFPU-NRFANRHFSA-N 450.539 2.079 10 10 JECE CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccc(O)c(O)c1 20328527 JWMGZRGIHJVJHK-FQEVSTJZSA-N 460.508 2.360 10 10 JECE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 34829438 VYVGJTCTSZCQKK-BRSWLGOBSA-N 492.648 2.459 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)CC2)cc1 742920274 IFWLVCOGEOHXNO-UHFFFAOYSA-N 499.656 2.460 10 10 JECE CCN1CCN(C(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)CC1 1858223690 AWRPSCSSVWCZLZ-UHFFFAOYSA-N 476.581 2.083 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(F)cc1 1860758363 FHWPKDPVKZEYBI-CYBMUJFWSA-N 480.470 2.412 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865035642 YMHRGOJLKJXDSW-FQEVSTJZSA-N 482.512 2.189 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867359808 FHENCVWZSQTHOO-DHIUTWEWSA-N 483.569 2.095 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3cccnc3)N(C)C)CC2)cc1 1869056287 SFMJJVYAJUSGGK-GOTSBHOMSA-N 485.654 2.280 10 10 JECE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCC(=O)O 16915853 OQFDKRMTMVVVJI-MHWRWJLKSA-N 459.505 2.490 10 10 JECE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCCCNC(=O)[C@@]13CC[C@@](C)(C(=O)C1=O)C3(C)C)C(=O)C2=O 33514258 UNIGOKQQIPYCNR-KNJLRNSFSA-N 486.609 2.318 10 10 JECE CCc1sc(NC(=O)C(=O)N[C@H](CO)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763971 UPOMUJQBTWLKHM-LLVKDONJSA-N 499.339 2.027 10 10 JECE COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(N5CCN(C)CC5)cc4c3=O)CC2)cc1 1866442647 AAGRAIKHLJABNL-UHFFFAOYSA-N 461.566 2.251 10 10 JECE COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 9278482 ZFSQZWBYHRDXMX-UHFFFAOYSA-N 474.565 2.126 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)COc4ccccc4OC)C3)CC2)cc1 1858380355 PJUDWNQBBBCRAW-LJQANCHMSA-N 453.539 2.280 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026268 LFWAQDKFQCRIGD-FQEVSTJZSA-N 484.940 2.450 10 10 JECE Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1 1865028477 VUZSASZBWTYLQI-QFIPXVFZSA-N 475.549 2.492 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865028615 XKVBOGPCFQXCPE-HXUWFJFHSA-N 450.495 2.127 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC(C)C)cn3C[C@H]3CCCO3)CC2)cc1 1870510722 WFVGUKHJQHXBOL-XMMPIXPASA-N 498.624 2.262 10 10 JECE O=C(O)CN1C(=O)C(=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 2297450224 QGLHZICYIJSLGU-OAHLLOKOSA-N 468.512 2.385 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc4c(c3)OCCO4)CC2)cc1 2330508064 RMMQOTJKFFJHEU-SFHVURJKSA-N 451.523 2.333 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C3CCC(N4CCN(C)CC4)CC3)C(C)C)CC2)cc1 1869062008 VYCIFXKKEXSMQF-QGPIEZSZSA-N 499.700 2.291 10 10 JECE COCCc1nc(N(C)CCc2cnc[nH]2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869118233 JNIAPBQPLLJVOC-UHFFFAOYSA-N 451.575 2.403 10 10 JECE CCOc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256039438 ZATBRNYPGKJSBC-GOTSBHOMSA-N 490.622 2.393 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1ccc(O)c(O)c1 1865032018 TUOYTKVFQUKNRO-IBGZPJMESA-N 462.506 2.269 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865035196 NXISWEWKFMTLBM-AUUYWEPGSA-N 456.543 2.192 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864008100 BTWNRQDYXPMQRU-FQEVSTJZSA-N 450.495 2.094 10 10 JECE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867889654 QLPFVOIDTDVSQR-RPBOFIJWSA-N 481.641 2.253 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865033732 HDQVMCIIJUGJHI-SWLSCSKDSA-N 482.459 2.308 10 10 JECE CCCCCCN1C(=O)NC(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 2297472484 NUISROJODGIQFP-KRWDZBQOSA-N 472.542 2.085 10 10 JECE CC(C)CN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33364196 KSHBNYHLGWUOMY-LFIBNONCSA-N 471.608 2.253 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1705957820 MICJLKXJRAMLEA-UHFFFAOYSA-N 471.581 2.101 10 10 JECE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1722758721 MSGOMORJJDHWHR-UHFFFAOYSA-N 497.644 2.148 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CC[C@@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868822870 GXYZPLMUGNJVHS-CJFMBICVSA-N 499.633 2.416 10 10 JECE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(c3ccccn3)CC1)c2NCCO 20108093 KIRSTWMWJFHQHZ-UHFFFAOYSA-N 456.502 2.224 10 10 JECE CCC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862136652 OUDRBGOQVLIJSH-QFIPXVFZSA-N 488.610 2.314 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@H]2c1ccc(O)c(O)c1 1865034374 VHEKBAHFRQNNCT-HNNXBMFYSA-N 482.459 2.401 10 10 JECE Cn1nc(C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867252704 IYHXIUFVTNAWQC-IBGZPJMESA-N 484.468 2.185 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3C[C@H](C)O)CC2)cc1 1870425669 RWIDCOPSYMRICA-FQEVSTJZSA-N 487.597 2.138 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 33933410 LTYNPCKLJDQZGU-FUQHRYGHSA-N 488.591 2.292 10 10 JECE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccco1 96459992 XGRLRSQTHCDOKH-GEVAWUEVSA-N 474.476 2.129 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864009123 ZVHFAHVHSCAVOV-QFIPXVFZSA-N 477.565 2.414 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864018245 GPOJESOXKDBECM-RNODOKPDSA-N 482.512 2.236 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018723 BDHUVDHQBCOOMP-QVKFZJNVSA-N 478.549 2.405 10 10 JECE CCO[C@H]1c2cc3c(CN(C)C)c(O)ccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@@]3(O)CC 504625141 KQWVOLZADNLIFA-UKILVPOCSA-N 465.506 2.382 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccccc1 1860760153 UOVXEYZHJFSBIX-ZDUSSCGKSA-N 462.480 2.273 10 10 JECE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865034905 HNXBDSUALLYLOU-HXUWFJFHSA-N 496.951 2.456 10 10 JECE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 2314759614 DOLFSYPVTFOFRO-UHFFFAOYSA-N 494.591 2.389 10 10 JECE COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 35962985 JJXRYDXVXSZTNP-XMMPIXPASA-N 493.608 2.282 10 10 JECE CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 504301131 NZWAHZQUPJZOFJ-FROCWPDGSA-N 453.470 2.000 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)CC2)cc1 743431983 BSZDWQXJKQTBBM-UHFFFAOYSA-N 499.999 2.352 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOC)[C@@H]2c1ccc(O)c(O)c1 1864017917 YHXSABLFKGNJHM-LJQANCHMSA-N 480.521 2.447 10 10 JECE CCOCCCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167073 QRLHTOSNWIDUBF-UHFFFAOYSA-N 452.555 2.326 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3c(F)cccc3F)CC2)cc1 11796500 OQUVRISZXXJPAR-UHFFFAOYSA-N 453.511 2.245 10 10 JECE N=C1/C(=C\c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103614180 XKPYQBVIZLHELZ-XYSCVJGBSA-N 493.501 2.367 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 210678503 FPLXISSZARWMOE-LICLKQGHSA-N 493.588 2.191 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cnn(CC)c4)c(=O)n32)cc1 254762386 PLNSVUUWOUDUFE-QFIPXVFZSA-N 479.606 2.471 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)C1 1760582202 OBTYMNDLUVUYIY-JKSUJKDBSA-N 463.633 2.173 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864014061 MKFLWFNQBIRRSO-LJQANCHMSA-N 457.575 2.419 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025915 FGMUYXCVJBTNMN-OAQYLSRUSA-N 480.496 2.344 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026522 OWNRHLOHWCXDGM-FQEVSTJZSA-N 484.940 2.450 10 10 JECE COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 728014835 IFBJEALXNGXDCI-UHFFFAOYSA-N 479.330 2.328 10 10 JECE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 20568921 NHSSIMREKCPHKV-PZHBDVNGSA-N 463.559 2.483 10 10 JECE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 40938048 AYVLWGHWVIJNNQ-QGOAFFKASA-N 494.591 2.087 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009826 LGMPUQDOWUSWHM-NRFANRHFSA-N 478.553 2.140 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864018298 HWMWUIASFUYDEE-FQEVSTJZSA-N 482.512 2.237 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccccc1O 248222818 IIYRJLQAUAJSCW-CMCWBKRRSA-N 467.478 2.412 10 10 JECE Oc1ccccc1CN[C@@H]1CO[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 1615259187 DKWLIICYZCUBNZ-CEMLEFRQSA-N 451.489 2.451 10 10 JECE COc1cc(N2CCC(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)CC2)cc(OC)c1OC 1858044307 MZGPKLRMNNTLRP-OAHLLOKOSA-N 459.465 2.351 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861965439 MCMBFDHIKCJPER-RUZDIDTESA-N 480.609 2.119 10 10 JECE CCOC(=O)c1ccc2c(c1)N(C[C@@H](O)CO)C(=CC=C1SC(=S)N(CC)C1=O)N2CC 2069851040 GJKQZHLKBFRNHA-OAHLLOKOSA-N 477.608 2.468 10 10 JECE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 2465365 URSFXDBRFQOLMF-UHFFFAOYSA-N 474.402 2.146 10 10 JECE COc1ccc(N2CCN(C(=O)C[C@H](C)S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 9151818 QNHHAVXTJKCSRC-KRWDZBQOSA-N 487.578 2.236 10 10 JECE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450926 UMFGCANZDOHXLO-TZZOCQFFSA-N 488.591 2.292 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@@H](O)[C@H]2O 14677530 ROFMCMXCPNFONV-LEWJYISDSA-N 464.382 2.038 10 10 JECE biogenic CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)CC1 1634074949 WMALYXYOQOTGRU-UHFFFAOYSA-N 457.524 2.343 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2 1864020476 ZRZJXEYJRFMJEC-FQEVSTJZSA-N 480.521 2.292 10 10 JECE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1ccc(O)c(O)c1 1865034239 RYBCBUMQBWTAGT-HXUWFJFHSA-N 492.532 2.278 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4C[C@@H](C)O[C@H](C)C4)ccn3)cc2)CC1 1296399752 LWQBCJRBZIWWCA-RTBURBONSA-N 451.571 2.294 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018321 IDRSBCBIUVWTPE-LJQANCHMSA-N 465.510 2.088 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296849776 RQXGDKVVTJMJNG-INIZCTEOSA-N 496.570 2.434 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NN3C(=O)CSC3=S)C2=O)cc1 1878034 UBPSDTKXIZWUIQ-XYOKQWHBSA-N 453.592 2.178 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)c(C(=O)O)c1OC 16906200 JDNOOKSZVITLMP-NTCAYCPXSA-N 452.554 2.326 10 10 JECE CCCCOCC(CO)(COCCCC)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 59377190 NCLZOUPNPBSCPV-XSFVSMFZSA-N 461.559 2.103 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(F)c3)cc2)CC1 1154276131 OVTNDOBWJQZENR-LADGPHEKSA-N 452.530 2.330 10 10 JECE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865035071 KMIFSPBESVYZRP-LJQANCHMSA-N 484.553 2.373 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865035726 ZYKQWXKYPFYOCC-IBGZPJMESA-N 455.559 2.124 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC5(CC3)OCCO5)n4C)CC2)cc1 1873543748 BYAYJBWSHJRPJW-UHFFFAOYSA-N 492.580 2.283 10 10 JECE Nc1ccc(OC[C@@H](O)Cn2cnc(I)c2I)cc1 311462290 ONZLQOWDERZISS-VIFPVBQESA-N 485.063 2.114 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)cc1 726243135 HGQUTETZRPSXDF-VWLOTQADSA-N 495.624 2.225 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865027450 YKJDDCHCFBPGKU-JOCHJYFZSA-N 494.523 2.468 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccccc2F)CC1 2297732894 SLHJJYYGOPERCT-UHFFFAOYSA-N 480.500 2.388 10 10 JECE Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1[N+](=O)[O-] 726976571 NSYGQJGGLWZECL-UHFFFAOYSA-N 473.960 2.270 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(C(C)C)C[C@H]3c3cnn(C)c3)cc2)CC1 849582860 QBDDHYFCNGFJOU-DQEYMECFSA-N 466.630 2.219 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CS(=O)(=O)CCCc3ccccc3)cc2)CC1 1638587201 KKUDULQHUTXIBZ-UHFFFAOYSA-N 457.596 2.019 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028483 VYIXEJKBXLTFKH-QFIPXVFZSA-N 478.549 2.495 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2180242462 PEKAEUUFPXKPER-ROUUACIJSA-N 474.510 2.320 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4nc(O)n(CCN(C)C)c4c3)c2)CC1 1633072895 HUKNRUJERWAOPT-UHFFFAOYSA-N 450.543 2.224 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009827 LGMPUQDOWUSWHM-OAQYLSRUSA-N 478.553 2.140 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864018630 PLCUUBZHIRMIPH-QRWLVFNGSA-N 477.521 2.231 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864019987 SVGNFPLGYWPQHI-LJQANCHMSA-N 460.494 2.281 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286120702 NFYMCFMCUKZMFZ-AWEZNQCLSA-N 475.464 2.203 10 10 JECE O=C(O)CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)[nH]c2ccccc12 2296944648 CKRZMQXGOZNEOU-UHFFFAOYSA-N 480.521 2.486 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864007010 DAOHBADPSHCNPV-JEOXALJRSA-N 470.913 2.437 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864018360 JJYBVMKEVGBNDR-FQEVSTJZSA-N 479.537 2.214 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865032184 XLYQIIKESYWEDT-QFBILLFUSA-N 462.506 2.176 10 10 JECE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2053496720 IQCIMQHGXYLYBP-UHFFFAOYSA-N 488.591 2.377 10 10 JECE O=C(O)CN1C(=O)C(=C2SC(=S)N(NC(=O)Nc3ccccc3)C2=O)c2ccccc21 2297580065 KMJMMVKLPLEICV-UHFFFAOYSA-N 454.489 2.426 10 10 JECE COc1ccc(CCN2C(=O)N=C(O)/C(=C\N[C@@H](CO)Cc3ccccc3)C2=O)cc1OC 102691430 WTZUHVXGNZAILR-XWALVKJWSA-N 453.495 2.242 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cnn(CC)c4)c(=O)n32)cc1 254762383 PLNSVUUWOUDUFE-JOCHJYFZSA-N 479.606 2.471 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011148 QRWGVSJQICWVOF-SPLOXXLWSA-N 494.548 2.436 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(O)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027354 HLHUTCLHOYWMGR-JOCHJYFZSA-N 492.532 2.278 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865030868 SYNAPTVHTORQHI-FQEVSTJZSA-N 479.537 2.166 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865038355 VGIDUOINJXEHQV-DNVCBOLYSA-N 456.543 2.191 10 10 JECE CCNC(=O)COc1cn(Cc2ccccn2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870533631 QWNWHZSRUIYAEP-UHFFFAOYSA-N 491.592 2.137 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871580056 HHWBLCWFDOUSEA-QGZVFWFLSA-N 467.549 2.034 10 10 JECE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)s1 2297452686 JUEHSVKZYVNCMJ-UHFFFAOYSA-N 498.546 2.480 10 10 JECE CC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40319042 GLZWRCSTQIEHLS-PKTZIBPZSA-N 460.596 2.384 10 10 JECE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(C)cc4)c4c(=O)n(C)cnc34)CC2)cc1 64998324 QULCADYNCDBXFU-UHFFFAOYSA-N 458.522 2.399 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864011422 UJRIMKMIWZCYGU-NRFANRHFSA-N 491.548 2.183 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1 1864015530 BMRXOBBTLSNGCS-IBGZPJMESA-N 464.522 2.472 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865029704 TZIVLLDRSVXHEX-KRWDZBQOSA-N 487.557 2.201 10 10 JECE CN(C)[C@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698266 MHTKCWUCHABFEN-GGAORHGYSA-N 471.513 2.181 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 2296212867 COXPCPFIFVGUGZ-HXUWFJFHSA-N 462.462 2.017 10 10 JECE CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 9741651 ZCVAJKHRSVQHGS-QHCPKHFHSA-N 470.595 2.131 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 58013552 ZBNWCNXLYPZKLH-QHCPKHFHSA-N 452.555 2.365 10 10 JECE CCn1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861980328 KPZVKSZYYLARRD-NRFANRHFSA-N 472.611 2.077 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN(C)C3)CC2)cc1 1861999192 FVZLVYOOJFMNBE-RDGATRHJSA-N 464.610 2.413 10 10 JECE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031623 KXKCGYIPHXJWLX-ISTVAULSSA-N 468.432 2.181 10 10 JECE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040501196 YYIOIPWTPZNMCM-MRXNPFEDSA-N 487.651 2.117 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314829052 YZDYLMGGPRFCJK-UHFFFAOYSA-N 451.526 2.313 10 10 JECE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)[C@@H](c2ccc(F)cc2)C1 35962934 NEMURWMAGFWOIA-XMMPIXPASA-N 481.572 2.413 10 10 JECE CCOC(=O)c1cc(OC)c(OC)c(OC)c1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 59383154 VXKXVXMHNOHUMT-QINSGFPZSA-N 469.450 2.468 10 10 JECE COc1ccc(CCN2C(=O)N=C(O)/C(=C\N[C@H](CO)Cc3ccccc3)C2=O)cc1OC 102691429 WTZUHVXGNZAILR-OGBKAESYSA-N 453.495 2.242 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)OC)c3)CC2)cc1 742927071 HDFXHOSOHQEQEV-UHFFFAOYSA-N 497.017 2.083 10 10 JECE COc1cc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc(OC)c1OC 1857952039 OXPKPDHDPQPLSH-UHFFFAOYSA-N 475.567 2.350 10 10 JECE CN(C)c1ccc(CNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1860716448 KJNMNOOGVNDPAT-UHFFFAOYSA-N 466.991 2.155 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862132154 UBLRZAQQHLNRMC-UHFFFAOYSA-N 466.582 2.188 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1864021578 PZCHHVPQEDBQGN-IBGZPJMESA-N 484.553 2.373 10 10 JECE CC(=O)NCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164141 OFNCWDKMVCXAMF-UHFFFAOYSA-N 457.534 2.495 10 10 JECE CCCN1C(=O)/C(=C/Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 105490391 KYRAGWAWIMGRIH-WYMLVPIESA-N 471.004 2.464 10 10 JECE CC(=O)OC[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 616625503 NXSDPOSAOAWHFZ-GCHJQGSQSA-N 475.669 2.181 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864014745 BGYJUFRMGCPNQZ-ZDUSSCGKSA-N 450.373 2.454 10 10 JECE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545010 JIPFMAQYYNDDRV-UHFFFAOYSA-N 467.549 2.382 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33928949 KAJALAHPEPDUDV-OBGWFSINSA-N 487.651 2.383 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1864019521 KZNDZYGGZNNQSC-VBKZILBWSA-N 478.505 2.045 10 10 JECE CCOC(=O)c1ccc2c(c1)N(C[C@H](O)CO)C(=CC=C1SC(=S)N(CC)C1=O)N2CC 2069851039 GJKQZHLKBFRNHA-HNNXBMFYSA-N 477.608 2.468 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNCc1cc(Cl)cc(Br)c1O 2225622736 LIVDCRHNGLQZGH-IPYPFGDCSA-N 451.745 2.239 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@H]2c1ccc(O)c(O)c1 1864009642 JIWAOSMJBVNZNG-BTYIYWSLSA-N 478.505 2.273 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010910 BSNXMFLDGYEGAE-LJQANCHMSA-N 470.913 2.108 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017499 NVGZMAXTGJAFMZ-DJJJIMSYSA-N 450.495 2.038 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCCC(C)C)cn3CCO)CC2)cc1 1870581621 VIEFFRNDIBDKCL-UHFFFAOYSA-N 487.597 2.140 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2040469278 IVTPAJJRGJJSSR-UHFFFAOYSA-N 474.608 2.467 10 10 JECE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)NC1=S 2297560230 CKOCPQGKAYYPCL-UHFFFAOYSA-N 468.579 2.204 10 10 JECE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40938648 UUFYDAADZVPQMB-GHRIWEEISA-N 464.565 2.079 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3c(S)nnc3-c3cccs3)cc2)CC1 1638586911 DWLQQGHIEBJVKW-UHFFFAOYSA-N 456.597 2.280 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008044 ARUKKUPKNOAGRC-FQEVSTJZSA-N 497.939 2.192 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871691803 GKLPUQDEOIGQMA-GOSISDBHSA-N 479.585 2.482 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296885199 ICXKTODXZHFIEE-HNNXBMFYSA-N 468.622 2.322 10 10 JECE CCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 33363114 KNQDNUVOVRTULE-FOWTUZBSSA-N 471.608 2.316 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008637 OVVUUKIRBRYFNG-RNODOKPDSA-N 450.495 2.092 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018320 IDRSBCBIUVWTPE-IBGZPJMESA-N 465.510 2.088 10 10 JECE CCC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869062657 CEOJTBLGZSSKDE-QGPIEZSZSA-N 499.700 2.435 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 1873534645 OKJUKLNIRAWZBD-UHFFFAOYSA-N 496.527 2.342 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCN3CCCC3=O)n4C)CC2)cc1 1873564944 GPNVHTCMYKIZDX-UHFFFAOYSA-N 491.596 2.046 10 10 JECE COc1ccc(N2CCN(CN3C(=O)C4(OCC(C)(CO)CO4)c4ccccc43)CC2)cc1 20428480 PJFVGEYDQNBYOG-UHFFFAOYSA-N 453.539 2.020 10 10 JECE COC(=O)c1c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)sc2c1CC[C@@H](C)C2 64980813 SUHORVWEEASXKD-BXUZGUMPSA-N 451.570 2.318 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 1862169787 WVDCLDCTVCNOAR-WIOPSUGQSA-N 490.604 2.384 10 10 JECE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864016989 BQSFYDZPHNLCDF-SFHVURJKSA-N 470.913 2.302 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864021174 MLVYWYQVSWBNEO-IBGZPJMESA-N 458.559 2.486 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865034966 IJWHLZVLSHNUPT-NRFANRHFSA-N 490.564 2.315 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1Cc1ccccc1 138250279 BGFKFJZQPNMPCI-FVXYUFHJSA-N 487.487 2.400 10 10 JECE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1148343321 IXWQWSVZUXVLPU-KGENOOAVSA-N 455.561 2.401 10 10 JECE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1565532142 NZWAHZQUPJZOFJ-MKSPYTNGSA-N 453.470 2.000 10 10 JECE COc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc(Br)c1O 1858595341 AJDWHJQDBVWVKX-JVVDXDAESA-N 462.299 2.292 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152349 PCAHQYULDUBMNY-FFCYNSPCSA-N 492.560 2.471 10 10 JECE CN(C)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](N(C)C)no3)N(c3ccccc3)C2=O)cc1 104829210 ALZPCIBPVCPOSY-XSFVSMFZSA-O 492.585 2.341 10 10 JECE COc1cc(N2CCC(NC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1858044487 WLRXJLUATUKNDC-UHFFFAOYSA-N 467.522 2.484 10 10 JECE CC[C@H](C)NC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870532580 MWQNDUCLQOIXNO-NRFANRHFSA-N 499.656 2.034 10 10 JECE CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1 35962910 JQGNDIVZDWXWNH-HSZRJFAPSA-N 455.534 2.023 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)cc4OC)C3)CC2)cc1 1858398930 BESAZZPPINPUPY-SFHVURJKSA-N 489.594 2.072 10 10 JECE CN(C)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1860708653 RBIBEONOSRSJKU-UHFFFAOYSA-N 454.556 2.462 10 10 JECE Cc1cccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1 1865026816 AQRZJURWRDEUHY-HSZRJFAPSA-N 489.576 2.487 10 10 JECE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C)C2=O)CC1 2296717960 ZGIOHBWTYOMOPF-UHFFFAOYSA-N 473.580 2.112 10 10 JECE C[C@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047975 GGBGBCIGFMJJDW-HLPMDPMVSA-N 459.343 2.335 10 10 JECE C=CCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988064 QYADHLQHNCEHCO-PEZBUJJGSA-N 470.576 2.425 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN(C)C3)CC2)cc1 1862002387 KDAARSCSGHBXIX-PXDATVDWSA-N 480.609 2.119 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019394 XYKYAMPDPDCEQZ-OAQYLSRUSA-N 495.555 2.417 10 10 JECE COc1cc(OC)cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396038 KZWBHIPMDPHDIY-RPBOFIJWSA-N 498.624 2.204 10 10 JECE CCOC(=O)c1c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)sc2c1CCCC2 64980812 HRPBDCQROWWLBB-AWEZNQCLSA-N 451.570 2.462 10 10 JECE CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248222825 IIYRJLQAUAJSCW-XHOYROJHSA-N 467.478 2.412 10 10 JECE CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)[C@@H](C)C1 1690858726 ZUAGNFQDFSPWTR-HNNXBMFYSA-N 463.633 2.096 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865035495 VKJJKCQTQPGSCF-LJQANCHMSA-N 472.542 2.229 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)C(C)C)CC2)cc1 1869066441 ZNTBZJUEXBHGFG-FQEVSTJZSA-N 498.546 2.286 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873167768 WSMFRWSVLDLQPJ-UHFFFAOYSA-N 493.652 2.438 10 10 JECE CCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 33586328 GEZJCKSOJORHCW-FOWTUZBSSA-N 462.597 2.425 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)COc3ccccc3)CC2)cc1 38483580 MOIVNDXHPJYENJ-UHFFFAOYSA-N 487.564 2.357 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C4(C)OCCO4)cc3)cc2)CC1 1475195083 ZEKDSNMDFWOFII-UHFFFAOYSA-N 459.568 2.053 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 1860311720 PVLNXEUBTXDJJN-KRWDZBQOSA-N 469.538 2.423 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)cc1 1862282214 LBNFXYQOUZEOJQ-OAHLLOKOSA-N 471.470 2.287 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865026540 PBTJYJNHMUVJOF-AVRDEDQJSA-N 494.523 2.468 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031691 MFNOHZSUKDVMQZ-LJQANCHMSA-N 478.505 2.214 10 10 JECE NC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871116156 GBCIKMNWLISLBX-UHFFFAOYSA-N 477.565 2.400 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)c3ccc(O)c(O)c3)c3ccccc32)SC1=S 2326945058 XJIWVETZYAOZMU-UHFFFAOYSA-N 484.511 2.373 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864020106 WFELJWJGFNDFAY-FQEVSTJZSA-N 474.521 2.324 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025914 FGMUYXCVJBTNMN-NRFANRHFSA-N 480.496 2.344 10 10 JECE CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870365722 RESNLCPSZCMDQK-UHFFFAOYSA-N 486.594 2.273 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)n(C)c3C)CC2)cc1 64922295 PAYOVLLZBLVTEQ-UHFFFAOYSA-N 460.600 2.479 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007911 XNJDUDSXSKJCDH-HXUWFJFHSA-N 466.494 2.058 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865026541 PBTJYJNHMUVJOF-GCJKJVERSA-N 494.523 2.468 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871524375 DKHPTVBMLTZUAV-UHFFFAOYSA-N 455.950 2.430 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCCC(=O)O 16911991 MOTKDBRZARRZMP-NBVRZTHBSA-N 466.581 2.472 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33668120 LYIULJXBMPAPTM-YAEPZUJJSA-N 460.581 2.156 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)CC1 1286872417 PYBSKBBYVWRKAB-UHFFFAOYSA-N 485.539 2.402 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]3c2ccc(O)c(O)c2)c1 1864011079 DJMQJBVAMOHCQJ-QRQCRPRQSA-N 478.549 2.459 10 10 JECE COc1cc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)ccc1O 33723479 JJKXMDHLWINWEO-CAOOACKPSA-N 490.515 2.419 10 10 JECE CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1 35963507 LRDNFSRHYOZBHK-QHCPKHFHSA-N 484.576 2.206 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCC(=O)N3CCCc4ccccc43)CC2)cc1 726240221 FTJUGDDJNQZDEL-UHFFFAOYSA-N 451.571 2.096 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)c2)CC1 1567652996 ZYGWTFQBXYHTCO-UHFFFAOYSA-N 454.911 2.047 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864022927 RQXDGUKKNRXALE-CQSZACIVSA-N 470.448 2.162 10 10 JECE CCCOC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870334354 BTPGDWWFUXEJEM-UHFFFAOYSA-N 486.613 2.073 10 10 JECE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=NCc4cccnc4)[nH]3)CC2)cc1 1871470265 WDHMNEWGICZYGQ-UHFFFAOYSA-N 483.580 2.065 10 10 JECE CSc1nc2nnc(-c3ccnc(N4CCN(c5ccc6c(c5)OCO6)CC4)n3)c(C)n2n1 72452498 XBAGZMFEMVNWPZ-UHFFFAOYSA-N 463.527 2.062 10 10 JECE Cc1c(-c2ccnc(N3CCN(c4ccc5c(c4)OCO5)CC3)n2)nnc2nc(-c3cccnc3)nn12 72452670 YWVKXPTYJYUFNE-UHFFFAOYSA-N 494.519 2.402 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 742927995 FOIGRZWHFGQOAF-UHFFFAOYSA-N 494.640 2.396 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@H]4C(N)=O)c4ccccc34)[C@@H]21 1615751444 YMIABTANCDTRMG-SQJMNOBHSA-N 457.534 2.265 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCCO)CC1 1741041280 JZPOPDPPTMRTRS-UHFFFAOYSA-N 466.586 2.420 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCCC1=O)=C(N)O2 1864014404 ULSFUIVVDTWAOT-NRFANRHFSA-N 497.596 2.480 10 10 JECE CCN(CC)CCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870360146 CDTZKDINRRJNMR-UHFFFAOYSA-N 472.630 2.282 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549940 BINNAYHFACTAGN-LJQANCHMSA-N 463.586 2.204 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598570 ALKMPFVXTNMGDS-JOCHJYFZSA-N 461.570 2.385 10 10 JECE CCCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574883 HYDQDWIXXGECAY-UHFFFAOYSA-N 465.602 2.468 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 11796575 VWQLVTJXINJZNR-UHFFFAOYSA-N 485.562 2.074 10 10 JECE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1864009337 FPQMGXITVVLFTL-LJQANCHMSA-N 485.541 2.054 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(N5CCCC5)cc4)[nH]3)CC2)cc1 1871677094 NOOGGIIAVFSKSV-UHFFFAOYSA-N 490.612 2.377 10 10 JECE CCCCN1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 102987265 RHVDORURPXMBGL-OBGWFSINSA-N 487.651 2.119 10 10 JECE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 1084383163 ORWMODIFUIPABD-ZHZULCJRSA-N 464.522 2.295 10 10 JECE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 1523199729 IQNRCBHWMMCJOH-QGZVFWFLSA-N 458.584 2.096 10 10 JECE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2O)CC1 1706003274 UFVZFCAHNBPLES-UHFFFAOYSA-N 469.977 2.500 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865033261 VUKGIGGXYHBHHT-HXUWFJFHSA-N 464.522 2.300 10 10 JECE CCCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc12 65305370 GFDPTNGCPTZXRF-UHFFFAOYSA-N 496.593 2.030 10 10 JECE O=C1CN(c2ccc(CNC(=O)c3ccc(F)cc3I)cc2)CCN1 106306662 QUKGVMPRSNGAHG-UHFFFAOYSA-N 453.255 2.297 10 10 JECE COc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c(C(=O)O)c1OC 210402192 JDNOOKSZVITLMP-QINSGFPZSA-N 452.554 2.326 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCNC(C)=O)CC2)cc1 1868735156 CIOGKPFHPTZABG-XMMPIXPASA-N 498.649 2.288 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCOCCO)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871479501 WQHFSNUUPXULAT-UHFFFAOYSA-N 479.585 2.102 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010350 LCWWDLQVMMWNBI-FQEVSTJZSA-N 464.522 2.429 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865028832 ZJIWPGWGMPYENK-NRFANRHFSA-N 489.532 2.010 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cnnn3-c3ccc(OC)cc3)C(C)C)CC2)cc1 1868814271 NJFQEJYSELZKOH-DEOSSOPVSA-N 492.580 2.388 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCOCC4)cn3CC(C)C)CC2)cc1 1870581075 SFAKBAKMLYKSCB-UHFFFAOYSA-N 498.624 2.073 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cc(C)ccc3OC)CC2)cc1 1872680562 MHYQMZANNMVSQS-UHFFFAOYSA-N 481.509 2.375 10 10 JECE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2297506119 CMOWGOYQCVXMST-ZDUSSCGKSA-N 478.621 2.295 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)Cc2ccccc2)CC1 100149260 YPFQMGZOLZQYSN-NKFKGCMQSA-N 476.537 2.178 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 575338649 NUCMFNFBECGZSA-JFZIVLOISA-N 489.437 2.311 10 10 JECE in-vitro O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)NCCc1ccc(O)c(O)c1 1860290672 BPHJTGMKRQHEGC-UHFFFAOYSA-N 454.552 2.495 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C(F)(F)F)CC2)cc1 1861965693 UYQZNJAVRUQFIZ-LJQANCHMSA-N 451.445 2.339 10 10 JECE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867166145 PVFDGCWVSMNYTB-FQEVSTJZSA-N 482.452 2.241 10 10 JECE CC(C)(C)OC(=O)NOCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080884639 AHJZJEPLIHNCPM-AWEZNQCLSA-N 455.508 2.106 10 10 JECE CCN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2296728768 OPSIDNBVSPSIRG-UHFFFAOYSA-N 473.624 2.358 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083981474 VIOYVRIDZZMVTQ-HXUWFJFHSA-N 482.518 2.366 10 10 JECE CCC[C@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869055929 ONWHOPXDTVBARL-XZOQPEGZSA-N 453.587 2.327 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C3CCC(N4CCN(C)CC4)CC3)C(C)C)CC2)cc1 1869062007 VYCIFXKKEXSMQF-JGZAQREWSA-N 499.700 2.291 10 10 JECE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O 2040475365 GZRMOPSRPBISKV-UHFFFAOYSA-N 494.639 2.455 10 10 JECE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2296879866 HABIBCXBVWETKD-SECBINFHSA-N 471.310 2.291 10 10 JECE NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297232873 LBJMKDCOEDDRPG-UHFFFAOYSA-N 490.588 2.274 10 10 JECE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 2314761268 RCMQWJOXRAFLRB-UHFFFAOYSA-N 478.592 2.469 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 15038179 GOURYOITBHZHFL-BOPFTXTBSA-N 493.588 2.278 10 10 JECE COc1cc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)ccc1O 33723481 HPXZQRIUKYRCEN-PXNMLYILSA-N 460.489 2.410 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(COC(C)C)c3)CC2)cc1 743432146 GXKBGPMFWLRFBH-UHFFFAOYSA-N 454.571 2.497 10 10 JECE CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570980 RCOLXHTXZCKHPU-UHFFFAOYSA-N 451.575 2.078 10 10 JECE CCOc1ccc(N2C(=O)C(=CNc3cc(NC(C)=O)cc(C(=O)O)c3)C(=O)NC2=S)cc1 2296136180 SQHRMIDYGVAWQZ-UHFFFAOYSA-N 468.491 2.486 10 10 JECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1 33262333 ALTCKEOETJPDGW-LJQANCHMSA-N 499.593 2.223 10 10 JECE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 102900783 GCKIKDDQUIDULO-KNGSKEOJSA-N 460.581 2.441 10 10 JECE O=C(O)C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 248008133 ULVQDBQDMJIWCG-LHUKNYEISA-N 495.326 2.031 10 10 JECE CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1760595208 YJBKVOPRXAOCAE-UHFFFAOYSA-N 476.585 2.407 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1 12022855 YXZAEZQMFJSEBK-OAQYLSRUSA-N 472.611 2.488 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)cc1 743303722 ALKFIOBGIGDZMY-UHFFFAOYSA-N 481.597 2.420 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865033607 DPWRAMGJLPWQBX-OAHLLOKOSA-N 481.475 2.099 10 10 JECE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NCC2CC2)cc1 248039526 KGJXGPHFRBUKBD-YTFSRNRJSA-N 454.571 2.253 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCc3c(C)nc4c(c(OC)nn4C)c3C)CC2)cc1 742919379 HJBDIGUNPIFFIV-UHFFFAOYSA-N 480.613 2.473 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1690782223 XUAFODGZWAOLAK-NRFANRHFSA-N 499.685 2.322 10 10 JECE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015224 MROWXNOVGKOBNI-AWEZNQCLSA-N 470.448 2.476 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)N(C)Cc3ccccc3)CC2)cc1 1872683325 RYFVQQZDRFUAMP-UHFFFAOYSA-N 465.510 2.078 10 10 JECE COCCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2297351809 RLEKCSQOKFAAPW-UHFFFAOYSA-N 464.478 2.049 10 10 JECE NCCCCCC(=O)N[C@H](Cc1ccc(O)c(/N=N/c2ccc(NC(=O)C(=O)O)cc2)c1)C(=O)O 27534300 RBPUMVZOKGETHG-UDYULJFISA-N 485.497 2.462 10 10 JECE C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCc4ccc(O)c(O)c4)cn1c23 1860344511 ZTJULRQCHASKLI-HNNXBMFYSA-N 496.539 2.230 10 10 JECE Cc1nc(C)c(CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866569559 KRQXLEJKPVDTBL-GOSISDBHSA-N 463.515 2.194 10 10 JECE CN(C)[C@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698267 MHTKCWUCHABFEN-GMAHTHKFSA-N 471.513 2.181 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865033354 XXENUQQLNBZOJH-NRFANRHFSA-N 478.549 2.359 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(OC)c(OC)c4)n(C)n3)CC2)cc1 1869969415 MVNDREYVDBDLDP-UHFFFAOYSA-N 466.542 2.349 10 10 JECE CC[C@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)N1C(=O)CCn2nc(C)cc21 15728727 MKFWWWGDNOZPCM-JOCHJYFZSA-N 468.602 2.044 10 10 JECE CCCCN1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)C(=O)N(CCc2ccccc2)C1=O 100176381 FDIYMVIGQZJSHB-SILNSSARSA-N 470.551 2.463 10 10 JECE O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1cc(Br)ccc1O)N[C@@]2(Cc1c[nH]c2ccccc12)C(=O)O 247389122 KYNDMKVCPUGBSL-BZDHPDOMSA-N 484.306 2.235 10 10 JECE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3cc(C)ccc3O)cc2)CC1 1678146619 RKZSBRGNQPXCRD-UHFFFAOYSA-N 454.571 2.285 10 10 JECE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 1860192989 JCRHHHQAWLKQHS-LBPRGKRZSA-N 459.300 2.448 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010386 LWZWFRAECIXLLR-IBGZPJMESA-N 450.495 2.039 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864020116 WHGLVQDJVMDJIY-LJQANCHMSA-N 450.495 2.413 10 10 JECE COCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870422288 PQZDRJGJXXYDRU-UHFFFAOYSA-N 487.597 2.404 10 10 JECE COc1c2c(c(O)c3c1[C@H](O)[C@@H](O)c1cc(C)c(C(=O)O)c(O)c1-3)C(=O)c1cc(O)cc(O)c1C2=O 4097261 KHCWAAXIQILFRK-CVDCTZTESA-N 494.408 2.047 10 10 JECE biogenic,in-vitro O=C1N=C(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)S/C1=C\c1cc([N+](=O)[O-])ccc1O 34704172 FQYZIJJVLCOAEU-ZSOIEALJSA-N 450.410 2.157 10 10 JECE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40938312 RCMQWJOXRAFLRB-NBVRZTHBSA-N 478.592 2.469 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)N3CCOc4ccccc43)cc2)CC1 1634074227 KEXTUHQRJMLMGC-UHFFFAOYSA-N 450.539 2.177 10 10 JECE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019974 SPSRIXVJPOTSKA-GOSISDBHSA-N 470.913 2.302 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@H]2c1ccc(O)c(O)c1 1864021702 FTQQNARVDOQFKA-AWEZNQCLSA-N 478.431 2.110 10 10 JECE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871713910 SOFSJEZJKCPBFP-UHFFFAOYSA-N 479.585 2.338 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 103040592 ICXKTODXZHFIEE-YHZJOHHESA-N 468.622 2.322 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@@H]3c2ccc(O)c(O)c2)c1 1865027518 JACAMLOHYWZHDL-JOCHJYFZSA-N 478.549 2.413 10 10 JECE Cn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2n(C)c1=O 1892041609 XLFMWLMEUYCRIA-UHFFFAOYSA-N 473.492 2.070 10 10 JECE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2109490470 DWZYUYSBGQAFPH-UHFFFAOYSA-N 461.563 2.131 10 10 JECE CN(C)c1ccc(C=CCN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)cc1 2297625541 BIJHCMHVBVVKSF-UHFFFAOYSA-N 452.603 2.001 10 10 JECE COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2117017 VKRVWENEWDBMJQ-OMJMQIJPSA-N 463.537 2.339 10 10 JECE C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CS2 800366430 CNPCUWIMZDCLLZ-MHECFPHRSA-N 464.499 2.398 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 1211509789 INVPPKNYFWZYKE-UHFFFAOYSA-N 452.920 2.395 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011500 IMMOICVZCZFGLV-FQEVSTJZSA-N 468.485 2.247 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864008720 QOSBYBXDYOZCAY-GOSISDBHSA-N 456.886 2.048 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1 1864023500 ZPDAAXONJZQGRD-AWEZNQCLSA-N 470.448 2.306 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871720221 SYECXMFFCHHKTR-UHFFFAOYSA-N 487.568 2.456 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 39716324 HFOUKGOEUXHDPB-ABMJBYEESA-N 474.608 2.464 10 10 JECE Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(N(C)C)cc1 64925112 GQPHLAJKPGVNDX-UHFFFAOYSA-N 463.586 2.431 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 1860311721 PVLNXEUBTXDJJN-QGZVFWFLSA-N 469.538 2.423 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864012157 SQYKMOSGPJJPGX-MPBGBICISA-N 484.940 2.496 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034796 DSWCKJAUFJYMPK-IBGZPJMESA-N 455.559 2.125 10 10 JECE Cc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867330899 KPBLULREVXQDLD-BJKOFHAPSA-N 452.599 2.495 10 10 JECE CC[C@](C)(NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868899515 UXQYPBZGIAWTNL-QHCPKHFHSA-N 485.614 2.069 10 10 JECE CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 103775363 WJSVCFHFAAOHLG-RQXXJAGISA-N 471.491 2.327 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1 749037842 GOVSTHMCLAQQLL-UHFFFAOYSA-N 491.548 2.417 10 10 JECE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858039031 KYVPRICIQMYZLB-UHFFFAOYSA-N 486.594 2.401 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1864019522 KZNDZYGGZNNQSC-VLIAUNLRSA-N 478.505 2.045 10 10 JECE COc1ccccc1C(=O)N[C@@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916004 JGSFMMLNIWZNSH-GOTSBHOMSA-N 468.598 2.195 10 10 JECE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 2297321421 YLJDXVBYERFYJA-UHFFFAOYSA-N 466.450 2.070 10 10 JECE COC(=O)CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 2314717435 URBDKTABCIFZTJ-UHFFFAOYSA-N 453.501 2.123 10 10 JECE COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCOCC1 40942110 CAUSINWZAPFGHI-MDWZMJQESA-N 473.370 2.184 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 58013554 ZBNWCNXLYPZKLH-HSZRJFAPSA-N 452.555 2.365 10 10 JECE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2CC1 1213215668 DZWLMOXGOUWHSQ-UHFFFAOYSA-N 457.596 2.073 10 10 JECE CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2C1 1666542512 UJVQZJCFWLEGAN-UHFFFAOYSA-N 453.561 2.107 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017675 RJRMKDXETHWEJJ-RNODOKPDSA-N 480.521 2.046 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865035430 TYNQPPGNOUGHHI-FQEVSTJZSA-N 482.512 2.189 10 10 JECE CCC[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020075 UBNHMULUFVDFBV-GOSISDBHSA-N 456.520 2.120 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1 1868990502 XTBJZYXKECDQMA-KRWDZBQOSA-N 462.554 2.391 10 10 JECE NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 4177634 LBJMKDCOEDDRPG-VBKFSLOCSA-N 490.588 2.274 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(C(C)C)C[C@@H]3c3cnn(C)c3)cc2)CC1 849582862 QBDDHYFCNGFJOU-LOSJGSFVSA-N 466.630 2.219 10 10 JECE COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862259932 UNGOKNRIIMOHQE-LGWVBRRBSA-N 451.523 2.349 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865028949 BTSRTJQABFYSOM-UZLBHIALSA-N 456.543 2.471 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030978 WGCWRXIWAUWLTJ-IBGZPJMESA-N 455.559 2.125 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865033815 INWUSSCOOVMXQL-MRXNPFEDSA-N 495.502 2.438 10 10 JECE CC[C@](C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869067306 NQUMTVNDQPTRAK-QHCPKHFHSA-N 498.546 2.430 10 10 JECE COCCN(CCOC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873543850 GQGFASIRSCBKGY-UHFFFAOYSA-N 482.585 2.039 10 10 JECE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 11344054 VZWFWGMVEFUCJU-UHFFFAOYSA-N 478.482 2.166 10 10 JECE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cc(C)on3)c3ccco3)CC2)cc1 38619567 XAUCKRDZSURAQA-LJQANCHMSA-N 453.499 2.203 10 10 JECE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc(OC)c1OC 96460686 ICAOAWYWAHLFIB-ZEKCGQBESA-N 466.541 2.360 10 10 JECE CCCn1cccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018960 LVUCCTNNXITDBG-JOCHJYFZSA-N 486.638 2.467 10 10 JECE CC(C)CCN1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 33342555 OBIUVUXBEQSWQR-OBGWFSINSA-N 487.651 2.056 10 10 JECE COc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 35963706 RVPHRIJJBZYSQJ-VWLOTQADSA-N 493.608 2.282 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1864008394 JNSYKSXXYBMFKE-FQEVSTJZSA-N 460.494 2.070 10 10 JECE COCCOCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1 1869970263 HBGBLKAQYHBVPS-UHFFFAOYSA-N 466.542 2.204 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3Br)CC2)cc1 20604422 ITICPNQLFDYUSH-UHFFFAOYSA-N 482.400 2.340 10 10 JECE CCOC(=O)c1c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)sc2c1CCCC2 64980811 HRPBDCQROWWLBB-CQSZACIVSA-N 451.570 2.462 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]2c1ccc(O)c(O)c1 1865026014 HVRNKARSHLIISE-IBGZPJMESA-N 499.568 2.397 10 10 JECE CCN1C(=O)C(=Cc2cn(CC(N)=O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508973 DIOSMNQEIZLCCH-UHFFFAOYSA-N 494.573 2.055 10 10 JECE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705509177 BZZUJJJUVSCSRT-QGZVFWFLSA-N 478.594 2.166 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C1CCCC1 138163675 OKOCAXPIBDFVIT-XXNSQIBZSA-N 465.481 2.143 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861965440 MCMBFDHIKCJPER-VWLOTQADSA-N 480.609 2.119 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022071 KCEVVGINXNZZNJ-OAHLLOKOSA-N 483.491 2.486 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865035359 ROANIHJCTOEHIU-QGZVFWFLSA-N 487.557 2.294 10 10 JECE O=C(CCN1C(=O)CSC1=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1865768465 MXTOCMKCJBFGJQ-UHFFFAOYSA-N 471.973 2.120 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccc5nncn5n4)c3C)CC2)cc1 64977577 MXYPBRCGDFBFSY-UHFFFAOYSA-N 460.542 2.217 10 10 JECE COc1ccc(-c2cc(O)nc(=NCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1858540586 HKRLLWPKWJIXJP-UHFFFAOYSA-N 463.538 2.439 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019716 PQWGUNCXUWRNGN-IBGZPJMESA-N 450.495 2.284 10 10 JECE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032789 KSKRYTSOGCYROT-QFIPXVFZSA-N 490.560 2.420 10 10 JECE COc1ccccc1C(=O)N[C@@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916006 JGSFMMLNIWZNSH-XZOQPEGZSA-N 468.598 2.195 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871545583 PVWPKMYISQJIIB-UHFFFAOYSA-N 489.559 2.311 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 2297639218 DRXYPGJWJRWFHW-KRWDZBQOSA-N 498.536 2.013 10 10 JECE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C1=O 2313631666 VVZSPRBIUPUSIF-UHFFFAOYSA-N 467.482 2.321 10 10 JECE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019068 VJZLTWGYCKXSNH-IBGZPJMESA-N 484.940 2.362 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865030174 DYFOCRQMAIIQFF-IBGZPJMESA-N 484.553 2.327 10 10 JECE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030569 MGCAOCBUEQECQK-OAQYLSRUSA-N 494.523 2.332 10 10 JECE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNCc1cc(Cl)cc(Br)c1O 2333602612 LIVDCRHNGLQZGH-NFAWXSAZSA-N 451.745 2.239 10 10 JECE CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 256038346 NTZCCUAJRMOPPM-XZOQPEGZSA-N 460.596 2.384 10 10 JECE CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2CC1 1208092524 IMBMDEDOTWFQLY-UHFFFAOYSA-N 457.596 2.291 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CC1 1634074995 YBCKOQOMEDVKBU-BHDDXSALSA-N 456.587 2.474 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1 1865029494 ORLDQRRXWMORKT-IBGZPJMESA-N 470.526 2.073 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)CCC(=O)OCC)[C@@H]2c1ccc(O)c(O)c1 1865035459 UMFBXAMOIYNPBC-LJQANCHMSA-N 472.542 2.373 10 10 JECE CCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498249 GEZJCKSOJORHCW-UHFFFAOYSA-N 462.597 2.425 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)cc2)CC1 1561469074 WOVCQIGLFLWDPR-UHFFFAOYSA-N 450.492 2.189 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019169 HLLIJFJRRAIXRK-OAQYLSRUSA-N 477.565 2.277 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1 1865027543 JKCNJJUXCRHWFQ-VGSWGCGISA-N 492.532 2.278 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1891653506 FYMIYPLTNLVPPL-QFIPXVFZSA-N 488.566 2.495 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@H](S(C)(=O)=O)C1 2192658428 BPDDXWNNDVMTRB-UONOGXRCSA-N 467.357 2.416 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864022228 KXKVJKIJZHCRLQ-IINYFYTJSA-N 470.448 2.161 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)n(C)n3)CC2)cc1 1869969526 OXYGVXQJIYUFCR-HXUWFJFHSA-N 489.580 2.138 10 10 JECE O=C1CSC(=O)N1CCN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C1=O 97552395 XATNORJPZLREBY-IKAJEULISA-N 487.584 2.267 10 10 JECE CC(C)(C)N1C(=O)[C@@H]2[C@H](c3ccc(O)c(O)c3)N[C@](COCc3ccccc3)(C(=O)O)[C@@H]2C1=O 248209645 CLNSKFVWLYXKGH-GBWYYYKWSA-N 468.506 2.182 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN(C)C3)CC2)cc1 1861999191 FVZLVYOOJFMNBE-RCZVLFRGSA-N 464.610 2.413 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)CC1 1447710669 LEQQZRDHBAVHFF-GOSISDBHSA-N 456.493 2.303 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1301631260 OJQKKGGEBQXGNC-UHFFFAOYSA-N 455.607 2.286 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4ccc(F)cc4)c(C)[nH]3)CC2)cc1 1858529370 OWKCKLSREGQFFC-UHFFFAOYSA-N 451.502 2.488 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862243902 UNRDIXRYFHQTFQ-QHCPKHFHSA-N 459.550 2.484 10 10 JECE COc1cc(/N=N/c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)O 2080103040 CGLOIOJVUYAUAC-VTXMHGDESA-N 482.449 2.344 10 10 JECE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724076 ZPAHFCRBEKTILT-MLJKTZRHSA-N 478.621 2.213 10 10 JECE CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008784 RZPZXAUZKBKQGE-FQEVSTJZSA-N 478.505 2.327 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864020916 IFIQIJOCKKBEJV-GOSISDBHSA-N 452.515 2.043 10 10 JECE CC(=O)c1ccccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40319616 CAJKRBBZCRAUGN-FGZHOGPDSA-N 460.596 2.384 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 585200425 DBHMRLIQCOGJOO-UHFFFAOYSA-N 492.598 2.376 10 10 JECE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864012889 LNXUJSRRCDBVAM-OAQYLSRUSA-N 478.549 2.407 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 730774413 BIYKMTJDMLIHAN-JOCHJYFZSA-N 499.999 2.492 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 730774414 BIYKMTJDMLIHAN-QFIPXVFZSA-N 499.999 2.492 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cc(F)ccc4F)C3)CC2)cc1 1615106273 LDNCYQGPUZFDTI-UKILVPOCSA-N 478.536 2.181 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028030 NZJLHHRUKVJDGE-IBGZPJMESA-N 470.913 2.391 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)nn3)CC2)cc1 1869058174 CYCAQQICSKJXMI-GOSISDBHSA-N 463.991 2.339 10 10 JECE COC(=O)c1cc2cc(NC(=O)C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2o1 743432014 DLGIGDRCHKYMSI-UHFFFAOYSA-N 480.521 2.105 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864009728 COGVHBPNACYOPZ-NRFANRHFSA-N 494.548 2.438 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865034350 UKIUCYHHDZWAGQ-ABAIWWIYSA-N 482.459 2.259 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1 1865035397 SLIQJKYXDOPBIG-LJQANCHMSA-N 484.553 2.327 10 10 JECE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CCOC)n2)CC1 1867953030 KDUXUAGKASTRFR-UHFFFAOYSA-N 484.601 2.279 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 1872684577 WPXMWQACLMESCV-UHFFFAOYSA-N 497.464 2.394 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2293456919 BWVSHXWQNQYBSP-UHFFFAOYSA-N 460.490 2.066 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)CCC(=O)N3CCCn4nc(C)cc43)CC2)cc1 21532797 YWMDJUMULRHYFQ-UHFFFAOYSA-N 468.602 2.046 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 575338647 NUCMFNFBECGZSA-AOIWZFSPSA-N 489.437 2.311 10 10 JECE in-vitro COc1ccc(N2CCN(C(=O)Cn3nc(-c4cc(OC)ccc4OC)ccc3=O)CC2)cc1 585173933 FDPOQVMZFZORPM-UHFFFAOYSA-N 464.522 2.285 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3cnc4c(N5CCSCC5)nc(Cl)nc43)CC2)cc1 1860340702 KEMQVLANSRWQTG-UHFFFAOYSA-N 488.017 2.390 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864019595 MXKGXUPUBXQVMC-LJQANCHMSA-N 455.559 2.081 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccn3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865029314 KJNMFKOROFVQCJ-JOCHJYFZSA-N 490.564 2.451 10 10 JECE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032788 KSKRYTSOGCYROT-JOCHJYFZSA-N 490.560 2.420 10 10 JECE CCN(CC)CCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167085 RCRBCYHZVMJNJW-UHFFFAOYSA-N 465.598 2.242 10 10 JECE COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(Cc3ccccc3O)C2)nn1 12190797 JASOXPNAIAWFPN-CTNGQTDRSA-N 467.501 2.084 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(C(C)C)C[C@@H]3c3cnn(C)c3)cc2)CC1 849582861 QBDDHYFCNGFJOU-JWQCQUIFSA-N 466.630 2.219 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@@H](CCC(=O)NCc2ccccc2)N3C)cc1 1616127166 HRNAEOUEYGGOFQ-MZKUHISZSA-N 463.626 2.222 10 10 JECE CN(C)c1ccc([C@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1858074640 PFHQNNJIEKBQLD-QHCPKHFHSA-N 484.622 2.495 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011630 JMYIYMQDABRRFM-OAQYLSRUSA-N 481.528 2.163 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865028814 YXTHKAZKKLXRDV-NRFANRHFSA-N 462.506 2.270 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2 1865028888 AKQYPHKJBCWTOB-BEFAXECRSA-N 484.553 2.280 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865030801 RIQODIOWYMYFKU-LJQANCHMSA-N 474.558 2.083 10 10 JECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865034332 UAXWVVUFOVPWGA-AWEZNQCLSA-N 470.448 2.166 10 10 JECE COc1ccc(CN2CCN(C(=O)C=CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 2042453059 DSERGMQQAKVQAV-UHFFFAOYSA-N 478.593 2.253 10 10 JECE COCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33507192 YNXPOLALZQRISL-DWKHYPNZSA-N 460.581 2.441 10 10 JECE CCO[C@@H]1c2cc3c(CN(C)C)c(O)ccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 504625140 KQWVOLZADNLIFA-NOZRDPDXSA-N 465.506 2.382 10 10 JECE in-vitro COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2)cc1 743431979 BJKUZFKSWPGTSU-UHFFFAOYSA-N 499.999 2.352 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4ccc(F)cc4)C3)CC2)cc1 1615107376 VSTNJCGNAWVBBJ-ILBGXUMGSA-N 460.546 2.042 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864007012 DAOHBADPSHCNPV-WLRWDXFRSA-N 470.913 2.437 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018246 GPOJESOXKDBECM-XCLFUZPHSA-N 482.512 2.236 10 10 JECE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029573 QMVDFWYSWHUPNR-OAQYLSRUSA-N 476.533 2.442 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(F)cc3)CC2)cc1 585203290 KIBIXLBGJLJMPC-UHFFFAOYSA-N 450.536 2.498 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CC[C@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868822872 GXYZPLMUGNJVHS-CPJSRVTESA-N 499.633 2.416 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873546521 RYMSDPKOHPOXMJ-UHFFFAOYSA-N 463.586 2.174 10 10 JECE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33386070 IBRYKHGGUPFYHT-WOJGMQOQSA-N 469.592 2.312 10 10 JECE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 206849822 RCMQWJOXRAFLRB-JXAWBTAJSA-N 478.592 2.469 10 10 JECE COCCn1ncc(N2CC[C@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2)cc1=O 581793691 RWSZYUCXXQELKU-NRFANRHFSA-N 453.587 2.365 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@@H](CCC(=O)NCc2ccccc2)N3C)cc1 1616127163 HRNAEOUEYGGOFQ-DGWZTRNLSA-N 463.626 2.222 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865029103 FYRPJENORQAWDV-HXUWFJFHSA-N 474.558 2.075 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCNC=O)c4ccccc34)[C@H]21 1873850889 JNZHYMXGHQJRFZ-VWLOTQADSA-N 459.550 2.431 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCCN(C)C)cc1C2=O 1873866002 WLPPPRNKEFJDOA-UHFFFAOYSA-N 466.490 2.384 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15047552 FIAKQPAVVGPJAC-OKHBPPCESA-N 463.562 2.268 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4cc(F)ccc4OC)CC3)CC2)cc1 742947378 CUDOJNMKIGFUBA-UHFFFAOYSA-N 485.604 2.492 10 10 JECE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864014744 BGYJUFRMGCPNQZ-CYBMUJFWSA-N 450.373 2.454 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864017559 OXUJXRKJKCFVDC-OAQYLSRUSA-N 491.548 2.101 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2040503212 NWEYXKGSLAWRRV-UHFFFAOYSA-N 471.608 2.314 10 10 JECE COc1ccc(N2CCN(C(=O)C3CCC(CNc4c(N5CCCC5)c(=O)c4=O)CC3)CC2)cc1 9502846 YDZVZGIVOAPBID-UHFFFAOYSA-N 480.609 2.459 10 10 JECE CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 616588896 NUCMFNFBECGZSA-ZQOQTTQJSA-N 489.437 2.311 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(C(C)C)C[C@H]3c3cnn(C)c3)cc2)CC1 849582864 QBDDHYFCNGFJOU-RPBOFIJWSA-N 466.630 2.219 10 10 JECE COc1cc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc(OC)c1OC 1858044452 VFHTVERIZWNCRC-UHFFFAOYSA-N 461.540 2.154 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864008974 WDNGVAFNCQZFAZ-MJGOQNOKSA-N 470.913 2.338 10 10 JECE CCCCOc1cn(CCOCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665899 OKLOWIVWENXYIF-UHFFFAOYSA-N 459.587 2.367 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCO)n4CC(C)C)CC2)cc1 1873579690 QLNCPLYNTRENTK-UHFFFAOYSA-N 452.559 2.145 10 10 JECE COc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCCC(=O)O 2314932355 MOTKDBRZARRZMP-UHFFFAOYSA-N 466.581 2.472 10 10 JECE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 742916211 FIWICMYARYXJML-UHFFFAOYSA-N 474.627 2.278 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](CCS(C)(=O)=O)c3ccccc3)cc2)CC1 1296400695 TVVASLLYJXEPJT-HSZRJFAPSA-N 457.596 2.190 10 10 JECE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 2314836352 DKMUUDGYYLZXSO-LLVKDONJSA-N 493.588 2.277 10 10 JECE O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 33323547 BJKUTXRWWBOIDU-KPKJPENVSA-N 451.176 2.366 10 10 JECE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](CC(=O)O)(C(=O)O)[C@@H]3C2=O)cc1Cl 34255581 IGFDILJWXITXRZ-AZXNSQLWSA-N 485.924 2.463 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)NCc3cccs3)CC2)cc1 585203275 IFOWYNQGYZTRBT-UHFFFAOYSA-N 452.602 2.098 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O)sc(C)c1-c1ccc(Cl)cc1 1860758871 SFRLOIHAYLDWQK-BJOHPYRUSA-N 468.915 2.442 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCO)ncnc4n3Cc3ccco3)CC2)cc1 1875235685 RHRDAPSYYMOKMS-UHFFFAOYSA-N 476.537 2.448 10 10 JECE COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)cc1OC 21537462 ZFCDSFRRVFPQDY-UHFFFAOYSA-N 455.496 2.146 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)cc1 1862274896 UGFVHYTUKDNVLU-HNNXBMFYSA-N 471.470 2.287 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022771 YBEOZVBIPJBRSD-LJQANCHMSA-N 457.575 2.419 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3C[C@H](C)O)CC2)cc1 1870446192 UQLVWGFFYURJIR-IBGZPJMESA-N 487.597 2.280 10 10 JECE C[C@H](O)Cn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871261813 XIJBFWRCCYXNPP-IBGZPJMESA-N 480.565 2.462 10 10 JECE COCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873590208 KGZNTJSHNVZODJ-UHFFFAOYSA-N 482.585 2.179 10 10 JECE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2297307050 QRYPUIFXYWSUEW-UHFFFAOYSA-N 490.266 2.274 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1690792772 SRCSMWXDBZXUDA-SJORKVTESA-N 498.700 2.124 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)[C@@H](C)C1 1690837106 XQWQGJFOMIGBOA-SFHVURJKSA-N 484.626 2.454 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865026284 LSNRSXDTYILKBU-HTAPYJJXSA-N 491.548 2.445 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)=C(N)O2 1865032423 CCFVKNCQNVOCIZ-SFHVURJKSA-N 499.568 2.168 10 10 JECE CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2293284955 MBDASRUHCYNPLP-UHFFFAOYSA-N 467.576 2.441 10 10 JECE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989939 FERGDMVHNQOAIE-ATVHPVEESA-N 490.607 2.341 10 10 JECE CC[C@@H](C)NC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870532581 MWQNDUCLQOIXNO-OAQYLSRUSA-N 499.656 2.034 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccccc3NC(C)=O)C2=O)cc1OC 2296940798 QOHPGBNXTMCGOY-UHFFFAOYSA-N 452.467 2.279 10 10 JECE COCCOc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(OCCOC)n1 96332125 XGAHXMZZYPOMNI-UHFFFAOYSA-N 450.451 2.441 10 10 JECE CN(C)c1ccc(CN[C@@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccc(F)cc4)N3C2)cc1 1614977708 YPFZEOQBIGKEJQ-JRFVFWCSSA-N 467.589 2.019 10 10 JECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccncc3)cc2)cc1 1859006754 AVGAXIPUYLVXGR-UHFFFAOYSA-N 454.508 2.043 10 10 JECE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860343929 PIXQSTCBUORADD-NRFANRHFSA-N 496.527 2.198 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 2296885487 WZVNSDRDRQFFNZ-CQSZACIVSA-N 452.579 2.104 10 10 JECE Cc1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2307571539 QFSQBRPGNUYVAP-UHFFFAOYSA-N 453.314 2.179 10 10 JECE COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 9407005 QAZOPSZJJIDACE-UHFFFAOYSA-N 456.568 2.027 10 10 JECE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)[C@H](c2ccc(F)cc2)C1 35962931 NEMURWMAGFWOIA-DEOSSOPVSA-N 481.572 2.413 10 10 JECE CCOCCOC(=O)[C@H](CC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944864 UPHIAYNLYGTSAY-AWEZNQCLSA-N 492.575 2.438 10 10 JECE CCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33363251 YADKAYJEISMJBZ-NTCAYCPXSA-N 457.581 2.007 10 10 JECE CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 727841786 HTBWSMJKFZAXSD-UHFFFAOYSA-N 459.616 2.473 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)c3ccccc3)cc2)CC1 1296400699 TVVASLLYJXEPJT-QHCPKHFHSA-N 457.596 2.190 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C(=O)OCC)CC1)[C@H]2c1ccc(O)c(O)c1 1865029802 VOJGHUDUZCCZRR-IBGZPJMESA-N 485.541 2.008 10 10 JECE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 210434414 YUTBKMHIAQVKEZ-GDNBJRDFSA-N 450.519 2.245 10 10 JECE CSc1nc(O)c2[n+](n1)[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)N(C(C)=O)c1ccccc1-2 261363653 VFMZZWZCEWIHEF-SFHVURJKSA-O 471.431 2.294 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cc(F)c(F)c(F)c4)C3)CC2)cc1 1615104520 GCUQXTUUDVHNJQ-RDGATRHJSA-N 496.526 2.321 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2)CC1 1668581307 JGCDNPSXHBSERY-UHFFFAOYSA-N 450.492 2.189 10 10 JECE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1 2068625615 ZTDPHSZECWGNNE-UHFFFAOYSA-N 455.508 2.295 10 10 JECE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NCC2CC2)cc1 43253899 WAUSJPRRZBQQCZ-VXNXHJTFSA-N 462.550 2.121 10 10 JECE CN(C(=O)Cn1cnc(I)c1I)c1ccc(N)cc1 388522220 JVFUUKWVWGIBHI-UHFFFAOYSA-N 482.063 2.338 10 10 JECE CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCOCC3)ccc21 1858074046 AVIMELQCUYSTRM-DEOSSOPVSA-N 472.611 2.013 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccccn3)CC2)cc1 1862291208 HPJRUQGLBOMEQF-XMMPIXPASA-N 460.534 2.486 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)CCC(=O)OCC)[C@H]2c1ccc(O)c(O)c1 1865035458 UMFBXAMOIYNPBC-IBGZPJMESA-N 472.542 2.373 10 10 JECE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1 2044641971 PFCVKWUXYMIODM-UHFFFAOYSA-N 472.608 2.450 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 205691121 RNUWFAPTKHCDHI-OQLLNIDSSA-N 478.533 2.082 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)CC2)cc1 742916117 CPCBBKGJILUCEY-QHCPKHFHSA-N 463.586 2.484 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@H]3CCCO3)n4C)CC2)cc1 1873565944 ZXCQBYZTSIYMHH-LJQANCHMSA-N 450.543 2.212 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 2297475970 VLLPPKHLYWHYGZ-GOSISDBHSA-N 494.573 2.183 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)C(=O)N(Cc3ccncc3)C4=O)CC2)cc1 742926898 FCPSPABADMLWLG-UHFFFAOYSA-N 499.571 2.438 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4cccc(F)c4F)C3)CC2)cc1 1615104536 DUFCJUMJZDGKHY-WIOPSUGQSA-N 478.536 2.181 10 10 JECE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4nnc(NC(C)=O)s4)cn3)CC2)cc1 1858438702 MKUXDBUYBASGMC-UHFFFAOYSA-N 489.583 2.028 10 10 JECE C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2)C1=O 12022010 HDBQUCGAIXHOCI-KKSFZXQISA-N 458.584 2.098 10 10 JECE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1 21876431 NICRFJVAMYKGAD-SANMLTNESA-N 474.565 2.040 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc1 742916152 DHWGHLPWCYSKSR-QHCPKHFHSA-N 464.566 2.254 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864018249 GQQCJQVHJFKKSA-OAQYLSRUSA-N 495.555 2.417 10 10 JECE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CS[C@H](C(=O)O)C3)C2=O)cc1 2295924425 YBAXASPNRTWIPV-AWEZNQCLSA-N 466.562 2.051 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1 743362379 BGKRIXMBRZSDCR-UHFFFAOYSA-N 465.598 2.293 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864011501 IMMOICVZCZFGLV-HXUWFJFHSA-N 468.485 2.247 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865026091 FVGVZBVWDIVNBM-QFIPXVFZSA-N 475.549 2.451 10 10 JECE COc1ccc(N2CCN(C(=O)C[C@@H](C)S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 9151819 QNHHAVXTJKCSRC-QGZVFWFLSA-N 487.578 2.236 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCOCCO)CC2)cc1 1870436770 FWOQOAIZTGBHRN-UHFFFAOYSA-N 459.587 2.223 10 10 JECE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040498190 FDAJGGAAYXJVGT-ZDUSSCGKSA-N 471.608 2.396 10 10 JECE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C)C2=O)CC1 2040498713 NSGPCJCCIGQFBK-UHFFFAOYSA-N 458.565 2.305 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1OC 35962978 BUPSSEDRZBBTDM-QHCPKHFHSA-N 481.597 2.282 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1 35963703 FIZQZNKMAJLWCT-XMMPIXPASA-N 481.597 2.282 10 10 JECE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCc3ccccc3)c3cccnc3)CC2)cc1 56896155 RZDGPFMJOTVGQH-AREMUKBSSA-N 487.604 2.429 10 10 JECE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256039439 ZATBRNYPGKJSBC-XZOQPEGZSA-N 490.622 2.393 10 10 JECE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015219 MONTWMPZVCFPEK-CQSZACIVSA-N 469.464 2.003 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2295979411 HFOUKGOEUXHDPB-HUUCEWRRSA-N 474.608 2.464 10 10 JECE Nc1ccc(C[C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 31501807 UTIKAJTYMVORHO-DEOSSOPVSA-N 494.617 2.440 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)c(OC(C)=O)c(C)c(OC(C)=O)c1C2=O 207202754 UEPPOYFGIACBRC-UHFFFAOYSA-N 454.387 2.472 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076124125 BGFKFJZQPNMPCI-KDKQAMIGSA-N 487.487 2.400 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028692 YBLWGDDNWUIXCZ-JOCHJYFZSA-N 475.549 2.120 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865030529 LPEVOHPCGGECHR-LIRRHRJNSA-N 456.543 2.192 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865038980 ZRHAWCSPXABURT-FOIQADDNSA-N 470.570 2.438 10 10 JECE CN(C)c1ccc([C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1866120655 FXNPWQGUUTWZEU-GMAHTHKFSA-N 492.580 2.252 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869060673 ZGYURBHZDASWEA-UHFFFAOYSA-N 461.444 2.440 10 10 JECE COCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871715081 JEOCGRUZGMUDDR-UHFFFAOYSA-N 451.531 2.136 10 10 JECE O=C1CN(c2ccc(CNC(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)cc2)CCN1 31421608 KXXPKDAXHZTZRN-UHFFFAOYSA-N 456.959 2.140 10 10 JECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2)C1 727033846 XURJUMILYIOMHH-MRXNPFEDSA-N 469.508 2.131 10 10 JECE CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181979 KCKOAHFPYQONOH-DENIHFKCSA-N 458.603 2.276 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017355 KHSYVTFNNPMTRT-LJQANCHMSA-N 450.495 2.303 10 10 JECE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865033788 IBJSATLMIISIGS-HNNXBMFYSA-N 481.475 2.097 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1 1868039551 SQFDZZUVRUQERZ-JOCHJYFZSA-N 478.549 2.390 10 10 JECE COCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875222364 FQADMNIQSKWATP-UHFFFAOYSA-N 468.558 2.107 10 10 JECE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCC(=O)O 2314934402 ZLLLVLVXGJKCBG-UHFFFAOYSA-N 459.505 2.490 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 221655873 NXSDPOSAOAWHFZ-IYKVGLELSA-N 475.669 2.181 10 10 JECE Nc1ccc(OC[C@H](O)Cn2cnc(I)c2I)cc1 311462289 ONZLQOWDERZISS-SECBINFHSA-N 485.063 2.114 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)[C@H](C)C1 1508236064 FUXMTHBYMYNSSN-GOSISDBHSA-N 463.586 2.498 10 10 JECE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1705876340 VNSMIQIQQCLIDD-FQEVSTJZSA-N 478.594 2.043 10 10 JECE COc1ccc(-c2c(O)nc(=NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)[nH]c2C)cc1 1858529616 PJOOAVHDBREBRS-UHFFFAOYSA-N 463.538 2.357 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651100 PYXXANLWPHLXMV-UHFFFAOYSA-N 476.629 2.466 10 10 JECE CC(C)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040498469 KSHBNYHLGWUOMY-UHFFFAOYSA-N 471.608 2.253 10 10 JECE COCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccc(C)cn3c2=O)SC1=S 2426640 SFTSXZRTLIYKES-RVDMUPIBSA-N 462.622 2.404 10 10 JECE CC(=O)[C@@H](C)SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1307309077 GOZNYZHVBLMOAI-GGNJANJASA-N 452.579 2.443 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008555 MWDWCANJGSHFAU-OAQYLSRUSA-N 463.538 2.273 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028870 AECZARUQZKEHMT-NRFANRHFSA-N 492.532 2.142 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602140 CRBLRJWVMQBGEJ-LJQANCHMSA-N 463.586 2.204 10 10 JECE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2194645 SSRORVXYJQNFQN-MHWRWJLKSA-N 462.597 2.281 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc(-c5ncccn5)no4)C3)CC2)cc1 585222403 ASYWZIGUNBKLBG-SFHVURJKSA-N 463.542 2.096 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1 1861987795 WLVZRSSWELMFRD-QHCPKHFHSA-N 466.582 2.466 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cnc(C)cn3)CC2)cc1 1862242697 WNKYNELLELPLFJ-HSZRJFAPSA-N 475.549 2.189 10 10 JECE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)C1 1865027414 XTQHLVGHSJFFRY-HNAYVOBHSA-N 470.526 2.119 10 10 JECE CCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33933502 OPSIDNBVSPSIRG-SAPNQHFASA-N 473.624 2.358 10 10 JECE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](CC(=O)O)(C(=O)O)[C@@H]3C2=O)cc1Cl 248031494 IGFDILJWXITXRZ-XHOYROJHSA-N 485.924 2.463 10 10 JECE CCN1CCN(Cc2ccccc2CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 743362695 HZGFLNDNQPZLLH-UHFFFAOYSA-N 494.684 2.454 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)CC1 1508181122 HDBNZEZTBOFICC-UHFFFAOYSA-N 467.618 2.270 10 10 JECE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(N4CCOCC4)=NC3=O)c3ccccc32)cc1 2053497074 VHXAMJZYNALUJM-UHFFFAOYSA-N 478.530 2.353 10 10 JECE NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 33363198 IQJHMWDYJCGFCN-SFQUDFHCSA-N 495.586 2.391 10 10 JECE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)n1 101350196 OZAFUTKFCAYQKJ-CPNJWEJPSA-N 492.517 2.473 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 210728460 NAIWRZCZWYKBNY-RVDMUPIBSA-N 468.553 2.372 10 10 JECE CC(=O)N1CCc2sc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 1464755164 FEHGXYWEFAAUBR-IBGZPJMESA-N 450.630 2.300 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009835 LKPCHDAUCZODQN-HXUWFJFHSA-N 478.505 2.420 10 10 JECE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864019044 UVBHIBYVSGQSRI-RBZFPXEDSA-N 482.512 2.236 10 10 JECE COc1cccc(OC)c1C(=O)N[C@@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867368980 QNTGGODAJVCTGG-FCHUYYIVSA-N 498.624 2.204 10 10 JECE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873167182 VOLIFNOKKUZVLL-UHFFFAOYSA-N 457.534 2.495 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@@H]3CCCO3)n4C)CC2)cc1 1873565943 ZXCQBYZTSIYMHH-IBGZPJMESA-N 450.543 2.212 10 10 JECE NS(=O)(=O)c1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873991473 MAODOUVWYOFCBA-UHFFFAOYSA-N 459.483 2.292 10 10 JECE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 2294094923 DSMVZOBEKJQPPA-UHFFFAOYSA-N 472.501 2.475 10 10 JECE COC(=O)CCNC(=O)c1ccc(N=Nc2cc(C(=O)NCCC(=O)OC)ccc2N)cc1 888086415 LXLGPLXSDARDFK-UHFFFAOYSA-N 455.471 2.270 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 1861882134 CIJJBRXXLGABIW-UHFFFAOYSA-N 464.566 2.012 10 10 JECE O=C(Cn1cnc2c(N3CCOCC3)ncnc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179982 UIHWGDGAZGHJQN-UHFFFAOYSA-N 468.473 2.077 10 10 JECE COc1cc(N2C(=O)C(=CNc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc(OC)c1OC 2296336984 BXGFHJQQZRAMAB-UHFFFAOYSA-N 470.507 2.415 10 10 JECE CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O 72320712 VQBRHKNSGVIPJV-VXKWHMMOSA-N 485.673 2.082 10 10 JECE COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 731405184 DDSYYXYCMOQWHI-YOEHRIQHSA-N 462.524 2.169 10 10 JECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749288442 GXHATMADLNMFBJ-SFHVURJKSA-N 465.597 2.169 10 10 JECE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1 21876969 MNRJONJIEGMCTG-SANMLTNESA-N 492.555 2.179 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@H]2c1ccc(O)c(O)c1 1864010266 QXMMXQXDYMRBCJ-IBGZPJMESA-N 452.515 2.110 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670453 PKXXEFTWIIDJRA-UHFFFAOYSA-N 463.586 2.469 10 10 JECE O=C1/C(=C/c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33724218 XRXXVBWLPXMYRM-VQCBNXJZSA-N 490.632 2.437 10 10 JECE CCOCCOC(=O)[C@H](CC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827179 UPHIAYNLYGTSAY-DNZUHHBVSA-N 492.575 2.438 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCO)[C@H]2c1ccc(O)c(O)c1 1864015691 CXWWJRMLEWATJZ-SFHVURJKSA-N 450.495 2.174 10 10 JECE CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870538211 ZTTQZFFJFKECHV-UHFFFAOYSA-N 480.565 2.487 10 10 JECE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33583780 IHYJZFHWNVPRCV-DSQDWWTGSA-N 462.597 2.423 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 33803525 VIRAIWCERBYAEB-RGHBXIHOSA-N 462.597 2.423 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254533155 NHSSIMREKCPHKV-QFIPXVFZSA-N 463.559 2.483 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)NCCc3ccccc3)CC2)cc1 585200578 IUHHACKHRZKBTG-UHFFFAOYSA-N 460.600 2.079 10 10 JECE COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1 1616182447 WVWUZHHMPIMZQJ-HYZYYIOASA-N 493.652 2.231 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865029335 KWNVSPKTJVVVIB-OAQYLSRUSA-N 491.548 2.264 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030280 HGUFXWNCJUECKY-BEFAXECRSA-N 456.543 2.335 10 10 JECE CN(C)[C@@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698265 MHTKCWUCHABFEN-FYYLOGMGSA-N 471.513 2.181 10 10 JECE CCc1nc(N2CCN(C(=O)C3CC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869128719 CFFHPSAMYSBTPA-UHFFFAOYSA-N 450.587 2.433 10 10 JECE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)cc1OC 15051314 UTUABMGIDOBARX-ATTDUZETSA-N 478.548 2.287 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C3CCN(C)CC3)CC2)cc1 1861963948 MZFGYKUUNCXFPA-VWLOTQADSA-N 464.610 2.413 10 10 JECE COc1cc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc([N+](=O)[O-])c1O 2318684074 OSCBOMKYIZAYMA-UHFFFAOYSA-N 495.560 2.400 10 10 JECE COCCN1C(=O)/C(=C/NCCSc2ncc(C(F)(F)F)cc2Cl)C(=O)NC1=S 19358629 WJEFGDWUYACLQI-CSKARUKUSA-N 468.910 2.209 10 10 JECE COc1ccccc1/C=C1/SC(=S)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O 33925677 NHSRSSPYSMWUEJ-WOJGMQOQSA-N 466.544 2.417 10 10 JECE CCOC(=O)[C@H]1CCCN(c2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])C1 40611149 FSQSBGBGXVDWPF-KRWDZBQOSA-N 470.530 2.500 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2)cc1 743362488 DNGFPUBZCIHYIF-RUZDIDTESA-N 485.604 2.329 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865028345 SHCATAFUDKEAPL-HXUWFJFHSA-N 497.939 2.274 10 10 JECE CN1C(=O)C(=Cc2ccc(Sc3nnnn3Cc3ccccc3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 59422476 MBHZHUFLQSNTTQ-UHFFFAOYSA-N 479.478 2.215 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871668076 IADUBXFDUITLDG-QHCPKHFHSA-N 491.596 2.394 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=S)cc1 2314414047 IBKPZRSPZXAEPZ-UHFFFAOYSA-N 450.519 2.203 10 10 JECE CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918461449 CQXYBPRUNPLJGQ-UHFFFAOYSA-N 455.511 2.315 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)NCCNC(C)=O)sc(C)c1-c1ccc(OCC)cc1 1860762549 JSZYUKVFPLHCBC-UHFFFAOYSA-N 461.540 2.490 10 10 JECE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864007013 DAOHBADPSHCNPV-WYRIXSBYSA-N 470.913 2.437 10 10 JECE COc1cccc(OC)c1C(=O)N[C@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867368983 QNTGGODAJVCTGG-YADHBBJMSA-N 498.624 2.204 10 10 JECE Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 20331830 HEVDRGAGZRXLHI-YBFXNURJSA-N 459.487 2.500 10 10 JECE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 105918464 FCFCELOZIXPATO-JXMROGBWSA-N 487.226 2.106 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 1615103653 AZERALNMPAHJQG-RSXGOPAZSA-N 456.583 2.212 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865038356 VGIDUOINJXEHQV-HNAYVOBHSA-N 456.543 2.191 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3Cc3ccc(O)cc3)CC2)cc1 1870369659 ZDPFFDFDQGEJGC-UHFFFAOYSA-N 465.550 2.304 10 10 JECE CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(S(=O)(=O)N(C)C)cc4)nn3c2=O)cc1 1860790588 DKXMBFPMGATURJ-HKWRFOASSA-N 483.619 2.462 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030504 LFANFDTUOCAGGH-FQEVSTJZSA-N 469.586 2.371 10 10 JECE CNC(=O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261009 HXSQKVYFOGCVBM-SFHVURJKSA-N 457.527 2.308 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 2313548046 JTZMVKDJEROHFW-UHFFFAOYSA-N 465.466 2.022 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)CC1 1447710470 KMBSQASMSGMMPY-UHFFFAOYSA-N 450.539 2.399 10 10 JECE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865038073 TXLQDKKBRFMBPU-HXUWFJFHSA-N 470.570 2.438 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3C[C@@H](C)O)CC2)cc1 1870446193 UQLVWGFFYURJIR-LJQANCHMSA-N 487.597 2.280 10 10 JECE COc1ccc(OCCN=c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc[nH]2)cc1 1858253078 ZLDJUCKROKWERC-UHFFFAOYSA-N 463.538 2.369 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010351 LCWWDLQVMMWNBI-HXUWFJFHSA-N 464.522 2.429 10 10 JECE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864018669 QJYAPMUREUBKSH-ZUOKHONESA-N 482.512 2.236 10 10 JECE Cc1ccccc1CN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)CC1 1865028740 ZOCKVBHYQMEXLU-HSZRJFAPSA-N 489.576 2.487 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@H]2c1ccc(O)c(O)c1 1865032204 XVCCBWWKHWFFMO-FQEVSTJZSA-N 491.548 2.400 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865034160 QPHKWCVALPGFML-HNNXBMFYSA-N 481.475 2.192 10 10 JECE CNC(=O)COc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870566703 LWTUKMVRKTWFBY-UHFFFAOYSA-N 494.567 2.491 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)CC2)cc1 742947419 DRMHOPGUJMDNST-UHFFFAOYSA-N 497.640 2.362 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)C1 1508195298 AYOZUIAPPDLWFG-HXUWFJFHSA-N 467.618 2.128 10 10 JECE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705572534 GANVNRGPSNXYOD-UHFFFAOYSA-N 473.512 2.022 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)CC(=O)OCC)[C@@H]2c1ccc(O)c(O)c1 1865033843 IUNBMWJZSLCGAD-OAHLLOKOSA-N 498.458 2.439 10 10 JECE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875390 SOAHPFZSXQTKSR-UPVQGACJSA-N 497.596 2.403 10 10 JECE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC(N(C)C)CC3)n4C)CC2)cc1 1873544153 SJSAUMCQIPZHSS-UHFFFAOYSA-N 477.613 2.470 10 10 JECE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 2040500241 BVSMRXIPOQPSRI-MRXNPFEDSA-N 487.651 2.117 10 10 JECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2cccc(F)c2)CC1 2294311836 VFEDWYDRKQFYJW-UHFFFAOYSA-N 480.500 2.388 10 10 JECE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015256 NLRKBALNJXJOFT-BDJLRTHQSA-N 490.438 2.494 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865028494 WDVPSLGFRPHEDD-NRFANRHFSA-N 479.512 2.322 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2 1865028890 AKQYPHKJBCWTOB-HNAYVOBHSA-N 484.553 2.280 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468048 GFFWPVXVOCCSQQ-DQPIFXJKSA-N 489.667 2.162 10 10 JECE O=C(O)CN1C(=O)/C(=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 33607402 QGLHZICYIJSLGU-ZDBRSUKYSA-N 468.512 2.385 10 10 JECE O=C(O)CN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 101514231 OCNASMMCFDPHQT-BMANGOCTSA-N 482.543 2.126 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCOCC2)cc1 1858074497 JOOLUPJAYPVBEW-DEOSSOPVSA-N 486.638 2.340 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864007132 GNHWZWFGNOVNAJ-NRFANRHFSA-N 472.505 2.369 10 10 JECE COc1ccc(Nc2nc(=NCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561315 FUXJFPFSWUMGIO-UHFFFAOYSA-N 465.558 2.175 10 10 JECE COc1ccc(OC)c(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 2296099271 YMOBNKQXTQKQFD-UHFFFAOYSA-N 493.545 2.245 10 10 JECE CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)CC1 33261570 VHBVQDIYFAYHSU-JOCHJYFZSA-N 493.656 2.192 10 10 JECE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 103732772 SUSDUUKFIXBCFE-XDJHFCHBSA-N 454.508 2.440 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865028738 ZJBSWSWBTRPJBU-IBGZPJMESA-N 468.897 2.143 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC(C)=O)c4)n(C)n3)CC2)cc1 1869969129 GAWXDTLCOOJFGB-UHFFFAOYSA-N 450.499 2.328 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871581661 RERJMQUOQAVGGB-UHFFFAOYSA-N 480.592 2.215 10 10 JECE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCCN4CCOCC4)cc3)CC2)cc1 1872884564 ZNBKDXZTEWSUDG-UHFFFAOYSA-N 452.599 2.470 10 10 JECE O=C(Cn1nnc2ccccc21)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040496009 NIMDAEZINDDWHD-UHFFFAOYSA-N 467.532 2.178 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 2297639493 WRCGZELKTUXIHB-QGZVFWFLSA-N 498.536 2.013 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Cn3ncc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 57998476 NDIWXUYVBRMXRJ-UHFFFAOYSA-N 474.565 2.133 10 10 JECE COc1ccc(N2CCN(c3nc(N)c([N+](=O)[O-])c(=Nc4ccccc4OC)[nH]3)CC2)cc1 1871312583 FWYZYEXCQODZDR-UHFFFAOYSA-N 451.487 2.476 10 10 JECE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2296879867 HABIBCXBVWETKD-VIFPVBQESA-N 471.310 2.291 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccccc21 1076221421 OYWBHZFPCVDCEA-HTCVQUQYSA-N 487.487 2.400 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 1860826774 MHPGVWCZOXZOTO-MRCUWXFGSA-N 495.582 2.438 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864014106 NMMQXDHMYYFBTK-NRFANRHFSA-N 499.612 2.190 10 10 JECE C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016524 FLBNHNSZJVEERP-HNNXBMFYSA-N 480.480 2.315 10 10 JECE COc1cc(C=C2C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1O 2297617506 XXUFZRPLKQTTPE-UHFFFAOYSA-N 465.203 2.067 10 10 JECE O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(/N=N/c2ccccc2)cc1 1078372774 QFZADYZIHVZGGT-AOWCCEDESA-N 475.465 2.106 10 10 JECE COc1ccccc1NCCC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890960 HGUMGSVHBLEAGS-NRFANRHFSA-N 487.512 2.388 10 10 JECE Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(C)C3=O)oc2N2CCOCC2)cc1 2040520509 IYNXEIQERNLJQA-UHFFFAOYSA-N 465.578 2.483 10 10 JECE COC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2297454361 VKRVWENEWDBMJQ-ZDUSSCGKSA-N 463.537 2.339 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1 678068 JFDJMLCOXWQSMX-LDADJPATSA-N 487.335 2.349 10 10 JECE COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 101122739 XANVGENGDJPQIA-SDXDJHTJSA-N 484.534 2.449 10 10 JECE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 575338648 NUCMFNFBECGZSA-GLOJMNGXSA-N 489.437 2.311 10 10 JECE in-vitro O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1076124126 BGFKFJZQPNMPCI-ZQZZXFAYSA-N 487.487 2.400 10 10 JECE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H]4CCS(=O)(=O)C4)c4ccccc34)[C@@H]21 1860347245 DTTSXALGGNEXGS-UPCLLVRISA-N 478.574 2.092 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865025663 BIEVGACUKCATGV-XMSQKQJNSA-N 494.523 2.468 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2040469170 AQQOWWPJLPSZNX-UHFFFAOYSA-N 474.608 2.467 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCO)nc12 34262851 AYGSOZRWVLRZGX-LUYJPIOASA-N 460.581 2.177 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC)[C@@H]2c1ccc(O)c(O)c1 1864022749 QFPMJTXKFGBKCE-CYBMUJFWSA-N 456.421 2.180 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864023205 VQLYYNWJMIZCDX-OAHLLOKOSA-N 483.491 2.486 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 727842819 GIOGWKYBCZLGOY-LJQANCHMSA-N 487.626 2.024 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C(F)(F)n3cc(-c4ccccc4)nn3)cc2)CC1 1556199659 RJNWREBFJHGZPA-UHFFFAOYSA-N 454.481 2.479 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865026298 LWFXTBPXHCUUCQ-FQEVSTJZSA-N 455.559 2.260 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C(=O)OC(C)(C)C)C1CCNCC1)=C(N)O2 1865028225 RXGXKUQBTMMEJU-LJQANCHMSA-N 499.568 2.350 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2040498278 GUSFOIFAVSZIKA-UHFFFAOYSA-N 473.624 2.074 10 10 JECE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1O 2297342825 HHTHESCEGWRIED-UHFFFAOYSA-N 480.214 2.377 10 10 JECE Cc1c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392958 VBCNXJVLFKVJPW-FBJMNJBLSA-N 476.649 2.499 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCO)[C@@H]2c1ccc(O)c(O)c1 1864015690 CXWWJRMLEWATJZ-GOSISDBHSA-N 450.495 2.174 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034121 POZHUQHIHGRMLM-OAHLLOKOSA-N 482.459 2.259 10 10 JECE CCCNC(=O)COc1cn(CCCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680651 QKOALHQLFQEVKM-UHFFFAOYSA-N 486.613 2.121 10 10 JECE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875205992 HCQFUCSWNBMVKS-UHFFFAOYSA-N 479.585 2.360 10 10 JECE CC1CCN(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)CC1 1860826598 JFPOXOVDEUYUBI-HNENSFHCSA-N 473.576 2.338 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC)[C@H]2c1ccc(O)c(O)c1 1864022751 QFPMJTXKFGBKCE-ZDUSSCGKSA-N 456.421 2.180 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865027234 WNGMCRNKBWMJEW-JOCHJYFZSA-N 490.564 2.234 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)CC2)cc1 2330567349 SZNNYCUVVKOIMO-SFHVURJKSA-N 481.549 2.496 10 10 JECE CN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)ccc21 11857987 IKGGBOJAYVNKGQ-UHFFFAOYSA-N 456.505 2.461 10 10 JECE O=C(O)COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 210409999 AWOBRTHFLYKWER-GDNBJRDFSA-N 450.519 2.245 10 10 JECE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020439 ZBUBCPCJPFDAKJ-SFHVURJKSA-N 470.913 2.302 10 10 JECE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869971071 WRNCQSZTBOLSLL-SFHVURJKSA-N 476.603 2.102 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540829 FTUPJTBJEODSJT-UHFFFAOYSA-N 465.558 2.243 10 10 JECE C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2)C1=O 12022007 HDBQUCGAIXHOCI-IERDGZPVSA-N 458.584 2.098 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)N4CCN(C(C)=O)CC4)[C@@H]3C2)cc1 245329660 VERQQNIZZUOEKR-AHWVRZQESA-N 478.593 2.262 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccnn4CC)c(=O)n32)cc1 254395999 DLMNEMOEYQIMMJ-QFIPXVFZSA-N 479.606 2.471 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864018612 PCYMTEXCBYUVNX-FQEVSTJZSA-N 479.537 2.478 10 10 JECE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)N(C)C)ccc4n3)CC2)cc1 32985186 QMGQFAILBQNDMK-UHFFFAOYSA-N 485.566 2.487 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(N4CCCC4=O)c3)CC2)cc1 49512257 UAJBHUQDFNZCHG-UHFFFAOYSA-N 479.581 2.007 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 585198721 IQGCJRLFARFBGI-GOSISDBHSA-N 470.551 2.474 10 10 JECE O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)NCCc1ccc(O)c(O)c1 1860358991 KIDRLVAUBYBDMH-UHFFFAOYSA-N 451.501 2.396 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 2297307460 AXZDWQMSNSOZHK-UHFFFAOYSA-N 487.335 2.349 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008793 SIGWZFYGAKXBII-QFIPXVFZSA-N 477.565 2.332 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864022218 KTTVYWJPMURWDB-AWEZNQCLSA-N 469.464 2.096 10 10 JECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865030527 LPEVOHPCGGECHR-IFXJQAMLSA-N 456.543 2.192 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865038357 VGIDUOINJXEHQV-KXBFYZLASA-N 456.543 2.191 10 10 JECE CCCCNC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870517913 AQPUVFYLBMELAZ-UHFFFAOYSA-N 499.656 2.036 10 10 JECE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297346364 ZFIZMFAHNFGOCJ-UHFFFAOYSA-N 474.476 2.129 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314836391 DVWQTIAUDNSGLC-LLVKDONJSA-N 463.562 2.268 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cnn(C)c4C)c(=O)n32)cc1 254883455 GZSLRTQDSCXHIR-QFIPXVFZSA-N 479.606 2.296 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)CC2)cc1 742916113 CPCBBKGJILUCEY-HSZRJFAPSA-N 463.586 2.484 10 10 JECE CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CO[C@@H]3CC(=O)N3CCC(C(N)=O)CC3)C2)cc1 1614931291 NGOYLLDHWVIALK-QPTUXGOLSA-N 456.631 2.484 10 10 JECE COCC(=O)N[C@H](CSCc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278731 XVDNREWSLVPFSW-JOCHJYFZSA-N 457.596 2.408 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871601570 WUHUSNIEKLBSCC-UHFFFAOYSA-N 463.586 2.469 10 10 JECE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927593 HUZWNNMJIWQCTR-QWHCGFSZSA-N 453.494 2.448 10 10 JECE COc1cc(/C=C2/SC(N3CCN(Cc4ccc(F)cc4)CC3)=NC2=O)ccc1OCC(N)=O 20413989 CNJQUYMPCNPCEV-FYJGNVAPSA-N 484.553 2.487 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871483764 SPDUTANDXRGUHS-UHFFFAOYSA-N 476.629 2.466 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008269 HBSXAVJLZMUJRG-HXUWFJFHSA-N 497.939 2.192 10 10 JECE COCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169399 MWSFSMLUCHKFLZ-UHFFFAOYSA-N 466.582 2.132 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875202850 ZZVYCOITXRDQEM-UHFFFAOYSA-N 493.612 2.166 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 727742740 DMKMCQKOBLXLFF-UHFFFAOYSA-N 453.568 2.360 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)cc2)CC1 1296399750 LWQBCJRBZIWWCA-OALUTQOASA-N 451.571 2.294 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028364 SUFKURZHCMOORJ-AVRDEDQJSA-N 476.533 2.329 10 10 JECE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865033113 SAPZJYJXPWRHJH-LJQANCHMSA-N 482.924 2.397 10 10 JECE CC(=O)c1cccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 40319330 NTZCCUAJRMOPPM-PKTZIBPZSA-N 460.596 2.384 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC)nc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252669995 JGGZYCRBYUTMDD-JOCHJYFZSA-N 479.606 2.389 10 10 JECE CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862166891 DVCODIBRCJXBBN-XUZZJYLKSA-N 478.593 2.287 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865028693 YBLWGDDNWUIXCZ-QFIPXVFZSA-N 475.549 2.120 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)N3CCCCC3)c3ccccc32)SC1=S 1860827455 YVLMNZPZNZYLQN-ZCXUNETKSA-N 459.549 2.092 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008263 GUJZBBKOSHHGHG-OAQYLSRUSA-N 464.522 2.498 10 10 JECE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864008945 VRCHHAKVNCKSHS-OAQYLSRUSA-N 480.521 2.210 10 10 JECE COc1cc2c(cc1OC)CN(C(=O)C1=C(N)Oc3c(c(C)nn3C)[C@@H]1c1ccc(O)c(O)c1)CC2 1865027325 GRVRYBQBZYEZGT-QFIPXVFZSA-N 492.532 2.436 10 10 JECE CCN(CC)CCCn1cc(OCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870367666 UYDZDKBMUIFMFX-UHFFFAOYSA-N 472.630 2.282 10 10 JECE Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 20331981 RINVHQFYKVPLHF-INSONNONSA-N 451.493 2.287 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)N4CCN(C(C)=O)CC4)[C@H]3C2)cc1 96457090 VERQQNIZZUOEKR-AOYPEHQESA-N 478.593 2.262 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CCCN(C)C3)CC2)cc1 1862002394 KDAARSCSGHBXIX-SQJMNOBHSA-N 480.609 2.119 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864010666 VINYTEHPUMRHTB-OAQYLSRUSA-N 478.553 2.140 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4[N+](=O)[O-])n(C)n3)CC2)cc1 1869969208 JNEOVJGZRLBDQF-UHFFFAOYSA-N 451.487 2.240 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3cccnc3)CC2)cc1 1870358192 WNTFKSXQYNGNJB-UHFFFAOYSA-N 464.566 2.384 10 10 JECE CCCCOC(=O)COc1cn(CCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870763394 JJTAGLKWSAYSLX-UHFFFAOYSA-N 487.597 2.284 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1 1871481133 HETCGPXIUNJDEF-KRWDZBQOSA-N 492.584 2.123 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccccc1 1860760152 UOVXEYZHJFSBIX-CYBMUJFWSA-N 462.480 2.273 10 10 JECE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019975 SPSRIXVJPOTSKA-SFHVURJKSA-N 470.913 2.302 10 10 JECE CCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870528251 KWZHCIIQYJQNLQ-UHFFFAOYSA-N 456.587 2.494 10 10 JECE CCc1ccc(Nc2nc(=NCCNC(C)=O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585161 PXPHKFRABAEDTH-UHFFFAOYSA-N 490.612 2.483 10 10 JECE CC(=O)N1C(=O)C(=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 2294850858 IHNFFVYYGZZHHS-ZCFIWIBFSA-N 455.311 2.387 10 10 JECE Cc1c(N/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 13718510 WEEXUPRKDOVISY-XMHGGMMESA-N 463.469 2.240 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 15038197 LEYHIDQGJMRPQO-WJDWOHSUSA-N 463.562 2.270 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3c[nH]ccc3=NC(=O)OC(C)(C)C)cc2)CC1 1154270932 FSAGUKJZLCDYGP-UHFFFAOYSA-N 453.543 2.449 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4ccc(C)cc4)C3)CC2)cc1 1615146779 GBHPQJCBOZEMBO-RSXGOPAZSA-N 456.583 2.212 10 10 JECE NC(=O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858590517 VAUQMSWKZDBENA-OPOJIDBRSA-N 465.734 2.338 10 10 JECE COc1ccc(N2CCN(C(=O)CN(C)c3nc4c(S(C)(=O)=O)cccc4s3)CC2)cc1 1891468184 VCKGSAYAXDMEPK-UHFFFAOYSA-N 474.608 2.493 10 10 JECE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NCc2cc(Br)cc(F)c2O)C1 2192658427 BPDDXWNNDVMTRB-KGLIPLIRSA-N 467.357 2.416 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1O 252139708 GGUQVLIJQLKMDE-ZDQHKECQSA-N 466.490 2.265 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)cc2)CC1 1296398715 BWCOYMDOYZPNOO-SFHVURJKSA-N 450.539 2.176 10 10 JECE CCCn1cc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861984461 DCCMOHLBVGMHFU-JOCHJYFZSA-N 486.638 2.467 10 10 JECE CCNC(=O)COc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870528267 LOMCOOPNXSNBLD-UHFFFAOYSA-N 491.592 2.137 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873168837 LKKKHWJWDJHXAH-UHFFFAOYSA-N 488.592 2.062 10 10 JECE CC(=O)N1C(=O)/C(=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c2ccccc21 39869945 LXOJYMPETVGJOU-NXVVXOECSA-N 451.416 2.429 10 10 JECE CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cn1C 727249283 RYDOGPSCNNGNLN-UHFFFAOYSA-N 467.598 2.315 10 10 JECE COc1ccc(C(=O)NC2=S=C(C(=O)Nc3ccc(C)c(NS(C)(=O)=O)c3)C=C2)cc1 1543985033 ABXIDTIEZIJSNX-UHFFFAOYSA-N 459.549 2.349 10 10 JECE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2296318925 GHNKANYQAUDYJU-UHFFFAOYSA-N 450.451 2.136 10 10 JECE O=C(O)CNC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314831940 WBIJMEZKPOEETJ-UHFFFAOYSA-N 459.343 2.337 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864022130 UHAXQFHUTRNWMA-IBGZPJMESA-N 457.575 2.419 10 10 JECE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=NCc4ccccn4)[nH]3)CC2)cc1 1871473685 ZUVYSVPWOHLAKG-UHFFFAOYSA-N 483.580 2.065 10 10 JECE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2040498242 GCKIKDDQUIDULO-CQSZACIVSA-N 460.581 2.441 10 10 JECE COc1ccc(N2CCN(C(=O)CC[C@@H]3C(=O)N=C4c5ccccc5NC(=S)N43)CC2)cc1 2186566130 LQRQMASGJFKQSE-HXUWFJFHSA-N 463.563 2.492 10 10 JECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296706725 LTYNPCKLJDQZGU-ZIAGYGMSSA-N 488.591 2.292 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cn(C(C)C)cn4)C3)CC2)cc1 64958288 WBQDMYIAULTIGF-LJQANCHMSA-N 475.615 2.222 10 10 JECE CCOc1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872627583 JNCFOMKWTPJCJP-UHFFFAOYSA-N 495.536 2.386 10 10 JECE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2333602611 LIVDCRHNGLQZGH-GUTXKFCHSA-N 451.745 2.239 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1596144889 VNDGMOZNAPDJTI-GOSISDBHSA-N 476.585 2.405 10 10 JECE CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862045592 VBIAIOGVMXYJIB-HXUWFJFHSA-N 456.499 2.469 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865025660 BIEVGACUKCATGV-AVRDEDQJSA-N 494.523 2.468 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033222 VABBCZVQABCZSN-NRFANRHFSA-N 476.533 2.458 10 10 JECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871586330 OZOQMIGULOWTQS-UHFFFAOYSA-N 474.569 2.334 10 10 JECE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875221772 FOBRNPHAKCFFAO-SFHVURJKSA-N 482.585 2.232 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccc(C)cc3)CC2)cc1 11796530 GJKFOGOACFKKNE-UHFFFAOYSA-N 461.584 2.041 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508182326 GBXUTUNOCGVJME-LJQANCHMSA-N 471.581 2.072 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)CC1 1865025692 BWGYUEGQUPLPAH-JOCHJYFZSA-N 490.564 2.236 10 10 JECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865025719 CHOXTYGELXMVOO-OAQYLSRUSA-N 479.537 2.303 10 10 JECE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865025806 DHWLDNLSGPNWIG-JOCHJYFZSA-N 494.548 2.408 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)c(OC)c1)=C(N)O2 1864019307 IJLRDYVNUSDCJT-OAQYLSRUSA-N 494.548 2.464 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040498283 GXGAKOITBPIJJC-UHFFFAOYSA-N 492.623 2.052 10 10 JECE CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 2297060370 SAVJYQCJXUXDCM-UHFFFAOYSA-N 470.551 2.266 10 10 JECE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)C1 2314399747 DBBIWYBPZKLLJM-BETUJISGSA-N 458.565 2.463 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccc[nH]c4=O)n3)CC2)cc1 21689630 ADXTXOFLVYAILS-UHFFFAOYSA-N 467.551 2.374 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1540936110 QFDFGDFXMLZVMP-LJQANCHMSA-N 494.575 2.483 10 10 JECE COc1ccc(N2CCN(CN3C(=O)C(=Cc4ccc5c(c4)OCO5)NC3=S)CC2)cc1 2040742214 ZHSDTPMTYQJRCM-UHFFFAOYSA-N 452.536 2.261 10 10 JECE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401002 UMFGCANZDOHXLO-KBPBESRZSA-N 488.591 2.292 10 10 JECE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 33372853 RFKQXAADXHUWCT-YBEGLDIGSA-N 463.562 2.183 10 10 JECE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](CC(=O)O)(C(=O)O)[C@@H]3C2=O)cc1Cl 248174672 YJWCTAQGJDLNHW-ORGXJRBJSA-N 458.854 2.102 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccc(OC)c3)N(C)C)CC2)cc1 743362594 GBGOCGQSXBUSSP-XMMPIXPASA-N 455.603 2.428 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008792 SIGWZFYGAKXBII-JOCHJYFZSA-N 477.565 2.332 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864009659 JOXALIGXHKKPCM-HXUWFJFHSA-N 455.559 2.309 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865028495 WDVPSLGFRPHEDD-OAQYLSRUSA-N 479.512 2.322 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865033814 INWUSSCOOVMXQL-INIZCTEOSA-N 495.502 2.438 10 10 JECE Cc1nnc2sc(CCC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12 1867041774 IMQMHCIIGPIXKG-LBPRGKRZSA-N 488.529 2.346 10 10 JECE CC(=O)Oc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301622 FLIMEFXBGFTUQQ-RPBOFIJWSA-N 496.608 2.112 10 10 JECE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 33731127 NSGPCJCCIGQFBK-NTCAYCPXSA-N 458.565 2.305 10 10 JECE CC(=O)O[C@@H]1[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 616584486 BLXLRJMPROSYSS-PZWNZHSQSA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)cc1 1865027832 MCVBBYPNKMHQDS-JOCHJYFZSA-N 491.548 2.192 10 10 JECE Cc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867330901 KPBLULREVXQDLD-RPWUZVMVSA-N 452.599 2.495 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564119 WCMBNDCGTXYOIW-UHFFFAOYSA-N 495.584 2.252 10 10 JECE Cc1ccc(O)c(N=c2nc(N3CCC(N(C)C)CC3)[nH]c(N3CCC(N(C)C)CC3)n2)c1 1871732149 VBFYKCXUBHYJDH-UHFFFAOYSA-N 454.623 2.112 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837164 PCAHQYULDUBMNY-LLVKDONJSA-N 492.560 2.471 10 10 JECE COc1ccc(N2CCN(CCNC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 743277785 DPSPHRUAPMUEHF-UHFFFAOYSA-N 464.570 2.437 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865032036 UGDWVFZENVCTFJ-FOIQADDNSA-N 476.533 2.424 10 10 JECE CCCCCOC(=O)COc1cn(CCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870422708 SQELKWXHULYTKR-UHFFFAOYSA-N 487.597 2.284 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCCN3CCCC3=O)CC2)cc1 1870552106 QKHNRXSDDCDGSW-UHFFFAOYSA-N 454.571 2.200 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cc(OC)ccc3OC)CC2)cc1 1872676681 RESMAQCXQSVPKT-UHFFFAOYSA-N 497.508 2.075 10 10 JECE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2297243971 RFKQXAADXHUWCT-UHFFFAOYSA-N 463.562 2.183 10 10 JECE O=C1Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S[C@@H]1C(=O)N1CCCC1 65021455 QCEFHWQQJSDUJO-SFHVURJKSA-N 461.521 2.251 10 10 JECE CC(=O)c1ccc(S(=O)(=O)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1F 1596695234 NVMWLUXJPWNSCV-UHFFFAOYSA-N 452.479 2.094 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722751648 JTZIDHTXBRFPEI-SFHVURJKSA-N 454.554 2.237 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017501 NVGZMAXTGJAFMZ-YJYMSZOUSA-N 450.495 2.038 10 10 JECE COc1ccc(OCCOc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872638727 GAQHPYIECPPNDO-UHFFFAOYSA-N 468.510 2.436 10 10 JECE CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@@H]1c1ccc(O)c(O)c1 6577975 NPTIRTKTUKFTHJ-LJQANCHMSA-N 464.471 2.190 10 10 JECE aggregator COc1cc(C(=O)NC2=N[C@@H](c3ccc(OC)c(OC)c3OC)CC(=O)N2)cc(OC)c1OC 20530875 MESRGUIRFBXSFF-CQSZACIVSA-N 473.482 2.085 10 10 JECE O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 33933491 IQCIMQHGXYLYBP-JQIJEIRASA-N 488.591 2.377 10 10 JECE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1 96459573 RPCKVJVXPYHZPS-FZKGXIISSA-N 458.477 2.354 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 103040584 WZVNSDRDRQFFNZ-LUYJPIOASA-N 452.579 2.104 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2 1864019132 GRRDPRCNLPRMRV-FQEVSTJZSA-N 480.521 2.422 10 10 JECE CC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869069511 ZOOWNWBFCDRNHD-IBGZPJMESA-N 484.519 2.040 10 10 JECE O=C(CCn1cnc2ccccc2c1=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017755 VDEMTWMGBNFBLW-UHFFFAOYSA-N 480.480 2.317 10 10 JECE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2040501139 XNKPMLCSYDSCQQ-INIZCTEOSA-N 485.635 2.217 10 10 JECE COc1cc(C=C2SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc(OC)c1OC 2296879824 FBIGYENJSZQADL-UHFFFAOYSA-N 465.597 2.078 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934319 ZAAOFFREPISRHQ-LLVKDONJSA-N 459.505 2.488 10 10 JECE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc21 11857880 NIFXZMVEPGRXAY-UHFFFAOYSA-N 458.477 2.401 10 10 JECE COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 21754717 JUQRRXOYDULFGO-HXUWFJFHSA-N 450.580 2.167 10 10 JECE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 33935925 NMBMSTRHMUTXCZ-LUYJPIOASA-N 460.581 2.441 10 10 JECE CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 97361706 CDHZRSBTXCJYSE-WAYWQWQTSA-N 455.603 2.396 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 1615107384 VSTNJCGNAWVBBJ-NOZRDPDXSA-N 460.546 2.042 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 1861940622 FLRAUCJBQOVOQX-SFHVURJKSA-N 455.555 2.499 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)CC1 1865034797 DSWCKJAUFJYMPK-LJQANCHMSA-N 455.559 2.125 10 10 JECE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836520 GGQMMLNCVRHKMD-SFYZADRCSA-N 459.343 2.334 10 10 JECE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 210894775 KCSHIKJTANEZKW-LICLKQGHSA-N 493.588 2.239 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864008154 DOYKIMRABMXAAS-FQEVSTJZSA-N 450.495 2.108 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010756 BMODWFXWFZGAGA-FKIZINRSSA-N 484.940 2.496 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 1872630274 UKXYNXMWTQQAAH-UHFFFAOYSA-N 493.520 2.190 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1 35962927 JAQSQLAPFKCHQQ-QHCPKHFHSA-N 469.561 2.413 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)N4CCN(C(C)=O)CC4)[C@H]3C2)cc1 96457091 VERQQNIZZUOEKR-AZGAKELHSA-N 478.593 2.262 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)CCN1 106264429 NSDNHFREWQDQGG-DEOSSOPVSA-N 456.546 2.280 10 10 JECE CC(=O)[C@H](C)SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1307309078 GOZNYZHVBLMOAI-LUMBYOQCSA-N 452.579 2.443 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865026346 MDXXPXXVVYFERT-JTSKRJEESA-N 494.523 2.468 10 10 JECE COc1ccccc1C(=O)NN1C(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)SC1=S 2297319714 YHGKQZQXXJXQFL-UHFFFAOYSA-N 469.500 2.043 10 10 JECE COc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 2314932288 LSQPHBFGTOVPBP-UHFFFAOYSA-N 452.554 2.082 10 10 JECE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 2253505 VYVGJTCTSZCQKK-UVYNJXETSA-N 492.648 2.459 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(CCOc4ccccc4)CC3)CC2)cc1 916234094 FYPYCIDICZUTAJ-UHFFFAOYSA-N 467.614 2.223 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N=c2nn[nH][nH]2)sc(C)c1-c1ccc(Br)cc1 1860746821 GKHIPOLEGRFJCG-UHFFFAOYSA-N 479.316 2.175 10 10 JECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008957 VUPPGSZTTURSSU-OAQYLSRUSA-N 464.522 2.417 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864020399 YBBPUBMNCCHPCX-HXUWFJFHSA-N 464.522 2.017 10 10 JECE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 2297461288 KUTQJNHTDYKTEO-UHFFFAOYSA-N 459.303 2.045 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314828996 YCELDZAQJGTXMG-UHFFFAOYSA-N 463.562 2.270 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)cc1 742910171 AKIXCGIJNHTROL-NIYFSFCBSA-N 485.629 2.070 10 10 JECE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 1083847827 JTZMVKDJEROHFW-QGOAFFKASA-N 465.466 2.022 10 10 JECE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCc2ccc(N(C)C)cc2)nn1 1616129821 LDUOXRVGZHFFKW-POTDNYQPSA-N 462.598 2.473 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864019168 HLLIJFJRRAIXRK-NRFANRHFSA-N 477.565 2.277 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865034043 NVQVBSKXPZNIGM-CQSZACIVSA-N 484.431 2.049 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865034872 GPJQLNWMYHOHOJ-NRFANRHFSA-N 490.564 2.100 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C(=O)Nc3ccc(F)c(F)c3)C(C)C)CC2)cc1 1868774715 OPUHJSOQWSOBSN-OAQYLSRUSA-N 474.508 2.402 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(N4CCOC4=O)c3)CC2)cc1 742939437 FCAXEXKWZNGGRC-UHFFFAOYSA-N 453.543 2.273 10 10 JECE CS(=O)(=O)CCOc1ccc(NC(=O)C2=S=C(NC(=O)Nc3ccccc3)C=C2)cc1 1147093134 AOZHILZBSMXYTC-UHFFFAOYSA-N 459.549 2.476 10 10 JECE Cc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867826440 XWQQEYWQHIYXDR-ZEQRLZLVSA-N 452.599 2.495 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC(CO)CC5)ncnc4n3C)CC2)cc1 1873543965 KZISKIWPOKKUQL-UHFFFAOYSA-N 464.570 2.148 10 10 JECE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC12CCCCC2 1471370868 YYGAEVCWBZXHRY-UHFFFAOYSA-N 455.603 2.465 10 10 JECE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S)C(=O)O 1772759606 GGQMMLNCVRHKMD-FVLVZYJISA-N 459.343 2.334 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864009883 MRBRIQPTIOPGLB-HXUWFJFHSA-N 465.510 2.224 10 10 JECE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCCO)nc12 34262852 AYGSOZRWVLRZGX-DSQDWWTGSA-N 460.581 2.177 10 10 JECE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 39989663 PUKXDPIJQVRZJD-AYCSXLNKSA-N 492.648 2.037 10 10 JECE CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1565532149 NZWAHZQUPJZOFJ-XQEONZBOSA-N 453.470 2.000 10 10 JECE COc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc(OC)c1OC 1857945529 YJPCLKMSXFSOLM-UHFFFAOYSA-N 489.594 2.459 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 1872672531 LEOKRUXAJBLUNJ-UHFFFAOYSA-N 479.493 2.261 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)cc1 742939464 GNVUFTOGZYENBD-UHFFFAOYSA-N 480.657 2.329 10 10 JECE C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)CS2 800366591 DZVNQKBNCPRNAN-XDHUDOTRSA-N 464.499 2.398 10 10 JECE CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2CC1 1672052010 DCDASCCNKFWMGK-DEOSSOPVSA-N 458.628 2.281 10 10 JECE CN(C)c1ccc([C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)c2nccn2C)cc1 1866268208 MCSCGACMACIWOK-NRFANRHFSA-N 462.485 2.396 10 10 JECE CCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040499425 YADKAYJEISMJBZ-UHFFFAOYSA-N 457.581 2.007 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccn(CC(C)C)c3=O)CC2)cc1 1862018728 PKKVFUUGAJVZFD-QHCPKHFHSA-N 466.582 2.466 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(C)CCC(=O)OCC)[C@@H]2c1ccc(O)c(O)c1 1865026332 MCQWHPGJOWOPGM-LJQANCHMSA-N 458.515 2.119 10 10 JECE COc1ccc(-n2nncc2C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1868143942 FTLDHZNYKSDBFG-UHFFFAOYSA-N 481.468 2.420 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4c(OC)cccc4OC)n(C)n3)CC2)cc1 1869969879 WYSROJVJYMECSC-UHFFFAOYSA-N 452.515 2.420 10 10 JECE CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 196724838 NUCMFNFBECGZSA-SSXICUSMSA-N 489.437 2.311 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)C3)CC2)cc1 1858422601 XDNVMDLIERFTRB-FQEVSTJZSA-N 471.579 2.257 10 10 JECE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccc(OC)c(OC)c4)[nH]3)CC2)cc1 1858541774 TZIDVPNXCHISFO-UHFFFAOYSA-N 493.564 2.448 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864008972 WDNGVAFNCQZFAZ-HKUYNNGSSA-N 470.913 2.338 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865035198 NXISWEWKFMTLBM-KUHUBIRLSA-N 456.543 2.192 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)n(C)n3)CC2)cc1 1869969525 OXYGVXQJIYUFCR-FQEVSTJZSA-N 489.580 2.138 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2326943739 IWGCWMZVCXYOKD-UHFFFAOYSA-N 481.555 2.396 10 10 JECE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccn(CC)n4)c(=O)n32)cc1 2786909 LVNROZZXKIGNIS-BARSGRSVSA-N 479.606 2.471 10 10 JECE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(N4CCOCC4)=NC3=O)c3ccccc32)cc1 33305121 VHXAMJZYNALUJM-QZQOTICOSA-N 478.530 2.353 10 10 JECE Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 34798851 SORCTMMNWAABBS-XMHGGMMESA-N 499.662 2.261 10 10 JECE COc1ccc(N2CCN(c3ncnc(NNS(=O)(=O)c4ccc(C)cc4)c3[N+](=O)[O-])CC2)cc1 40611240 RLGZESZAQPFEEU-UHFFFAOYSA-N 499.553 2.334 10 10 JECE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1749842144 XSIGYQXJRNARGO-GAJHUEQPSA-N 457.598 2.219 10 10 JECE COc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1859005776 MOMHPUBYGVLENG-UHFFFAOYSA-N 499.545 2.492 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)CC2)cc1 1860309224 PTLBUVQPFIOABE-HXUWFJFHSA-N 467.566 2.452 10 10 JECE CC[C@](C)(NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869054023 ZYGKLZOBEHCCBV-DHLKQENFSA-N 453.587 2.327 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1 38588615 CSKQYWUGDFFFDZ-UHFFFAOYSA-N 486.638 2.422 10 10 JECE O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)c1ccc(/N=N/c2ccccc2)cc1 1078372776 QFZADYZIHVZGGT-ZZGLEXMYSA-N 475.465 2.106 10 10 JECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 2295927497 YCBDADFDHFNHEK-UHFFFAOYSA-N 477.477 2.080 10 10 JECE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33452363 AJHNPQJNSVYZCG-BGETUVHESA-N 476.624 2.417 10 10 JECE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106264208 KNSAGTARYZHWLR-QHCPKHFHSA-N 461.566 2.104 10 10 JECE CCOc1cc2c(cc1NC(=O)C(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 743431976 BFZXDYRWIKVKND-GOSISDBHSA-N 482.581 2.294 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccn(CC(C)C)c3=O)CC2)cc1 1862017286 ZIWVPPPROPCTBI-QFIPXVFZSA-N 484.622 2.377 10 10 JECE CC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862305615 OTYIGUJSMMPFKE-NRFANRHFSA-N 455.555 2.499 10 10 JECE COc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867389215 ZCWMXASVOXFEDP-DNQXCXABSA-N 468.598 2.195 10 10 JECE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)C4=NNC(=O)CC4)c3)CC2)cc1 1874725074 KILXGSCBEQLEKR-UHFFFAOYSA-N 463.538 2.295 10 10 JECE CCOc1ccc(N2C(=O)NC(=O)C(=CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)C2=O)cc1 2296938965 ZYJJPICZPZQJHL-NRFANRHFSA-N 476.489 2.407 10 10 JECE CCN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433987 ZDWGKCGVMXMJQW-UHFFFAOYSA-N 458.565 2.259 10 10 JECE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 44455830 VELUMGDVUSVQJK-UHFFFAOYSA-N 462.572 2.050 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762339 CRQTZCPRQBMSMH-AWEZNQCLSA-N 492.506 2.282 10 10 JECE CC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037619 GLZWRCSTQIEHLS-GOTSBHOMSA-N 460.596 2.384 10 10 JECE CC(=O)N1CCN(CCn2c(N(C)Cc3ccc(N4CCOCC4)cc3)nnc2C(C)(C)C)CC1 1359402736 LJCZVJVCKNLDEX-UHFFFAOYSA-N 483.661 2.213 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)CC2)cc1 1858403324 JBVRIDGYOCZGKC-SFHVURJKSA-N 489.594 2.072 10 10 JECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4ccccc4F)c(C)[nH]3)CC2)cc1 1858532268 NMWBYYBYIZFVOV-UHFFFAOYSA-N 465.529 2.412 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017798 VKRUGKBBMUBUHX-JLTOFOAXSA-N 464.522 2.346 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867359810 FHENCVWZSQTHOO-PKTZIBPZSA-N 483.569 2.095 10 10 JECE CCNC(=O)COc1cn(Cc2ccncc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870531325 FWNNSJYBIAYTCT-UHFFFAOYSA-N 491.592 2.137 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 210678637 YZDYLMGGPRFCJK-OQLLNIDSSA-N 451.526 2.313 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 742919624 ACFYAKGQSHHKDV-LJQANCHMSA-N 454.546 2.434 10 10 JECE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705517352 ULQXELKUQGXUAX-NRFANRHFSA-N 471.627 2.457 10 10 JECE COc1cc(N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1858044159 JNMOQIIDJFAJKA-UHFFFAOYSA-N 453.495 2.094 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010974 COXNMHIXBUTDBO-FKIZINRSSA-N 484.940 2.496 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864012798 JIJXNODVIABZCN-NRFANRHFSA-N 492.580 2.394 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026480 JZAQNFWGNGNJIS-NRFANRHFSA-N 461.522 2.061 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865030567 MEIWSYSUEYWTID-HXUWFJFHSA-N 488.585 2.473 10 10 JECE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866640933 KIXLNBSIBXMDPU-SFHVURJKSA-N 471.425 2.439 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3Cc3ccc(F)cc3)CC2)cc1 1870666914 IJKPDOWLQHVKSJ-UHFFFAOYSA-N 480.540 2.231 10 10 JECE CCCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873573331 FEKKTQRGHWJFRI-QGZVFWFLSA-N 452.559 2.287 10 10 JECE CN(C)c1ccc(CN[C@@H]2C[C@@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 1616186539 FNFLSPXNUOWCAH-GZGNHOFSSA-N 461.610 2.153 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864008973 WDNGVAFNCQZFAZ-IEBWSBKVSA-N 470.913 2.338 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864018606 PBPNQUPSFMXLMK-FQEVSTJZSA-N 487.520 2.018 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2 1864019526 LDHFHXROODUNEP-IBGZPJMESA-N 478.505 2.191 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 2297351379 RGNKHROAVWPUAI-UHFFFAOYSA-N 460.490 2.379 10 10 JECE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008427 KCPYZRSBPQKXOG-HXUWFJFHSA-N 497.939 2.192 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864009438 HKFJLHSNIBAYEO-FQEVSTJZSA-N 466.542 2.356 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865029213 IORZWBXSNBNTDC-HXUWFJFHSA-N 462.506 2.134 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccn3C)CC2)cc1 1865345752 UUKRQVBXOLSUCC-NRFANRHFSA-N 462.554 2.119 10 10 JECE CC[C@@](C)(NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868899514 UXQYPBZGIAWTNL-HSZRJFAPSA-N 485.614 2.069 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)cc2C)C1 1540936257 UHZQKCNCKORBAX-HXUWFJFHSA-N 467.618 2.241 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)nc4sccn34)cc2)CC1 1622026749 NLHXKALJDVPTDU-UHFFFAOYSA-N 453.977 2.196 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028216 RTYXFRHXGJCXPA-JOCHJYFZSA-N 491.548 2.069 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2 1865032479 CZVDRPQYQHUUKV-QFIPXVFZSA-N 489.576 2.433 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934323 ZAAOFFREPISRHQ-NSHDSACASA-N 459.505 2.488 10 10 JECE CC(=O)OCc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(OC(C)=O)cc(OC(C)=O)c1C2=O 206917440 CQNJXAXEBGJNGF-UHFFFAOYSA-N 454.387 2.301 10 10 JECE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019276 XPVHNXJNMGXFLB-IBGZPJMESA-N 484.940 2.362 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867856263 PMTHUOIVMIGPBT-GOTSBHOMSA-N 456.562 2.326 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498440 KAJALAHPEPDUDV-UHFFFAOYSA-N 487.651 2.383 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 1615103651 AZERALNMPAHJQG-AOYPEHQESA-N 456.583 2.212 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCO)[C@@H]2c1ccc(O)c(O)c1 1864016812 XXKLREBONASUQW-GOSISDBHSA-N 450.495 2.174 10 10 JECE COC(=O)COc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870448890 KGTYDJBGUUONBB-UHFFFAOYSA-N 493.560 2.485 10 10 JECE COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210678910 NGSQBSNCUXCQHH-MHWRWJLKSA-N 463.562 2.183 10 10 JECE CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616584482 BLXLRJMPROSYSS-LZQZFOIKSA-N 475.669 2.181 10 10 JECE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C1=O 1083967877 VVZSPRBIUPUSIF-PDGQHHTCSA-N 467.482 2.321 10 10 JECE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(C)n3)CC2)cc1 1869290163 YWFVOSMCYXIMNU-UHFFFAOYSA-N 493.656 2.255 10 10 JECE CCN(CC)CCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873865726 VAUSYIKXRPHGAF-UHFFFAOYSA-N 466.490 2.384 10 10 JECE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1O 1176745245 TXYLOTZLVPCXLH-SJORKVTESA-N 458.964 2.467 10 10 JECE NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864014947 GSXOAYFTPYJLID-MRXNPFEDSA-N 490.438 2.165 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864016620 UGVRQEZIVJZNPZ-SCLBCKFNSA-N 450.495 2.173 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)CCO)[C@H]2c1ccc(O)c(O)c1 1865033468 ALKSWZZHFDWTDS-AWEZNQCLSA-N 470.448 2.114 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868934049 ZEMDVSZGBMGXFY-UHFFFAOYSA-N 469.492 2.453 10 10 JECE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n3ccccc3nc21 1875239099 UGVQJHLIQADCNZ-UHFFFAOYSA-N 461.522 2.267 10 10 JECE O=C1/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 39729201 GALYJPPNPKCQON-DTQAZKPQSA-N 460.581 2.259 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 727941902 LJIKLDJSGRBJAB-UHFFFAOYSA-N 487.626 2.104 10 10 JECE Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]31)C(=O)N2 1565532411 ZLTOLWCUPRACIL-KGPRRQHISA-N 461.518 2.312 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622240 HKGAFJMYXUIZTB-UHFFFAOYSA-N 476.585 2.493 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3nn(-c4ccccc4)cc3C)CC2)cc1 730679563 GWMCBOHMZQTZES-UHFFFAOYSA-N 462.554 2.066 10 10 JECE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865031622 KXKCGYIPHXJWLX-GPCCPHFNSA-N 468.432 2.181 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=O)N(c4cccc(Cl)c4)C1=O)N(C)CC3)OCO2 2297639403 PRRMHMWHKWJYKF-QGZVFWFLSA-N 498.923 2.363 10 10 JECE CCOC(=O)C1CCN(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)CC1 34256251 JBSUBNDIBIBGNM-PTNGSMBKSA-N 466.357 2.356 10 10 JECE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccnn4CC)c(=O)n32)cc1 254395998 DLMNEMOEYQIMMJ-JOCHJYFZSA-N 479.606 2.471 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)CC2)cc1 742919053 BEKXCZBJXMHLKT-BGYRXZFFSA-N 453.587 2.256 10 10 JECE CCCC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181982 KCKOAHFPYQONOH-UGKGYDQZSA-N 458.603 2.276 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865034706 CEMGTJZIWLLHEG-BEFAXECRSA-N 456.543 2.335 10 10 JECE CN(C)c1ccc([C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)c2nccn2C)cc1 1866268209 MCSCGACMACIWOK-OAQYLSRUSA-N 462.485 2.396 10 10 JECE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(NC(C)=O)c4)c(=O)cc3O)CC2)cc1 1870130823 RWYKQFJBWDDSRE-UHFFFAOYSA-N 462.506 2.473 10 10 JECE CCOc1ccccc1NC(=O)COc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1872677612 FJNCNUHZMMAOQR-UHFFFAOYSA-N 481.509 2.457 10 10 JECE CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2 35963465 QUQRZQIRDOQPSH-IBGZPJMESA-N 455.515 2.109 10 10 JECE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731406497 MRWBEQMNRBWQEX-FQEVSTJZSA-N 459.568 2.302 10 10 JECE CCc1cccc(C)c1N1C[C@@H](C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O 1862187279 HYTCGYGGTFORJT-NRFANRHFSA-N 478.593 2.384 10 10 JECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864019207 HXDUFZXTJLGSMB-HXUWFJFHSA-N 464.522 2.456 10 10 JECE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@@H]2c1ccc(O)c(O)c1 1865032205 XVCCBWWKHWFFMO-HXUWFJFHSA-N 491.548 2.400 10 10 JECE CC[C@@](C)(NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066567 WUHVEWNMFOTUPX-BTOOTBGFSA-N 499.700 2.435 10 10 JECE CCOCCCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870355976 GBMSQDDAIZOOIX-UHFFFAOYSA-N 459.587 2.367 10 10 JECE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)[C@@H](C)C1 1508236070 FUXMTHBYMYNSSN-SFHVURJKSA-N 463.586 2.498 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@@H](CCC(=O)N2CCc4ccccc42)N3C)cc1 1616164961 YOLGUBGGAMTWAT-DFZDUAMZSA-N 475.637 2.495 10 10 JECE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC)c2C(=O)OC)cc1 1860763677 MTPDCXLPKJAMMH-UHFFFAOYSA-N 461.540 2.442 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1 1868990503 XTBJZYXKECDQMA-QGZVFWFLSA-N 462.554 2.391 10 10 JECE CCOC(=O)CCCOc1cn(C[C@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870371355 AZQUYODBYNMBNG-FQEVSTJZSA-N 487.597 2.282 10 10 JECE COCCNC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945266 DWCPNAFSSVZGAL-UHFFFAOYSA-N 461.565 2.470 10 10 JECE CCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccc(N(C)C)cc4)ccc32)no1 64947255 LLYXKJOIZQALBG-UHFFFAOYSA-N 457.512 2.133 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)CC2)cc1 1858401204 FSNZPXORYAYLKD-LJQANCHMSA-N 473.595 2.372 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865032656 HVJCJIBDMPATGI-NRFANRHFSA-N 475.549 2.315 10 10 JECE Cc1ccccc1C(=O)N[C@@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867903469 KXFFXHJPYZBMMP-ZEQRLZLVSA-N 452.599 2.495 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCNC(C)=O)CC2)cc1 1870438124 GHWBQMSBNAINNU-UHFFFAOYSA-N 456.587 2.350 10 10 JECE Cc1ccc2nc(NCCCO)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33753031 SSESJDVKDRUCQO-DWKHYPNZSA-N 460.581 2.177 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)cc2)CC1 1625198714 KJUAQYOESSIJJI-GOSISDBHSA-N 456.493 2.303 10 10 JECE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015008 HYMFUTPYUSKNLY-CYBMUJFWSA-N 456.421 2.086 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672103 SVHYJXRFGYPBLU-IBGZPJMESA-N 463.586 2.204 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 616586372 NXSDPOSAOAWHFZ-PZWNZHSQSA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cccc(F)c4F)C3)CC2)cc1 1615104529 DUFCJUMJZDGKHY-RCZVLFRGSA-N 478.536 2.181 10 10 JECE Oc1ccccc1CN[C@@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 1615259151 DKWLIICYZCUBNZ-BAGYTPMASA-N 451.489 2.451 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865026667 QVWRJLKWXRRRBW-NRFANRHFSA-N 482.512 2.326 10 10 JECE CCOC(=O)CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870452751 YBNOLXHHCKXQON-UHFFFAOYSA-N 486.613 2.073 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 1872642058 UBKKCJBATVPHCQ-UHFFFAOYSA-N 493.520 2.190 10 10 JECE Cc1ccc(N2C(=O)[C@H](C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 2313558611 FTACWOTWDBYNBJ-CQSZACIVSA-N 496.545 2.181 10 10 JECE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990309 CEUKONKYNJADRN-ATVHPVEESA-N 490.607 2.341 10 10 JECE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 33442249 FEPUETDKRKKECF-AOHITCTBSA-N 490.632 2.073 10 10 JECE CCCCN(C)C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826247 CQYRKZNCKCBNHP-ZCXUNETKSA-N 461.565 2.338 10 10 JECE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864018248 GQQCJQVHJFKKSA-NRFANRHFSA-N 495.555 2.417 10 10 JECE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccc(O)c(O)c1 1865032371 AZODDCMMWUQJIW-LJQANCHMSA-N 472.542 2.280 10 10 JECE Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc3ccccc13)c(=O)n2C 10909846 VUYWRCIOUBNABY-QFIPXVFZSA-N 469.501 2.198 10 10 JECE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 727600900 MXYOVXBSDUJECB-LJQANCHMSA-N 467.570 2.394 10 10 JECE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 1772719563 UMFGCANZDOHXLO-RJLQUFMYSA-N 488.591 2.292 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)CCO)[C@H]3c2ccc(O)c(O)c2)cc1 1865026822 BBJPFOKFWKHOON-NRFANRHFSA-N 464.522 2.105 10 10 JECE COc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc(Br)c1O 2323813395 GZCQVJXRBYROAR-SECBINFHSA-N 475.342 2.083 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(OCC(F)F)cc3)cc2)CC1 1309400908 JSQFWGAGQNLHCH-UHFFFAOYSA-N 453.511 2.478 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 1615105180 JSWFKAUTRILNEY-NOZRDPDXSA-N 478.536 2.181 10 10 JECE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567560 YSXIMTWUZJNFRL-JOCHJYFZSA-N 481.626 2.200 10 10 JECE CCCn1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861984463 DCCMOHLBVGMHFU-QFIPXVFZSA-N 486.638 2.467 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864012810 JTDFQDIWCUJWPY-VFNWGFHPSA-N 478.549 2.487 10 10 JECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865029169 HOPHIUJYBLLOEO-YWZLYKJASA-N 456.543 2.184 10 10 JECE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031315 DVMFPUFOEWSTAX-SFHVURJKSA-N 450.495 2.034 10 10 JECE COCCOC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870474710 OESJPCMSPVFXQX-UHFFFAOYSA-N 487.597 2.404 10 10 JECE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ncncc32)=C[C@H]1O 2136288299 HMERPNFNWBCXHI-GOEBONIOSA-N 461.519 2.149 10 10 JECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 2297352186 CKTAOFKRWUQGPT-UHFFFAOYSA-N 452.511 2.198 10 10 JECE COc1ccc(N2CCN(C(=O)Cn3nc(C)n4c(cc5c(OC)cccc54)c3=O)CC2)cc1 20862787 AXLUBXUZGGDTKS-UHFFFAOYSA-N 461.522 2.324 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)cc2)CC1 1634074359 MMDJCQSMMRXHBF-RTBURBONSA-N 466.529 2.377 10 10 JECE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1722749260 PDXSFAVQHGLRMA-LJQANCHMSA-N 455.607 2.144 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007180 HICVEHJYXIJXFP-JOCHJYFZSA-N 493.564 2.363 10 10 JECE O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 8661062 JYZMQQFMQMOCHV-QGOAFFKASA-N 476.464 2.306 10 10 JECE CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1 21876967 MNRJONJIEGMCTG-AREMUKBSSA-N 492.555 2.179 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccnn3CC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254317385 KZGZCCAITCUIJL-NRFANRHFSA-N 465.579 2.081 10 10 JECE CC(=O)OC[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 616625501 NXSDPOSAOAWHFZ-DGORSVRFSA-N 475.669 2.181 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 1862161411 ZXSFKMYZDXQMHL-TUNNFDKTSA-N 478.593 2.458 10 10 JECE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCOC)C2=O)CC1 2053515890 OJLXGIJQGXOBBQ-UHFFFAOYSA-N 487.651 2.383 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314836924 LUVQWSMJQRNZHZ-NSHDSACASA-N 463.562 2.268 10 10 JECE C[C@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)c1ccc(N2CCOCC2)cc1 920865445 CMIQSBRUIPWDEU-FUHWJXTLSA-N 473.551 2.000 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(O)cc3)CC2)cc1 1865110155 APUAPTCTPWZYOC-QFIPXVFZSA-N 475.549 2.486 10 10 JECE CCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868897872 FITADDRWSRQPFP-LJQANCHMSA-N 485.614 2.069 10 10 JECE O=C1C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2295982113 GALYJPPNPKCQON-UHFFFAOYSA-N 460.581 2.259 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CC1 1595944907 PULKQJWTUBMKCX-INIZCTEOSA-N 498.700 2.266 10 10 JECE CC[C@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862018300 LMAOAEDYSRZRSS-QFIPXVFZSA-N 454.571 2.370 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(C)CCC(=O)OCC)[C@H]2c1ccc(O)c(O)c1 1865026330 MCQWHPGJOWOPGM-IBGZPJMESA-N 458.515 2.119 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)O)N[C@H]2c1cccc(OC)c1O 253383300 LCOWBDFHGABZJT-GEHPGYCUSA-N 482.533 2.180 10 10 JECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1858956463 GNJOCRVZWCVSIG-UHFFFAOYSA-N 469.475 2.405 10 10 JECE COc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307557 BYWNXMLUBRXTNS-DHIUTWEWSA-N 498.624 2.204 10 10 JECE CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1871342447 INAYPGGTADMTIL-UHFFFAOYSA-N 450.472 2.388 10 10 JECE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCCC(=O)O 16912063 PVSVDMYPQFHDTF-LFIBNONCSA-N 459.505 2.490 10 10 JECE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 27570547 MXHKFFUQNASUAN-UNOMPAQXSA-N 469.450 2.372 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(OC(C)=O)cc3)CC2)cc1 1862066083 DKRGQWINSRLROH-QFIPXVFZSA-N 469.563 2.484 10 10 JECE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010352 LDQNCVAJWRMENU-FQEVSTJZSA-N 464.522 2.348 10 10 JECE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)c2)CC1 1616450901 KCKUSFATQDIXJG-UHFFFAOYSA-N 456.568 2.357 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]3c2ccc(O)c(O)c2)c1 1864011077 DJMQJBVAMOHCQJ-OYHNWAKOSA-N 478.549 2.459 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864020042 UWUJRHKYNOGBNN-NRFANRHFSA-N 478.549 2.407 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1 1865034353 UKIUCYHHDZWAGQ-XHDPSFHLSA-N 482.459 2.259 10 10 JECE O=C(O)CN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2297506129 OCNASMMCFDPHQT-OAHLLOKOSA-N 482.543 2.126 10 10 JECE CNC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871018943 ZLOKLVVBOCNHTO-UHFFFAOYSA-N 466.538 2.338 10 10 JECE O=C(Nc1c(I)ncnc1I)c1cc(O)c(O)c(O)c1 2188918989 JDTIXHKESDFYSM-UHFFFAOYSA-N 499.002 2.055 10 10 JECE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5)n3)cc21 11857968 QZSLMAWANOCWHW-UHFFFAOYSA-N 456.505 2.461 10 10 JECE O=C1Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S[C@H]1C(=O)N1CCCC1 65021454 QCEFHWQQJSDUJO-GOSISDBHSA-N 461.521 2.251 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)cc1 1860761493 VXJGLRAQIIHHJG-CYBMUJFWSA-N 462.480 2.191 10 10 JECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864021921 RSEIFGHGOKTFFD-IBGZPJMESA-N 457.575 2.275 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CCO)[C@H]2c1ccc(O)c(O)c1 1865034448 WQXRZVPWAGFGFL-AWEZNQCLSA-N 470.448 2.259 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590375 CFIRMXFLTYQYPT-UHFFFAOYSA-N 463.586 2.205 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314836923 LUVQWSMJQRNZHZ-LLVKDONJSA-N 463.562 2.268 10 10 JECE CCOc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCC(=O)O 2314932724 OYLUOLZRMXZXRN-UHFFFAOYSA-N 466.581 2.472 10 10 JECE C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 247965813 QMRGGXGODFCXPC-NLDJYOPPSA-N 490.266 2.356 10 10 JECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1CCOC2(CCN(S(C)(=O)=O)CC2)C1 575544467 WCANOGVJPNKEGT-NRFANRHFSA-N 479.643 2.093 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1 15786568 IJRXRIAOHVSMHX-UHFFFAOYSA-N 467.975 2.239 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(=O)n(Cc4cccc(F)c4)c3)CC2)cc1 1862007805 OBYGDOSVUUEUJJ-UHFFFAOYSA-N 478.524 2.123 10 10 JECE CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015158 KNXUGUACDYBMBC-CYBMUJFWSA-N 456.421 2.088 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)n(C)n3)CC2)cc1 1869969585 QYCYBAFKWYCFIB-UHFFFAOYSA-N 467.486 2.319 10 10 JECE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1ccc(S(N)(=O)=O)cc1 2297734903 MBOZXEWCRTXFRV-UHFFFAOYSA-N 457.512 2.461 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4nc(Cl)cnc4c3)cc2)CC1 1661394726 HHXORXLWMIIIJD-UHFFFAOYSA-N 459.959 2.430 10 10 JECE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 1858595501 BTVFXFMCQZERFR-AHSSXEFNSA-N 466.537 2.063 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4ccc(C)cc4)c3=O)CC2)cc1 1862022638 VTLGKYIBHGTVGE-UHFFFAOYSA-N 474.561 2.292 10 10 JECE CC[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862129981 PLLLAOSFCQNVSJ-OAQYLSRUSA-N 472.973 2.322 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010915 BVBAKXVQWOWMFK-FQEVSTJZSA-N 484.940 2.498 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2 1865028729 ZBERQHAMDOLQQH-QFIPXVFZSA-N 475.549 2.179 10 10 JECE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2995605 FEPUETDKRKKECF-RGHBXIHOSA-N 490.632 2.073 10 10 JECE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(N3CCN(C)CC3)C2=O)cc1OC 35519923 LYGCXEYVFFGZCV-ATVHPVEESA-N 451.570 2.001 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 252139706 GGUQVLIJQLKMDE-GBWYYYKWSA-N 466.490 2.265 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 585203250 FJSWWDYSJWLUNH-UHFFFAOYSA-N 476.555 2.088 10 10 JECE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864008845 TWFIYOFWCXSOOX-LJQANCHMSA-N 470.913 2.439 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1 1865027541 JKCNJJUXCRHWFQ-JTSKRJEESA-N 492.532 2.278 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccn(C)c3=O)CC2)cc1 1862023274 UHRALMNPWLSKCD-XMMPIXPASA-N 474.561 2.084 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022220 KTTVYWJPMURWDB-CQSZACIVSA-N 469.464 2.096 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027751 KLYPOACWMYFBMZ-OAQYLSRUSA-N 478.505 2.154 10 10 JECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)=C(N)O2 1865027870 MRRPGJKDALXYRK-IBGZPJMESA-N 499.568 2.350 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccc(=O)[nH]c4)n3)CC2)cc1 21689993 DPMLVFVJSPWNKD-UHFFFAOYSA-N 467.551 2.374 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCN3C(=O)CCc4cc(F)ccc43)cc2)CC1 1616253050 ZJNASZMIHZNQQX-UHFFFAOYSA-N 452.530 2.480 10 10 JECE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CC(O)C2)[C@H]3c2ccc(O)c(O)c2)c1 1865026991 CLJKOYIJILPYMT-QFIPXVFZSA-N 476.533 2.166 10 10 JECE CCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870568743 IKJMIKLDIWPUMC-UHFFFAOYSA-N 456.587 2.494 10 10 JECE CCOC(=O)COc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870692139 DKJVHWBWUYNECC-UHFFFAOYSA-N 495.580 2.087 10 10 JECE COc1ccc(N2CCN(CCNC(=O)[C@@H](NC(=O)NCc3ccccc3)C(C)C)CC2)cc1 742919705 CXRZKNHYASITNR-DEOSSOPVSA-N 467.614 2.457 10 10 JECE C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)CS2 800366590 DZVNQKBNCPRNAN-OSPHWJPCSA-N 464.499 2.398 10 10 JECE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 2294124686 YROHFXSBWZKXHE-UHFFFAOYSA-N 488.500 2.175 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1 1615103983 CUHOPLIPUDLOCT-AZGAKELHSA-N 474.573 2.351 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2 1865030334 HZBAEDTUKLHIFM-IBGZPJMESA-N 455.559 2.125 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1 1865035199 NXISWEWKFMTLBM-LIRRHRJNSA-N 456.543 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868991189 PIJGHKVBEDXXAC-UHFFFAOYSA-N 451.502 2.407 10 10 JECE CC[C@](C)(NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066566 WUHVEWNMFOTUPX-BSYJTBJZSA-N 499.700 2.435 10 10 JECE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NC[C@H](C)O)[nH]1 1871558684 AQARYBKXXVCRGK-SFHVURJKSA-N 463.586 2.149 10 10 JECE CC(C)(C)OC(=O)NC1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2080874629 VMCQWSCNDPHXMO-HNNXBMFYSA-N 451.520 2.269 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4cccc(C)c4)c3=O)CC2)cc1 1862032222 BMDXOIIBHXRSHL-UHFFFAOYSA-N 474.561 2.292 10 10 JECE Cc1nc2ncc3c(=O)n(CC(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)ccc3n2n1 1874179971 UEQBFSPPOUSSEQ-UHFFFAOYSA-N 464.441 2.162 10 10 JECE CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@H]1c1ccc(O)c(O)c1 6577976 NPTIRTKTUKFTHJ-IBGZPJMESA-N 464.471 2.190 10 10 JECE aggregator CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2CC(=O)NCC2CC2)cc1 248083840 WAUSJPRRZBQQCZ-RBZQAINGSA-N 462.550 2.121 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3sccc3S(=O)(=O)N3CCCCC3)CC2)cc1 742920259 HZPQDBFWFZCHEJ-UHFFFAOYSA-N 492.667 2.483 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@](O)(COc4ccc(C)cc4)C3)CC2)cc1 1615146777 GBHPQJCBOZEMBO-AZGAKELHSA-N 456.583 2.212 10 10 JECE CCc1nn(C)c2c1[C@@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865354680 PDHYPIASQFNTFI-JOCHJYFZSA-N 476.581 2.373 10 10 JECE O=C(O)COc1cccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 16909629 LYVQKVNMKUSHNQ-XNTDXEJSSA-N 450.519 2.245 10 10 JECE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705629532 LJPAHAKQGXQTPG-UHFFFAOYSA-N 464.545 2.374 10 10 JECE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864009235 CQDNWHJNHWQVCX-LJQANCHMSA-N 488.903 2.247 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(N5CCN(C)CC5)ccc4[nH]3)CC2)cc1 1866525688 SQIFYPMUYFTXHL-UHFFFAOYSA-N 461.566 2.251 10 10 JECE CC[C@@](C)(NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869054024 ZYGKLZOBEHCCBV-RCZVLFRGSA-N 453.587 2.327 10 10 JECE COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874180031 WHIJHFMHNWBYQI-UHFFFAOYSA-N 450.472 2.388 10 10 JECE COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 2297475971 VLLPPKHLYWHYGZ-SFHVURJKSA-N 494.573 2.183 10 10 JECE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(=O)O 2314927540 GZVREHUVNQBEKT-VXGBXAGGSA-N 453.494 2.448 10 10 JECE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 104749048 LZHVINLOKNQDCA-WUXMJOGZSA-N 486.384 2.305 10 10 JECE COc1ccc(CCNC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 585200660 KJJYUPNHGLNFIQ-UHFFFAOYSA-N 490.626 2.088 10 10 JECE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)N2CCOCC2)cc1 1858074100 CWSRKBMHJJRBPM-HSZRJFAPSA-N 472.611 2.231 10 10 JECE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCc3ccc(O)c(O)c3)cs2)cc1 1860359115 RJCSITPZYKMKTJ-UHFFFAOYSA-N 490.563 2.215 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864016654 UULNMXOWAMLNCL-QFBILLFUSA-N 462.506 2.488 10 10 JECE CC(=O)Nc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867644205 DEYWPEULJQUVRS-JWQCQUIFSA-N 495.624 2.145 10 10 JECE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047972 GGBGBCIGFMJJDW-VQLBTBKJSA-N 459.343 2.335 10 10 JECE CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1OC 35962980 BUPSSEDRZBBTDM-HSZRJFAPSA-N 481.597 2.282 10 10 JECE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867889653 QLPFVOIDTDVSQR-LOSJGSFVSA-N 481.641 2.253 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)N(C)Cc3ccccc3)CC2)cc1 1872641772 UPHLRLYZIILKJL-UHFFFAOYSA-N 479.537 2.007 10 10 JECE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)O 2294124633 KNJIISQSCKRPMN-UHFFFAOYSA-N 474.809 2.207 10 10 JECE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705569953 IUBIOLWQEJOXIY-HSZRJFAPSA-N 478.622 2.313 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864007948 XXHDSAWYLRWFSV-NRFANRHFSA-N 463.538 2.354 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865031044 XTKYQHUQNFTEPU-IBGZPJMESA-N 456.543 2.335 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NC3CCN(C)CC3)cc1C2=O 1873863725 GIFVKDSHXNIIKZ-UHFFFAOYSA-N 464.474 2.137 10 10 JECE CSc1nc(O)c2[n+](n1)[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)N(C(C)=O)c1ccccc1-2 261363652 VFMZZWZCEWIHEF-GOSISDBHSA-O 471.431 2.294 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)[C@@H](C)C1 1596142414 DZHBPBDRAHLVGW-AWEZNQCLSA-N 451.622 2.112 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864008953 VTZVBYMPMJORGK-QFIPXVFZSA-N 486.532 2.428 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CCOC)CCOC)[C@H]2c1ccc(O)c(O)c1 1865035212 OERCRASACLRGEC-IBGZPJMESA-N 474.558 2.083 10 10 JECE COc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933038 RNTUNZGZVYBAHM-NSHDSACASA-N 459.505 2.488 10 10 JECE Oc1ccccc1CN[C@@H]1CO[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H]1O 1615259188 DKWLIICYZCUBNZ-FCEUIQTBSA-N 451.489 2.451 10 10 JECE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 33474228 AUGFJTXWJNOTFH-LZNAANCOSA-N 474.608 2.265 10 10 JECE CCOCCCN1C(=O)/C(=C\c2c(NCCCO)nc3ccc(C)cn3c2=O)SC1=S 33891266 IPMWWXVYIBGQNV-FOWTUZBSSA-N 462.597 2.425 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008101 BTWNRQDYXPMQRU-HXUWFJFHSA-N 450.495 2.094 10 10 JECE CCN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2296717004 XGQAHFVCRQBXEG-UHFFFAOYSA-N 459.597 2.050 10 10 JECE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc(OC)c1OC 2297345566 ICAOAWYWAHLFIB-UHFFFAOYSA-N 466.541 2.360 10 10 JECE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O 210700556 GOURYOITBHZHFL-GZTJUZNOSA-N 493.588 2.278 10 10 JECE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1705569954 IUBIOLWQEJOXIY-QHCPKHFHSA-N 478.622 2.313 10 10 JECE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705736713 AJXKJBFWBKZVHY-NRFANRHFSA-N 489.642 2.246 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(F)cc1 1860759240 QBJZZNUNDKZQTF-GFCCVEGCSA-N 466.443 2.022 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864023468 ZIXAFDVSCPNMGX-SMDDNHRTSA-N 468.432 2.323 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCOC)CCOC)=C(N)O2 1865030800 RIQODIOWYMYFKU-IBGZPJMESA-N 474.558 2.083 10 10 JECE C[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921753 GTHREQKTPOUPHL-HUUCEWRRSA-N 468.531 2.120 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867842422 DLBXOZJQGVXCKP-XZOQPEGZSA-N 456.562 2.326 10 10 JECE Cc1c(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C 2296931471 OVVBPQTWTIHWFQ-UHFFFAOYSA-N 451.483 2.367 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864018057 BRHHTLCTIWBBOT-LJQANCHMSA-N 457.575 2.419 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865025669 BKKALMOVYMQDFX-OAQYLSRUSA-N 480.496 2.344 10 10 JECE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865031266 CYNUQBQGFAOJIH-NRFANRHFSA-N 499.527 2.491 10 10 JECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865034967 IJWHLZVLSHNUPT-OAQYLSRUSA-N 490.564 2.315 10 10 JECE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350702 BNYJIWXORLHPJF-UHFFFAOYSA-N 481.519 2.296 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3c(F)cccc3F)CC2)cc1 44441518 WBLLXUXFAYCENO-UHFFFAOYSA-N 454.499 2.247 10 10 JECE Cc1ccc(N2C(=O)/C(=C\N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)cc1Cl 208732871 BPNPTQWJFNPCRY-QINSGFPZSA-N 458.927 2.331 10 10 JECE CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(N(C)C)cc3)cc2C[C@@H]1C 15936376 GFBZCJYNXQQMGJ-INIZCTEOSA-N 458.584 2.035 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)N3CCCCCC3)c3ccccc32)SC1=S 1860827106 RZJGUOSQBZKMGT-HNENSFHCSA-N 473.576 2.482 10 10 JECE CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031906 QYJAISBABSKMOK-FQEVSTJZSA-N 475.549 2.357 10 10 JECE C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CS2 800366428 CNPCUWIMZDCLLZ-HOYKHHGWSA-N 464.499 2.398 10 10 JECE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1760602565 MJRGZKDQJURENQ-DVECYGJZSA-N 453.635 2.388 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(OC)cc4C)C3)CC2)cc1 1858401512 IHQHZHJGTDHDIV-IBGZPJMESA-N 473.595 2.372 10 10 JECE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865026543 PBTJYJNHMUVJOF-XMSQKQJNSA-N 494.523 2.468 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865028461 VNUPJBDNYUSHPH-HXUWFJFHSA-N 497.939 2.274 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871695055 SZSRBNMISJMGSV-UHFFFAOYSA-N 478.601 2.233 10 10 JECE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](O)COc2ccc(N)cc2)C1 2106769265 VYOKPNSFWSPHEH-OAQYLSRUSA-N 457.571 2.493 10 10 JECE COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 51319410 PQVHNOMRBHEJHX-UHFFFAOYSA-N 478.549 2.497 10 10 JECE CC(=O)N1C(=O)/C(=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c2ccccc21 208340992 LXOJYMPETVGJOU-FOCLMDBBSA-N 451.416 2.429 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1cccc(OC)c1O 247915841 MKHNGULJIRCDHF-GTPNXJITSA-N 496.516 2.274 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864009499 IKUCRAMHYJXALG-LJQANCHMSA-N 452.515 2.035 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010980 COXNMHIXBUTDBO-YUNKPMOVSA-N 484.940 2.496 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865028366 SUFKURZHCMOORJ-PGRDOPGGSA-N 476.533 2.329 10 10 JECE COc1cccc(OC)c1C(=O)N[C@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867368981 QNTGGODAJVCTGG-FGZHOGPDSA-N 498.624 2.204 10 10 JECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 103040589 WZVNSDRDRQFFNZ-DSQDWWTGSA-N 452.579 2.104 10 10 JECE COc1cc(N2CCC(NS(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 1858044227 LIBZELNPAOWJOY-UHFFFAOYSA-N 450.513 2.388 10 10 JECE CCn1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018885 DXZPWRITYFILAS-NRFANRHFSA-N 472.611 2.077 10 10 JECE COc1cc(C=C2SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc(OC)c1OC 2297331994 RZCYMSLMIGTTST-UHFFFAOYSA-N 453.567 2.133 10 10 JECE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33436382 ZLBSYGLDHNFFTF-VUVCFOEZSA-N 472.592 2.220 10 10 JECE CCOC(=O)COc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 918309921 GOCGZKVSASBXFQ-UHFFFAOYSA-N 455.511 2.062 10 10 JECE Cc1ccccc1C(=O)N[C@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867903467 KXFFXHJPYZBMMP-DNQXCXABSA-N 452.599 2.495 10 10 JECE COC(=O)COc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870448001 PJAJCIWCASFORI-UHFFFAOYSA-N 478.549 2.174 10 10 JECE Cc1ccc2nc(N3CCN(CCO)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2040499052 SORCTMMNWAABBS-UHFFFAOYSA-N 499.662 2.261 10 10 JECE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2 2106817282 ZOKPPRVPPUZMEX-UHFFFAOYSA-N 465.551 2.456 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(OC)ccc3OC(C)C)CC2)cc1 730679522 DYRGZIUZZWCTCK-UHFFFAOYSA-N 470.570 2.368 10 10 JECE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N=c4cc(C)o[nH]4)c4ccccn34)CC2)cc1 1858245776 RLNCWJFLJBOQFJ-UHFFFAOYSA-N 460.494 2.276 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)Cc4ccc(OC)c(OC)c4)C3)CC2)cc1 1858377550 AZGABWSDBNBFFI-FQEVSTJZSA-N 467.566 2.452 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010985 CQCZWYHVKBROMG-HXUWFJFHSA-N 484.940 2.498 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011973 OEDANACBZDKBKR-OAQYLSRUSA-N 481.528 2.163 10 10 JECE CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1865028352 SJAVDXMPCAOKGY-JOCHJYFZSA-N 492.532 2.426 10 10 JECE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)cc(OC)c1O 15044614 OASNVVNPLYSVLI-GDNBJRDFSA-N 468.553 2.372 10 10 JECE NC(=O)C1CCN(CC(=O)N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 102405372 IGDKJPUJYWHUIB-NBVRZTHBSA-N 488.573 2.245 10 10 JECE COC(=O)c1c(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865945771 AKQWOXGYZADZEU-CHWSQXEVSA-N 458.286 2.018 10 10 JECE CCN(CC)CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870450508 ZJJSMNWEVHEXEH-UHFFFAOYSA-N 486.613 2.073 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871629785 ZRLSKNFQMQSEFM-UHFFFAOYSA-N 475.557 2.043 10 10 JECE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33583778 IHYJZFHWNVPRCV-LUYJPIOASA-N 462.597 2.423 10 10 JECE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3nccs3)c3ccccc32)SC1=S 1860827114 SKHJMZGGCDDZBJ-PFONDFGASA-N 474.545 2.175 10 10 JECE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCCN1CCOCC1 2053499028 XKTAASHQHVEQLB-UHFFFAOYSA-N 484.441 2.489 10 10 JECE CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 9741641 ZCVAJKHRSVQHGS-HSZRJFAPSA-N 470.595 2.131 10 10 JECE O=C(N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 109874704 BCPMIXGWRFIWPT-XYOKQWHBSA-N 490.226 2.351 10 10 JECE O=C1NCCOCCOc2ccc(N3CCN(c4ccccn4)CC3)cc2CN2CCC[C@H]1C2 643572197 SCCBDQTUNVGTIP-NRFANRHFSA-N 465.598 2.145 10 10 JECE COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NC3CC3)[C@@H](C=CCO2)C1 958317599 GNEULHXKMQVOSX-WATLYSKOSA-N 496.652 2.473 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC(=O)O)C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762340 CRQTZCPRQBMSMH-CQSZACIVSA-N 492.506 2.282 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCCO)=C(N)O3)cc1 1864021997 ICFQCQPNZCNCJZ-HXUWFJFHSA-N 494.548 2.480 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871516000 MDLBTVCDIMWJSH-UHFFFAOYSA-N 466.565 2.485 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3F)N3CCOCC3)cc2)CC1 1638587231 LNQRIRBGACBJDO-XMMPIXPASA-N 454.546 2.184 10 10 JECE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2O)CC1 1722796504 LMNHIRIVUILUEY-UHFFFAOYSA-N 454.600 2.437 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864008964 VXJKBBDFRSGVGV-JEOXALJRSA-N 470.913 2.437 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864010387 LWZWFRAECIXLLR-LJQANCHMSA-N 450.495 2.039 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027062 FARQOMAHWONWIP-HSZRJFAPSA-N 489.576 2.428 10 10 JECE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2296707812 NMBMSTRHMUTXCZ-AWEZNQCLSA-N 460.581 2.441 10 10 JECE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028185 RHXYWUPLSGDQGR-QFIPXVFZSA-N 475.549 2.369 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1891653505 FYMIYPLTNLVPPL-JOCHJYFZSA-N 488.566 2.495 10 10 JECE CC(C)(C)OC(=O)NCCOCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953371 YGWLUZFQMXBDMY-INIZCTEOSA-N 483.562 2.191 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2 1865027815 LPANQMSALIWYHF-OAQYLSRUSA-N 461.522 2.183 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865034001 MXHOAZPLPYESOD-WFASDCNBSA-N 482.459 2.401 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1868789046 BPPQOQONGOWOCZ-QGZVFWFLSA-N 494.013 2.366 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)cc2)CC1 1632945300 NDSSMSPMMDZRRX-RTBURBONSA-N 451.571 2.294 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865384078 GFHMKFIDUVSELE-NRFANRHFSA-N 474.565 2.430 10 10 JECE NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874007028 QGJOZSXEHQKHAQ-UHFFFAOYSA-N 473.510 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN5CCCC5=O)ncnc4n3C)CC2)cc1 1875195273 WSUFCMRIXHCZIP-UHFFFAOYSA-N 491.596 2.364 10 10 JECE NC1=NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)S1 213225115 AIKRQDNSULPWPA-XSFVSMFZSA-N 495.586 2.489 10 10 JECE NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015879 FNDZGHWJWZNNFZ-HXUWFJFHSA-N 485.500 2.149 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(CC)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034631 AUSJQGWRNFLWJS-LJQANCHMSA-N 455.559 2.125 10 10 JECE CCOc1ccccc1NC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872636459 RACKDVAJPCUUBH-UHFFFAOYSA-N 495.536 2.386 10 10 JECE NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 678103 AXZDWQMSNSOZHK-LDADJPATSA-N 487.335 2.349 10 10 JECE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865027845 MHYMELMWKAWKCT-QFIPXVFZSA-N 476.533 2.329 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccc(O)c3)CC2)cc1 1865042361 VDJNWTNCBLHSOE-QFIPXVFZSA-N 475.549 2.486 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3C[C@@H](C)O)CC2)cc1 1870548468 DTFFEWVQXRXUJY-HXUWFJFHSA-N 459.587 2.364 10 10 JECE COc1ccc(Nc2nc(=NCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871563366 PZYJBZNCGNDZTH-UHFFFAOYSA-N 478.601 2.354 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)c3ccc(CN4C(=O)c5cccnc5C4=O)s3)CC2)cc1 9274242 GYCBZLQERDDDHR-UHFFFAOYSA-N 498.586 2.459 10 10 JECE CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 20604416 HIMPULDCAGBMPK-UHFFFAOYSA-N 491.610 2.374 10 10 JECE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468052 QFZLELBKXLSSCD-XMHGGMMESA-N 489.667 2.164 10 10 JECE O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1cc(Br)ccc1O)N[C@@]2(CC1CCCCC1)C(=O)O 247421811 RIYXMRVUTAYYBX-NARAOEGZSA-N 451.317 2.482 10 10 JECE COc1ccc(N2CCN(CCNC(=O)CCn3c(S)nc4ccccc4c3=O)CC2)cc1 742919648 BLVOQTODPSFTHG-UHFFFAOYSA-N 467.595 2.022 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 1076136269 OKOCAXPIBDFVIT-MTPHGBLSSA-N 465.481 2.143 10 10 JECE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865030568 MGCAOCBUEQECQK-NRFANRHFSA-N 494.523 2.332 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865033999 MXHOAZPLPYESOD-IUODEOHRSA-N 482.459 2.401 10 10 JECE COC(=O)COc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870450092 PFHUZFPFOAOOLW-UHFFFAOYSA-N 467.522 2.372 10 10 JECE CN(C)c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2040489752 GEUQTCWRJOUCJM-UHFFFAOYSA-N 460.537 2.075 10 10 JECE CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 33417681 HWLYUGWQMRLSMZ-SFQUDFHCSA-N 477.564 2.307 10 10 JECE CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C(=O)N(C)C1=O 1081105066 NNPHLDUFOKUFDF-IZZDOVSWSA-N 455.261 2.135 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864009597 BUGSVVDWCNIVKB-OAQYLSRUSA-N 491.548 2.183 10 10 JECE CC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868782598 ANFDYYUWCRLZOW-OAQYLSRUSA-N 494.013 2.366 10 10 JECE CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868789648 CLHVWSFPIOTWQW-XXBNENTESA-N 464.566 2.292 10 10 JECE CCO[C@H]1c2cc3c(CN(C)C)c(O)ccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 504625142 KQWVOLZADNLIFA-ZCYQVOJMSA-N 465.506 2.382 10 10 JECE in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725388223 VIOYVRIDZZMVTQ-KEWOFRHOSA-N 482.518 2.366 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)CC1 1154270947 FYIGBVVUHCHUIJ-GOSISDBHSA-N 456.493 2.303 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(CC)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 650149 GFHGOVBFVRPIAC-WLJFKGHSSA-N 479.606 2.389 10 10 JECE CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)ccc21 731407792 ZLFQQZQELZTZIR-HXUWFJFHSA-N 471.579 2.277 10 10 JECE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705517353 ULQXELKUQGXUAX-OAQYLSRUSA-N 471.627 2.457 10 10 JECE CCCOCCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827467 ZJLIUEGVYPURGA-ZCXUNETKSA-N 478.548 2.049 10 10 JECE CC[C@@H](NC(=O)c1cc(C)ccc1S(C)(=O)=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904602 JEXJMYHYNIYEMZ-OAQYLSRUSA-N 473.595 2.264 10 10 JECE CC(=O)Nc1cccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867644210 DEYWPEULJQUVRS-RPBOFIJWSA-N 495.624 2.145 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1869970925 UBBOBLKJDKGHQU-LJQANCHMSA-N 488.614 2.102 10 10 JECE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccco1 2297345448 XGRLRSQTHCDOKH-UHFFFAOYSA-N 474.476 2.129 10 10 JECE CCOc1ccc(N2CN=c3sc(=Cc4cc(OC)c(OC)c(OC)c4)c(=O)n3C2)cc1 254710107 IDBFJTHYEYVICM-UHFFFAOYSA-N 455.536 2.218 10 10 JECE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 1858595503 BTVFXFMCQZERFR-UWZYDCLUSA-N 466.537 2.063 10 10 JECE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008472 KXEZMZQGIVACMZ-SPLOXXLWSA-N 464.522 2.151 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009834 LKPCHDAUCZODQN-FQEVSTJZSA-N 478.505 2.420 10 10 JECE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864017354 KHSYVTFNNPMTRT-IBGZPJMESA-N 450.495 2.303 10 10 JECE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1 1866614733 KGAHLHRZKYRPSF-QFIPXVFZSA-N 497.507 2.318 10 10 JECE CCCNC(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679577 UKPWJEHVHGNNLX-UHFFFAOYSA-N 456.587 2.494 10 10 JECE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053511373 QEGNLOFZSZBXLJ-HUUCEWRRSA-N 474.608 2.464 10 10 JECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296885200 ICXKTODXZHFIEE-OAHLLOKOSA-N 468.622 2.322 10 10 JECE COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)c1O 248269429 YYHZBILJILDLMI-NUDCOPPTSA-N 497.504 2.419 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCN3C)CC1 1749770130 DUOLRGZONHYXJY-UHFFFAOYSA-N 467.618 2.294 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3cccn(Cc4ccc(F)cc4)c3=O)CC2)cc1 1862024491 FGELIKYPXGLLBF-UHFFFAOYSA-N 478.524 2.123 10 10 JECE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1865026705 REEROHWMGNKWRR-KRWDZBQOSA-N 473.530 2.040 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3CCCO)CC2)cc1 1870445412 CXAZTEIRDRSPPK-UHFFFAOYSA-N 487.597 2.282 10 10 JECE CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(N(C)C)cc3)cc2C[C@H]1C 15936375 GFBZCJYNXQQMGJ-MRXNPFEDSA-N 458.584 2.035 10 10 JECE COc1cccc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O 248160007 NVIXEUOIGJRIKQ-JXPHHVDKSA-N 474.897 2.017 10 10 JECE CCN1CCCc2cc(CN(CCCOC)C(=O)[C@H]3CCN(c4cnn(C)c(=O)c4)C3)ccc21 575314771 MNJVPDLHNFHVHU-QFIPXVFZSA-N 467.614 2.444 10 10 JECE CC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868818701 ULNQWHCQRYFAET-JOCHJYFZSA-N 478.553 2.142 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)OCc3ccccc3)CC2)cc1 1872626311 UCYBDLROKGJXFY-UHFFFAOYSA-N 466.494 2.092 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O 2296244749 XMUJTSUSXWGJEM-HXUWFJFHSA-N 462.531 2.482 10 10 JECE COc1ccc(C=C2SC(=S)N(CC(=O)OCCN3C(=O)CSC3=S)C2=O)cc1 2297708691 HQHIRAYPBJPVEH-UHFFFAOYSA-N 468.603 2.300 10 10 JECE CCc1cccc2c(C=C3C(=O)NC(=S)N(CCOC)C3=O)cn(CC(=O)N(CC)CC)c12 2297559506 ANRHCCIMDCWNQX-UHFFFAOYSA-N 470.595 2.345 10 10 JECE NCCCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 247706477 FHBZGTDBZHFEBI-KCESLBEFSA-N 457.914 2.448 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 727601989 HEFHQASEHFYAKM-LJQANCHMSA-N 489.642 2.128 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871588321 AEAUIMSZZIDGAL-QGZVFWFLSA-N 474.569 2.068 10 10 JECE CCCN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2296716914 CASMHJNPLNUCPL-UHFFFAOYSA-N 473.624 2.440 10 10 JECE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 727841758 GJQVVGMCWLZETI-UHFFFAOYSA-N 489.667 2.180 10 10 JECE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC12CCCCC2 1629882621 PRMYFZCPJGRGRL-NRFANRHFSA-N 455.603 2.465 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862046110 LFMZKRACYCIYBO-UHFFFAOYSA-N 456.499 2.469 10 10 JECE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010763 BMODWFXWFZGAGA-YUNKPMOVSA-N 484.940 2.496 10 10 JECE CCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870586135 WLYWKXFOQCDCPQ-UHFFFAOYSA-N 498.624 2.217 10 10 JECE CCCCCCOC(=O)COc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1872641529 IHJVJLFZCJZKHJ-UHFFFAOYSA-N 460.531 2.472 10 10 JECE CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254874303 JYWCHZIFXMCZBE-NRFANRHFSA-N 465.579 2.081 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 742939161 AWOVAWUHXWFCDH-QFIPXVFZSA-N 494.640 2.018 10 10 JECE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013217 SYEALVLTVNCLAT-HXUWFJFHSA-N 482.512 2.237 10 10 JECE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=NCc4ccco4)[nH]3)CC2)cc1 1871470746 AJLALLWBXJVDOE-UHFFFAOYSA-N 461.526 2.461 10 10 JECE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCN3CCCC3=O)cc1C2=O 1873907124 VVNIIFQVSXUOBI-UHFFFAOYSA-N 492.484 2.055 10 10 JECE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837384 RQMFPBISKVVUDK-NSHDSACASA-N 492.560 2.471 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)CCN1 106263344 PHUQMTHZINJVDZ-OAQYLSRUSA-N 462.575 2.342 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)CC2)cc1 742919055 BEKXCZBJXMHLKT-WOJBJXKFSA-N 453.587 2.256 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865026349 MDXXPXXVVYFERT-VGOFRKELSA-N 494.523 2.468 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)cc1 9681512 LNSHZHZLELRLME-GOSISDBHSA-N 462.572 2.050 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)cc2)CC1 1466882393 KWNYVHUPMCIBHC-JOCHJYFZSA-N 457.619 2.439 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4ccc(F)cc4)C3)CC2)cc1 1858409080 OXZSYTHASKCDOR-LJQANCHMSA-N 461.559 2.335 10 10 JECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)COc3ccccc3)cc2)cc1 1859005758 ZTIMGLQMNRMTFE-UHFFFAOYSA-N 469.519 2.484 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864017778 VARXICDXJHTWHE-NRFANRHFSA-N 493.564 2.227 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026941 UEAIBIPPVJYIBD-HXUWFJFHSA-N 484.940 2.450 10 10 JECE COC(=O)C1CCN(C(=O)COC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 11674502 LZUNTROOJYRMOX-SFQUDFHCSA-N 494.566 2.372 10 10 JECE COCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871692739 MDUKGQKHCHSUGR-UHFFFAOYSA-N 478.601 2.497 10 10 JECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc4nsnc34)CC2)cc1 9694108 YUZFEGHYTAPXGH-LJQANCHMSA-N 487.607 2.202 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)cc1 64775906 HGYGPTZLKHXSOC-UHFFFAOYSA-N 488.592 2.225 10 10 JECE CCCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861984450 CKQNLOYHULXLFW-QFIPXVFZSA-N 452.555 2.220 10 10 JECE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)C1 1865027415 XTQHLVGHSJFFRY-KXBFYZLASA-N 470.526 2.119 10 10 JECE Cc1cc(C=CC(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2040479899 CRDYUWBTZJAJKN-UHFFFAOYSA-N 450.539 2.259 10 10 JECE COc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256038868 SZZCYISJFTYFHY-VXKWHMMOSA-N 476.595 2.003 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC2)cc1 916233646 FZONOPGDSANYSQ-UHFFFAOYSA-N 467.614 2.495 10 10 JECE CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690827574 KARNRRAZOLSVGJ-UHFFFAOYSA-N 468.581 2.452 10 10 JECE NC1=C(C(=O)NCCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864014946 GSXOAYFTPYJLID-INIZCTEOSA-N 490.438 2.165 10 10 JECE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031690 MFNOHZSUKDVMQZ-IBGZPJMESA-N 478.505 2.214 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867856265 PMTHUOIVMIGPBT-XZOQPEGZSA-N 456.562 2.326 10 10 JECE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871532769 PFHLLKHLXUZWCF-UHFFFAOYSA-N 463.542 2.345 10 10 JECE COCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2296543688 YNXPOLALZQRISL-AWEZNQCLSA-N 460.581 2.441 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 726235648 FPMBLXUJDAPKNM-UHFFFAOYSA-N 453.587 2.153 10 10 JECE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731407247 UCSCKEYPRVGZAV-OAQYLSRUSA-N 471.579 2.494 10 10 JECE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@@H]2c1ccc(O)c(O)c1 1865031575 KAPFQUKDZTYBOH-LJQANCHMSA-N 477.521 2.010 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033223 VABBCZVQABCZSN-OAQYLSRUSA-N 476.533 2.458 10 10 JECE CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866589339 SNAKLGZTKJVHSU-KBXCAEBGSA-N 468.531 2.120 10 10 JECE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1596245507 PMCQCHGPIUSRKV-SFHVURJKSA-N 468.581 2.450 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864023465 ZIXAFDVSCPNMGX-RISCZKNCSA-N 468.432 2.323 10 10 JECE Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875387 SOAHPFZSXQTKSR-ISKFKSNPSA-N 497.596 2.403 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 1869008016 WUGVOZGNPJDUMI-UHFFFAOYSA-N 450.539 2.028 10 10 JECE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865025693 BWGYUEGQUPLPAH-QFIPXVFZSA-N 490.564 2.236 10 10 JECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(CC)CC1)[C@H]2c1ccc(O)c(O)c1 1865034630 AUSJQGWRNFLWJS-IBGZPJMESA-N 455.559 2.125 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865035176 NDUPZAJXGOQEBK-VFNWGFHPSA-N 491.548 2.166 10 10 JECE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)NC3CCCC3)c3ccccc32)SC1=S 2326944881 YUKXPFHGNGBBIR-UHFFFAOYSA-N 459.549 2.138 10 10 JECE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4cc(C(=O)O)ccc4n3)CC2)cc1 1858512408 NXCGMDOOGOLCQG-UHFFFAOYSA-N 454.508 2.483 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026481 JZAQNFWGNGNJIS-OAQYLSRUSA-N 461.522 2.061 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1869927778 ANOTYESMKPVUPP-NRFANRHFSA-N 468.579 2.347 10 10 JECE COC(=O)COc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870448738 IMHGRQGJGKFIJP-UHFFFAOYSA-N 495.580 2.018 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718613 MVNNDLHJBZDHGT-UHFFFAOYSA-N 464.574 2.051 10 10 JECE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)cc(F)c2O)[C@H](S(C)(=O)=O)C1 2192658429 BPDDXWNNDVMTRB-ZIAGYGMSSA-N 467.357 2.416 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 10069884 YSVFFFRLYZWHDA-UHFFFAOYSA-N 482.946 2.139 10 10 JECE CC(=O)OC[C@@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 221655767 NXSDPOSAOAWHFZ-VSSNEEPJSA-N 475.669 2.181 10 10 JECE COc1cccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859005353 AXXNVVDTGVLLOV-UHFFFAOYSA-N 499.545 2.492 10 10 JECE CCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870575080 RUVFQRCUJJDBNU-UHFFFAOYSA-N 470.599 2.432 10 10 JECE CC(=O)NCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163964 FQOBYQGYSVWMSS-UHFFFAOYSA-N 457.534 2.495 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 11796511 SIFZZERFSQQLDQ-UHFFFAOYSA-N 476.555 2.184 10 10 JECE Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCc3ccc(N(C)C)cc3)c3cccnc32)cc1 35450448 JTOGBFMPBFBSMR-UHFFFAOYSA-N 457.534 2.297 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865033443 ZUWORUSZWFCJNT-OAQYLSRUSA-N 494.548 2.390 10 10 JECE COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 21754720 JUQRRXOYDULFGO-FQEVSTJZSA-N 450.580 2.167 10 10 JECE COc1ccc(CNc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066642 HUGZXRHMSLZVCB-IUXPMGMMSA-N 484.559 2.472 10 10 JECE CC(=O)N(C)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690770422 GQBZEBJKWADVMS-UHFFFAOYSA-N 452.538 2.436 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864017676 RJRMKDXETHWEJJ-XCLFUZPHSA-N 480.521 2.046 10 10 JECE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)CNC(=O)c3ccccc3)C2=O)c1 62050322 ZQPOMTPVRSGNFP-QGOAFFKASA-N 455.561 2.443 10 10 JECE COc1ccc(N2CCC(O)(CN3CC[C@@H](O)[C@](O)(COc4cc(F)ccc4F)C3)CC2)cc1 1615106268 LDNCYQGPUZFDTI-ILBGXUMGSA-N 478.536 2.181 10 10 JECE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(F)cc1 1860758366 FHWPKDPVKZEYBI-ZDUSSCGKSA-N 480.470 2.412 10 10 JECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865030505 LFANFDTUOCAGGH-HXUWFJFHSA-N 469.586 2.371 10 10 JECE CCCCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665634 DSXKPRBANOWFGZ-UHFFFAOYSA-N 456.587 2.494 10 10 JECE CCCNC(=O)COc1cn(CCCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870682293 ZTDOHWWKUYBHGS-UHFFFAOYSA-N 499.656 2.036 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498206 FITGUPDSNTZURY-UHFFFAOYSA-N 492.623 2.052 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314836436 FIAKQPAVVGPJAC-LLVKDONJSA-N 463.562 2.268 10 10 JECE CCc1nn(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc3occc3n12 8964958 QLTYXRPJVKGTCA-UHFFFAOYSA-N 492.580 2.142 10 10 JECE COc1ccc(N2CCN(CCCNC(=O)CCCN3C(=O)CCn4nc(C)cc43)CC2)cc1 20944006 YYYMQKCCTZDCQN-UHFFFAOYSA-N 468.602 2.046 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(CN4CCCCC4=O)c3)CC2)cc1 747991212 FQLWRLWJTMFPII-UHFFFAOYSA-N 493.608 2.085 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 1862128588 DSGLWETXIIWMLK-UHFFFAOYSA-N 472.973 2.322 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865029375 LUFUBBBJZFOYSK-HXUWFJFHSA-N 456.543 2.184 10 10 JECE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 16156255 HTBUPUZVYWJAKT-WQRHYEAKSA-N 476.470 2.284 10 10 JECE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCCC(=O)O 210447309 IQCGDYCUGROSIH-YBEGLDIGSA-N 459.505 2.490 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862045052 NHYGZIVWQLNMRD-NRFANRHFSA-N 486.550 2.476 10 10 JECE CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870575899 FDNOXSWIGPOEJD-UHFFFAOYSA-N 456.572 2.042 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871691371 KQZBGNDYFRYWCR-UHFFFAOYSA-N 479.585 2.484 10 10 JECE CC(=O)c1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037620 GLZWRCSTQIEHLS-XZOQPEGZSA-N 460.596 2.384 10 10 JECE CC(=O)c1cccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 256038345 NTZCCUAJRMOPPM-GOTSBHOMSA-N 460.596 2.384 10 10 JECE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865028984 CRHYXFWPZNDZPZ-NRFANRHFSA-N 494.548 2.390 10 10 JECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030283 HGUFXWNCJUECKY-KXBFYZLASA-N 456.543 2.335 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(O)cc3)CC2)cc1 1865110154 APUAPTCTPWZYOC-JOCHJYFZSA-N 475.549 2.486 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC)cc3Br)CC2)cc1 727226849 CGQZCLPZKKKHLA-UHFFFAOYSA-N 491.386 2.343 10 10 JECE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705900908 TZAQUFOGZPVKMW-UHFFFAOYSA-N 465.533 2.425 10 10 JECE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864019069 VJZLTWGYCKXSNH-LJQANCHMSA-N 484.940 2.362 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873170073 NHLQINXGJMMYKY-HSZRJFAPSA-N 478.593 2.275 10 10 JECE CCOCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2040400625 OAXKZVQCIHCLFH-UHFFFAOYSA-N 460.581 2.159 10 10 JECE Cc1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(O)c1C[C@@H]2O)C(=O)c1c(O)cc(O)cc1C3=O 14677536 QJLPWVUZFKETMK-NSHDSACASA-N 464.382 2.253 10 10 JECE biogenic COc1ccc(N2CCN(CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)cc1 742916434 IAHDVXKODTZKKS-AREMUKBSSA-N 487.604 2.370 10 10 JECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865030265 HBVIFVMGUFMWRW-LJQANCHMSA-N 483.569 2.075 10 10 JECE COc1ccc(N2CCN(C(=O)c3cc4c(NCCOCCO)ncnc4n3CC(C)C)CC2)cc1 1875212196 XUWSXRDTFZNVPS-UHFFFAOYSA-N 496.612 2.479 10 10 JECE COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(C(=O)O)c1OC 2314929091 GYWISDNTYPYGBX-UHFFFAOYSA-N 480.545 2.497 10 10 JECE COc1ccc(N2CCN(C(=O)CCCNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 8659906 LJHUVJCBWSWTMP-UHFFFAOYSA-N 497.621 2.329 10 10 JECE O=C(O)CN1C(=O)C(=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 2297450223 QGLHZICYIJSLGU-HNNXBMFYSA-N 468.512 2.385 10 10 JECE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc21 11857891 UXARWGPESNZWTG-UHFFFAOYSA-N 472.504 2.411 10 10 JECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCN1CCCS1(=O)=O 725760099 YUNRIQDCELSZDZ-SQFISAMPSA-N 473.667 2.271 10 10 JECE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015143 KEHGURFLUUSGAP-MRXNPFEDSA-N 490.438 2.414 10 10 JECE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865026052 IZZNEBKSRAUTNH-JOCHJYFZSA-N 493.539 2.259 10 10 JECE CN1C(=O)C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296727618 RFQUTIGBGNGVPM-VIFPVBQESA-N 473.395 2.184 10 10 JECE O=C1C[C@H](N2CCN(CCOCCO)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712946 UOUFGDXCBYEGSO-PSCYQSDVSA-N 451.527 2.360 10 10 JECE COc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3cnn(C)c3)CC2)cc1 238811247 AJDCEXRILWVGEQ-UHFFFAOYSA-N 479.566 2.499 10 10 JECE CCCNC(=O)COc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680310 BKNJBFPIBNKQTD-XMMPIXPASA-N 498.624 2.263 10 10 JECE COc1ccc(N2CCN(c3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871302885 XNHVHTHNAAOHDW-UHFFFAOYSA-N 485.526 2.111 10 10 JECE CCC(=O)N1CCN(CCNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC1 2297732959 JIQFITKJGIUWHH-UHFFFAOYSA-N 476.537 2.373 10 10 JECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248212412 DTPVZZHASVHARP-ZDQHKECQSA-N 468.506 2.218 10 10 JECE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015303 OCBIKDINYDLKKO-CQSZACIVSA-N 469.464 2.003 10 10 JECE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864019622 NUJZUYLXGCHDSJ-IBGZPJMESA-N 464.478 2.133 10 10 JECE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865026269 LFWAQDKFQCRIGD-HXUWFJFHSA-N 484.940 2.450 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)cc2)CC1 1616251956 MTZIODISNNZFBC-IRLDBZIGSA-N 459.587 2.498 10 10 JECE O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)NCCc1ccc(O)c(O)c1 1860358005 CVANQPHWRNANFS-IBGZPJMESA-N 468.485 2.320 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CCO)[C@@H]2c1ccc(O)c(O)c1 1865034449 WQXRZVPWAGFGFL-CQSZACIVSA-N 470.448 2.259 10 10 JECE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699967 YKRLAHSGHZEAKZ-UHFFFAOYSA-N 489.584 2.119 10 10 JECE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 15036208 FPLXISSZARWMOE-YVLHZVERSA-N 493.588 2.191 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1540974291 IWSYCGMNFOSBCT-INIZCTEOSA-N 480.548 2.236 10 10 JECE CC(=O)Nc1nnc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)s1 1858074561 LVAWOCPTZSQXFA-KRWDZBQOSA-N 452.606 2.068 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)C3)CC2)cc1 1858422602 XDNVMDLIERFTRB-HXUWFJFHSA-N 471.579 2.257 10 10 JECE CCC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862136651 OUDRBGOQVLIJSH-JOCHJYFZSA-N 488.610 2.314 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865028460 VNUPJBDNYUSHPH-FQEVSTJZSA-N 497.939 2.274 10 10 JECE CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546427 OOYACBYQWQTSQA-UHFFFAOYSA-N 491.596 2.124 10 10 JECE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1540974292 IWSYCGMNFOSBCT-MRXNPFEDSA-N 480.548 2.236 10 10 JECE CC(=O)Nc1nnc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)s1 1858074562 LVAWOCPTZSQXFA-QGZVFWFLSA-N 452.606 2.068 10 10 JECE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC[C@H](C)O)[C@H]2c1ccc(O)c(O)c1 1864017543 OOUSDLBEYUNCLY-DJJJIMSYSA-N 480.521 2.181 10 10 JECE Cc1ccc2nc(NCCOCCO)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2040499068 SSRORVXYJQNFQN-UHFFFAOYSA-N 462.597 2.281 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)CC2)cc1 743362564 FRQLEECPUPIHBB-OAQYLSRUSA-N 471.646 2.497 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1705961467 YDWQEYWDZZKJDM-IBGZPJMESA-N 450.591 2.406 10 10 JECE COc1ccc(N2CCN(c3nc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)n(C)n3)CC2)cc1 1869969159 HRVGKKPZYYMDGL-UHFFFAOYSA-N 482.457 2.219 10 10 JECE COCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2053497188 ZABFFOCILKIKTF-UHFFFAOYSA-N 470.580 2.241 10 10 JECE CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N2C(C)=O 15776055 YBXVPZNQPDTINT-QHCPKHFHSA-N 472.611 2.377 10 10 JECE O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1Cc1ccccc1 138250511 BGFKFJZQPNMPCI-HWRXOPEZSA-N 487.487 2.400 10 10 JECE CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)CCC(=O)NCC3)cc2)CC1 257178653 GUGFZMWPHZXOAG-RUZDIDTESA-N 492.668 2.258 10 10 JECE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864009596 BUGSVVDWCNIVKB-NRFANRHFSA-N 491.548 2.183 10 10 JECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2 1865028889 AKQYPHKJBCWTOB-DNVCBOLYSA-N 484.553 2.280 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865032183 XLYQIIKESYWEDT-LPHOPBHVSA-N 462.506 2.176 10 10 JECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688794 KYFUYYRNONZFGR-UHFFFAOYSA-N 465.558 2.243 10 10 JECE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 2323831192 BTVFXFMCQZERFR-AWEZNQCLSA-N 466.537 2.063 10 10 JECE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NCC2CC2)cc1 248039531 KGJXGPHFRBUKBD-ZLNRFVROSA-N 454.571 2.253 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 742919095 CONCQGVZJVDRTO-UHFFFAOYSA-N 450.499 2.341 10 10 JECE CC(=O)N1CC[C@@H](CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)C1 1508195294 AYOZUIAPPDLWFG-FQEVSTJZSA-N 467.618 2.128 10 10 JECE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865026365 MMFWMXLDARWAMM-HXUWFJFHSA-N 482.924 2.202 10 10 JECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865029370 LQWHHNTZUPYWPZ-IBGZPJMESA-N 455.559 2.033 10 10 JECE CCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870475792 PVHRHXDMMKBAMQ-UHFFFAOYSA-N 473.570 2.158 10 10 JECE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40938135 LTCMCNFSDGULRZ-GHRIWEEISA-N 464.565 2.079 10 10 JECE CCCn1ncc(N2CCC(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC2)cc1=O 581778830 TZHPFDNHMNWGLE-UHFFFAOYSA-N 453.587 2.365 10 10 JECE COC(=O)c1c(NC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860760648 BONRRHGCNIINNE-AWEZNQCLSA-N 476.507 2.500 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC)[C@@H]2c1ccc(O)c(O)c1 1864022828 RLGBRJSWGONJEM-CYBMUJFWSA-N 456.421 2.180 10 10 JECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)=C(N)O2 1865027871 MRRPGJKDALXYRK-LJQANCHMSA-N 499.568 2.350 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CC(O)C1)=C(N)O2 1865032870 NDZGARDVMAVQRG-FQEVSTJZSA-N 462.506 2.052 10 10 JECE Cc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867330900 KPBLULREVXQDLD-DNQXCXABSA-N 452.599 2.495 10 10 JECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 1872679848 SSUZFYUDISRSKP-UHFFFAOYSA-N 497.508 2.075 10 10 JECE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 2297345991 UQZWBKOBCDYBPS-UHFFFAOYSA-N 490.972 2.078 10 10 JECE COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 16915204 JIPVTCMTGTZRKL-MHWRWJLKSA-N 480.545 2.253 10 10 JECE CCn1nc(C)c(C=c2sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c1C 254737628 LJFOFUZRXQVZLL-QFIPXVFZSA-N 479.606 2.307 10 10 JECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1 1864015531 BMRXOBBTLSNGCS-LJQANCHMSA-N 464.522 2.472 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]2c1ccc(O)c(O)c1 1864022241 KXKVJKIJZHCRLQ-QMTHXVAHSA-N 470.448 2.161 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865030980 WHICYWJOTWPBRW-IBGZPJMESA-N 456.543 2.192 10 10 JECE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33812607 XGMKBOPSVIQBIU-RGEXLXHISA-N 489.667 2.428 10 10 JECE COc1ccc(N2CCN(C(=O)c3snc(C(=O)NCc4ccc5c(c4)OCO5)c3N)CC2)cc1 65118322 VKJWXFABZRUGKC-UHFFFAOYSA-N 495.561 2.355 10 10 JECE Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCNCC3)C(=O)NC2=S)c(C)c1 220927902 MNZDMGBYEXNZJE-QGOAFFKASA-N 465.535 2.453 10 10 JECE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865033869 JHNAUMZTLPDYOB-OAHLLOKOSA-N 498.458 2.439 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)N3CCc4sccc4C3)cc2)CC1 1567591244 BTHFWDGGXPONDI-UHFFFAOYSA-N 454.596 2.398 10 10 JECE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030601 MSMHBYQPMXDQSU-IERDGZPVSA-N 491.548 2.309 10 10 JECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2136253011 IQKHYKKFZFOXOA-GJZGRUSLSA-N 467.519 2.201 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cnc[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864021311 AITBCYNYRCZQAE-OAHLLOKOSA-N 492.458 2.500 10 10 JECE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028344 SHCATAFUDKEAPL-FQEVSTJZSA-N 497.939 2.274 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871479647 CONCDOAONGPXHR-UHFFFAOYSA-N 485.596 2.480 10 10 JECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN(C)C)ncnc21 1875203232 MXUYVYKYQANCEW-UHFFFAOYSA-N 451.575 2.396 10 10 JECE COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 15822437 CKULQYBYXVASMW-UHFFFAOYSA-N 486.638 2.440 10 10 JECE COC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 40845387 URBDKTABCIFZTJ-MSUUIHNZSA-N 453.501 2.123 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 743362529 FJQQRIPADWXHRJ-VWLOTQADSA-N 467.614 2.017 10 10 JECE COc1ccc(N2CCN(C(=O)CNC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1862151650 GTIHFTHJIZNYQD-BJMVGYQFSA-N 469.538 2.199 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864008721 QOSBYBXDYOZCAY-SFHVURJKSA-N 456.886 2.048 10 10 JECE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864022733 QEIVJQDFLDFZIV-IBGZPJMESA-N 480.521 2.354 10 10 JECE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865033998 MXHOAZPLPYESOD-DOMZBBRYSA-N 482.459 2.401 10 10 JECE CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 34388192 RFQUTIGBGNGVPM-TWLKNAOBSA-N 473.395 2.184 10 10 JECE O=C1CN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CCN1 106264516 KVRHBVLYJQSQMI-GZMUKRDFSA-N 464.610 2.446 10 10 JECE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009684 KKXCJSRCNSAADM-NRFANRHFSA-N 470.489 2.393 10 10 JECE CCC[C@@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869055926 ONWHOPXDTVBARL-DHIUTWEWSA-N 453.587 2.327 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCc3ccc(F)cc3)CC2)cc1 1870666572 SKPGSKQVGCVSQX-UHFFFAOYSA-N 494.567 2.425 10 10 JECE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOCCO)ncnc21 1875205855 AIEYRHCKLNUNQO-UHFFFAOYSA-N 482.585 2.233 10 10 JECE CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2 35963467 QUQRZQIRDOQPSH-LJQANCHMSA-N 455.515 2.109 10 10 JECE CNC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870567261 ZEXFOIHXAYGDCB-UHFFFAOYSA-N 456.587 2.350 10 10 JECE CNC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871018942 ZLKBOPVJZLVQHW-UHFFFAOYSA-N 463.538 2.465 10 10 JECE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(N)=O)c4ccccc43)SC2=S)cc1OC 2296727028 HYHZJKPEOCYWFS-UHFFFAOYSA-N 483.571 2.350 10 10 JECE COc1ccc(CCN2C(=O)NC(=O)C(=CNC3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 2296940827 VTSYFCGXNBVLOW-UHFFFAOYSA-N 492.576 2.463 10 10 JECE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 34255759 BVSMRXIPOQPSRI-WDMNMGCXSA-N 487.651 2.117 10 10 JECE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864012811 JTDFQDIWCUJWPY-YCRPNKLZSA-N 478.549 2.487 10 10 JECE COc1ccc(N2CCN(C(=O)CCc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 1890787656 YYFATSZKINUTIV-FQEVSTJZSA-N 460.600 2.150 10 10 JECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296147233 NRJCWSNIFQXTOM-LJQANCHMSA-N 450.426 2.148 10 10 JECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccn3)CC2)cc1 1865373840 NBBWLJDXDCROER-NRFANRHFSA-N 460.538 2.176 10 10 JECE CCOC(=O)COc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870693780 AUWYXARBGGLGGY-HSZRJFAPSA-N 485.581 2.300 10 10 JECE COCCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873590052 CDFBKPNSOFWYNU-NRFANRHFSA-N 494.596 2.322 10 10 JECE NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832147 AMSYLMDOBJJCGZ-HNNXBMFYSA-N 491.547 2.006 10 10 JECE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCN4CCOCC4)[C@H]3C2)cc1 245279121 DJIVOYZPRCASAL-AZGAKELHSA-N 480.609 2.020 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)cc2)CC1 1632945299 NDSSMSPMMDZRRX-OALUTQOASA-N 451.571 2.294 10 10 JECE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)cc1 1858038807 GLGGNHRDJVMOLJ-UHFFFAOYSA-N 474.583 2.256 10 10 JECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865028948 BTSRTJQABFYSOM-OXQOHEQNSA-N 456.543 2.471 10 10 JECE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032990 PHSKCRFTBSBUMH-NRFANRHFSA-N 478.549 2.440 10 10 JECE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865034515 YCCQXVJKJXFOHB-FZMZJTMJSA-N 468.432 2.011 10 10 JECE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)COc3ccccc3C2=O)N2CCCCC2)cc1 1866040151 XUWMRRUADZIAOD-JOCHJYFZSA-N 464.566 2.457 10 10 JECE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867136617 SXJGMHSAHDQSJN-GOSISDBHSA-N 471.425 2.038 10 10 JECE CC(=O)Nc1cccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867644208 DEYWPEULJQUVRS-LOSJGSFVSA-N 495.624 2.145 10 10 JECE COc1cc(/C=C2\SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 15036590 PXZGDOKFVGDZNQ-GDNBJRDFSA-N 468.553 2.372 10 10 JECE CCn1c(N2CCN(CCO)CC2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33468053 YBOBYYYCGCRVHU-XDHOZWIPSA-N 489.667 2.020 10 10 JECE Cc1ccc(N2C(=O)[C@@H](/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 103851230 FTACWOTWDBYNBJ-GWQWUEFDSA-N 496.545 2.181 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(F)c(C)cc3[N+](=O)[O-])cc2)CC1 1622027062 XRRZFUDFMMCTSB-UHFFFAOYSA-N 450.492 2.189 10 10 JECE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)=N2)cc1 1871288085 WMTXFDVAYBAPDW-KRWDZBQOSA-N 466.581 2.085 10 10 JECE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598571 ALKMPFVXTNMGDS-QFIPXVFZSA-N 461.570 2.385 10 10 JECE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2180463709 DVIDLXQQMIOLPE-QZTJIDSGSA-N 474.510 2.320 10 10 JECE COc1ccc(N2CCN(CCNC(=O)c3nnc4ccc(-c5ccccc5)nn34)CC2)cc1 33282408 WZMBYWGFIRDDIB-UHFFFAOYSA-N 457.538 2.352 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 254842073 XKEPLSLKPBYNAE-HSZRJFAPSA-N 493.585 2.491 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCC(CC(=O)N4CCCC4)CC3)CC2)cc1 742927950 AZQWCUHOSNGGDK-UHFFFAOYSA-N 457.619 2.251 10 10 JECE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)c(F)c1 1705571638 DRIIJTZSDODRLJ-UHFFFAOYSA-N 466.561 2.293 10 10 JECE CN(C)c1ccc([C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 1858074061 BGNQQQSIKWYWFE-QHCPKHFHSA-N 464.566 2.319 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3CCCO3)CC2)cc1 1862050115 WZTWLUFMUGUPDD-RPBOFIJWSA-N 495.576 2.176 10 10 JECE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCNC=O)=C(N)O2 1864008045 ARUKKUPKNOAGRC-HXUWFJFHSA-N 497.939 2.192 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1868785946 ZSUYOGWJNCNQQW-UHFFFAOYSA-N 494.013 2.366 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCc3ccccc3)CC2)cc1 1870665003 PUCVXFBATTVLHU-UHFFFAOYSA-N 476.577 2.286 10 10 JECE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CN1CCN(C(=O)c2ccco2)CC1 2297463397 OEFUDZPAMJZGSB-UHFFFAOYSA-N 489.351 2.132 10 10 JECE COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=O)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 2297639509 XXYOYPCHRJQHRH-QGZVFWFLSA-N 498.923 2.363 10 10 JECE O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 1076124124 BGFKFJZQPNMPCI-JVGMMHMTSA-N 487.487 2.400 10 10 JECE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 1443049393 PBMSFTRGWJTBGD-UITAMQMPSA-N 453.539 2.013 10 10 JECE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)CC1 1760574844 RKOROFIPYMXBGK-MRXNPFEDSA-N 463.633 2.315 10 10 JECE CCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33364107 FODFVFBGZWPVJG-DTQAZKPQSA-N 471.608 2.398 10 10 JECE CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@@H](CCC(=O)N2CCc4ccccc42)N3C)cc1 1616164963 YOLGUBGGAMTWAT-HYZYYIOASA-N 475.637 2.495 10 10 JECE CCN1CCC(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1861972664 YOLYKUSCEAXUOL-JOCHJYFZSA-N 462.660 2.314 10 10 JECE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCCCCO)CC2)cc1 1870360898 FRLVCJNGDGKMAH-UHFFFAOYSA-N 473.614 2.493 10 10 JECE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314827725 LEYHIDQGJMRPQO-UHFFFAOYSA-N 463.562 2.270 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 743431989 CBWZGINYFYSELM-UHFFFAOYSA-N 493.608 2.198 10 10 JECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864013421 BESKDORJWAPBRD-IBGZPJMESA-N 466.542 2.364 10 10 JECE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCO)[C@H]2c1ccc(O)c(O)c1 1864022926 RQXDGUKKNRXALE-AWEZNQCLSA-N 470.448 2.162 10 10 JECE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865033398 YSJSPLCIDJVZBC-NRFANRHFSA-N 492.532 2.408 10 10 JECE CCOC(=O)COc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870693781 AUWYXARBGGLGGY-QHCPKHFHSA-N 485.581 2.300 10 10 JECE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1cccc(OC)c1O 247915832 MKHNGULJIRCDHF-AHCFMSJYSA-N 496.516 2.274 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)cc3)CC2)cc1 743442153 CIWVKNZYXQZWMW-UHFFFAOYSA-N 461.360 2.335 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccccc3N3CCOCC3)cc2)CC1 1616251438 DXFZHTLNJVFONQ-UHFFFAOYSA-N 450.583 2.441 10 10 JECE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011972 OEDANACBZDKBKR-NRFANRHFSA-N 481.528 2.163 10 10 JECE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864017799 VKRUGKBBMUBUHX-VBKZILBWSA-N 464.522 2.346 10 10 JECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccccc3F)CC2)cc1 1872635384 SMWJCASDCDXVJC-UHFFFAOYSA-N 469.473 2.126 10 10 JECE COC(=O)C1CCN(C(=O)COC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)CC1 2052147254 LZUNTROOJYRMOX-UHFFFAOYSA-N 494.566 2.372 10 10 JECE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2297506118 CMOWGOYQCVXMST-CYBMUJFWSA-N 478.621 2.295 10 10 JECE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(NC(C)=O)cc4)c(=O)cc3O)CC2)cc1 1870129976 FCIHJPZJMMUXFY-UHFFFAOYSA-N 462.506 2.473 10 10 JECE COC(=O)COc1cn(CCCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870449066 NTCMBXIBCGCZCT-UHFFFAOYSA-N 487.597 2.284 10 10 JECE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2365470002 AARBFJPDAHWRSH-HOTGVXAUSA-N 483.562 2.190 10 10 JECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc4c3OC(F)(F)O4)cc2)CC1 1189192820 RJMCZPRMCGJXMS-UHFFFAOYSA-N 453.467 2.155 10 10 JECE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871633820 VZUYPOLXYOPWRQ-UHFFFAOYSA-N 488.600 2.222 10 10 JECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873170169 PUUKWBHTOSSFFL-UHFFFAOYSA-N 479.625 2.048 10 10 JECE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ncncc32)=C[C@H]1O 2136288297 HMERPNFNWBCXHI-GDBMZVCRSA-N 461.519 2.149 10 10 JECE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837383 RQMFPBISKVVUDK-LLVKDONJSA-N 492.560 2.471 10 10 JECE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 39989664 PUKXDPIJQVRZJD-XGHPXPSOSA-N 492.648 2.037 10 10 JECE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 254371977 LPRFOEDKVUKPAK-JOCHJYFZSA-N 463.559 2.483 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cccc(OC)c3)CC2)cc1 585203461 UJBSAVMJNYWTCE-UHFFFAOYSA-N 462.572 2.367 10 10 JECE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 725428908 ICUJXJIURISEPE-DEDYPNTBSA-N 486.531 2.178 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(Br)c3)CC2)cc1 743442207 DXQPZXJCBRDMAM-UHFFFAOYSA-N 461.360 2.335 10 10 JECE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1864007133 GNHWZWFGNOVNAJ-OAQYLSRUSA-N 472.505 2.369 10 10 JECE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864013056 PDTIAMCHDVJDGL-FQEVSTJZSA-N 482.512 2.237 10 10 JECE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027750 KLYPOACWMYFBMZ-NRFANRHFSA-N 478.505 2.154 10 10 JECE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865033355 XXENUQQLNBZOJH-OAQYLSRUSA-N 478.549 2.359 10 10 JECE O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34 14827345 BPAOAXAAABIQKR-UHFFFAOYSA-N 470.298 2.215 10 10 JECE biogenic CCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988005 ZDWGKCGVMXMJQW-SQFISAMPSA-N 458.565 2.259 10 10 JECE CC(=O)[C@H](/N=N/c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)Nc1ccc2c(c1)=NC(=O)N=2 504629719 UTQQVKFFYRDFGH-OROHLICZSA-N 497.471 2.091 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)NCCCc3ccccc3)CC2)cc1 585200560 IRHBNJPJOFQNGO-UHFFFAOYSA-N 474.627 2.469 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2)cc1 742939300 CRMUDIWETAXSCM-MHZLTWQESA-N 494.684 2.495 10 10 JECE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 1456624568 GPMSRSPLCCZREO-UHFFFAOYSA-N 459.549 2.492 10 10 JECE CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(-c4ccc(F)c(F)c4)c3C)cc2)CC1 1567592243 RGJKWGVOEHTJMT-UHFFFAOYSA-N 454.481 2.452 10 10 JECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCCO)=C(N)O3)cc1 1864021996 ICFQCQPNZCNCJZ-FQEVSTJZSA-N 494.548 2.480 10 10 JECE COc1ccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(O)cc2=O)cc1 1866268589 AXTYZDWKUHWHGB-QFIPXVFZSA-N 474.521 2.266 10 10 JECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCC(N4CCN(C)CC4)CC3)CC2)cc1 1869060437 RXNOGLRXRWKZRN-UHFFFAOYSA-N 485.673 2.045 10 10 JECE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 33389597 QYUQJXGNGJTOKG-XMHGGMMESA-N 489.667 2.071 10 10 JECE COc1ccc(N2CCN(CCNC(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)cc1 742947571 GZQABBDNLWAFQJ-UHFFFAOYSA-N 453.587 2.358 10 10 JECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-n4nc(C)cc4C)c3)CC2)cc1 743432002 CWQCYSSHIZVLMG-UHFFFAOYSA-N 476.581 2.375 10 10 JECE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4cccc(OC)c4)[nH]3)CC2)cc1 1858540431 FBZRJTBPTONYDI-UHFFFAOYSA-N 463.538 2.439 10 10 JECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864018631 PLCUUBZHIRMIPH-YWZLYKJASA-N 477.521 2.231 10 10 JECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CC[C@@H]3CCS(=O)(=O)C3)c3ccccc3)CC2)cc1 1868822876 GXYZPLMUGNJVHS-NLFFAJNJSA-N 499.633 2.416 10 10 JECE CCCCOC(=O)COc1cn(C[C@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870764408 IRLMXCCORNNNRZ-FQEVSTJZSA-N 487.597 2.282 10 10 JECE COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 20331992 BNYJIWXORLHPJF-HEEWOVASSA-N 481.519 2.296 10 10 JECE CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 20609333 JYBFGSCWHLWGJJ-JBCNATCCSA-N 488.569 2.187 10 10 JECE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33571883 FDAJGGAAYXJVGT-HKJJFUAXSA-N 471.608 2.396 10 10 JECE COc1ccc(N2CCN(CCNC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)cc1 743358215 GBHFWZJOLBMJBR-UHFFFAOYSA-N 477.491 2.378 10 10 JECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865035358 ROANIHJCTOEHIU-KRWDZBQOSA-N 487.557 2.294 10 10 JECE CCOC(=O)Oc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C)cc1 1869969423 MYPSUIKALNRHMB-UHFFFAOYSA-N 480.525 2.360 10 10 JECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccc(Cl)cc3)CC2)cc1 11796518 PCWYZBIGDVKWLK-UHFFFAOYSA-N 482.002 2.386 10 10 JECE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCCOC)C2=O)CC1 33441431 YOPDQZBOZKKOJA-NBVRZTHBSA-N 487.651 2.383 10 10 JECE CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 136599570 NXSDPOSAOAWHFZ-LZQZFOIKSA-N 475.669 2.181 10 10 JECE COC(=O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 164464534 URBDKTABCIFZTJ-WUKNDPDISA-N 453.501 2.123 10 10 JECE COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@H]3[C@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1 1616182450 WVWUZHHMPIMZQJ-NRRYGQPISA-N 493.652 2.231 10 10 JECE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)C(=O)O 1772761380 GZVREHUVNQBEKT-YTWPQICVSA-N 453.494 2.448 10 10 JECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864009439 HKFJLHSNIBAYEO-HXUWFJFHSA-N 466.542 2.356 10 10 JECE